#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 0.08 -3.46 3.02 -1.26 -3.02 115.26 110.62 1p88 n ASN 26 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 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 -0.29 -0.92 3.52 3.08 -1.97 -2.25 114.38 115.56 1p88 h ARG 27 Ca 0.00 0.02 0.26 0.00 0.07 0.00 0.00 59.98 60.33 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 -0.01 0.16 0.00 -1.07 0.00 0.00 179.97 179.05 1p88 h ALA 28 N -0.76 1.27 -0.01 0.04 0.00 -1.92 0.71 119.26 118.59 1p88 h ALA 28 Ca -0.03 0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 1p88 h ALA 28 Cb 0.41 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1p88 h ALA 28 CO 0.05 -0.54 -0.86 -0.07 0.00 0.00 0.00 179.25 177.83 1p88 h LEU 29 N 0.11 0.32 0.01 0.00 3.38 -1.79 -1.54 115.31 115.78 1p88 h LEU 29 Ca 0.58 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 1p88 h LEU 29 Cb 1.22 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1p88 h LEU 29 CO -0.77 1.03 -0.00 0.25 0.09 0.00 0.00 178.44 179.04 1p88 h LEU 30 N 0.14 -0.01 -1.32 1.67 5.85 0.46 -2.28 115.31 119.83 1p88 h LEU 30 Ca -0.05 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 58.14 1p88 h LEU 30 Cb 1.47 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1p88 h LEU 30 CO 0.13 0.47 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.34 1p88 h LEU 31 N -0.48 0.00 -0.73 2.25 3.38 0.07 0.13 115.31 119.92 1p88 h LEU 31 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1p88 h LEU 31 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1p88 h LEU 31 CO 0.00 0.29 0.08 0.00 0.09 0.00 0.00 178.44 178.91 1p88 h ALA 32 N 1.71 0.95 0.21 1.53 0.00 -1.16 -1.24 119.26 121.25 1p88 h ALA 32 Ca -0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 54.91 54.33 1p88 h ALA 32 Cb 0.66 -0.24 0.03 0.00 0.00 0.00 0.00 17.79 18.23 1p88 h ALA 32 CO 0.04 0.65 -1.37 0.00 0.00 0.00 0.00 179.25 178.57 1p88 h ALA 33 N 1.10 -0.07 0.00 0.00 0.00 -0.94 -3.18 119.26 116.17 1p88 h ALA 33 Ca 0.19 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1p88 h ALA 33 Cb 0.45 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1p88 h ALA 33 CO 0.02 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 -5.03 0.00 4.77 0.40 0.79 117.00 114.13 1p88 n LEU 34 Ca -0.18 0.17 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 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 -0.11 0.37 0.00 -1.33 0.00 0.00 177.39 176.88 1p88 s ALA 35 N -2.34 4.52 -0.30 -1.18 0.00 -0.48 -1.18 121.76 120.80 1p88 s ALA 35 Ca 0.13 -2.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.00 1p88 s ALA 35 Cb 0.08 -1.57 0.03 0.00 0.00 0.00 0.00 23.12 21.66 1p88 s ALA 35 CO 0.16 -0.94 0.05 -1.01 0.00 0.00 0.00 175.76 174.02 1p88 s HIS 36 N -2.73 3.19 0.00 0.00 3.76 0.19 0.15 115.29 119.85 1p88 s HIS 36 Ca 0.62 -1.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.15 1p88 s HIS 36 Cb -0.06 -2.21 0.00 0.00 1.11 0.00 0.00 32.58 31.42 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 4.78 2.46 3.58 -2.22 0.00 -1.26 -1.56 105.19 110.97 1p88 n GLY 37 Ca -0.14 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.41 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 -2.29 3.84 0.08 1.61 2.20 -1.25 0.29 119.74 124.23 1p88 s LYS 38 Ca 0.00 -0.05 0.10 0.00 -0.36 0.00 0.00 55.97 55.66 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 -0.43 -0.26 0.99 -0.36 0.00 0.00 175.35 175.29 1p88 s THR 39 N 2.19 2.26 -0.06 3.43 2.01 -0.83 -4.53 115.64 120.10 1p88 s THR 39 Ca 0.16 -1.53 -0.03 0.00 0.31 0.00 0.00 61.69 60.61 1p88 s THR 39 Cb -0.16 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 1p88 s THR 39 CO 0.11 0.25 0.08 -0.69 -0.69 0.00 0.00 174.62 173.68 1p88 s VAL 40 N -0.93 4.88 -0.23 3.82 1.01 0.35 -0.04 120.40 129.27 1p88 s VAL 40 Ca 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 1p88 s VAL 40 Cb -0.10 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.16 1p88 s VAL 40 CO 0.04 0.51 -0.11 -0.76 0.00 0.00 0.00 175.10 174.78 1p88 s LEU 41 N -1.27 2.87 0.12 3.92 2.01 0.23 0.22 118.68 126.78 1p88 s LEU 41 Ca 0.18 -0.85 0.04 0.00 0.01 0.00 0.00 54.13 53.51 1p88 s LEU 41 Cb -0.12 -1.59 -0.04 0.00 0.01 0.00 0.00 46.19 44.45 1p88 s LEU 41 CO 0.08 -0.09 0.12 0.28 1.01 0.00 0.00 176.35 177.75 1p88 s THR 42 N 1.29 4.59 -1.30 5.49 -1.32 0.25 -0.26 115.64 124.37 1p88 s THR 42 Ca 0.01 -0.88 0.00 0.00 -1.21 0.00 0.00 61.69 59.60 1p88 s THR 42 Cb -0.16 -3.28 0.00 0.00 -1.51 0.00 0.00 72.50 67.55 1p88 s THR 42 CO -0.07 0.01 0.00 -3.20 -2.21 0.00 0.00 174.62 169.15 1p88 n ASN 43 N 0.05 -4.45 -3.03 8.08 5.15 -0.81 0.93 115.26 121.17 1p88 n ASN 43 Ca -0.08 0.11 -0.02 0.00 -0.60 0.00 0.00 54.58 53.99 1p88 n ASN 43 Cb 0.53 -3.48 0.02 0.00 -0.53 0.00 0.00 39.78 36.32 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 -1.89 0.00 -4.39 1.20 4.77 0.39 -4.71 117.00 112.38 1p88 n LEU 44 Ca -0.16 -0.05 -0.33 0.00 -0.03 0.00 0.00 56.01 55.44 1p88 n LEU 44 Cb 0.57 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.45 1p88 n LEU 44 CO 0.20 -1.48 -0.45 -0.22 -1.33 0.00 0.00 177.39 174.11 1p88 s LEU 45 N 0.00 2.71 -1.02 2.23 2.96 -1.26 -4.80 118.68 119.51 1p88 s LEU 45 Ca 0.04 -0.31 -0.17 0.00 -0.22 0.00 0.00 54.13 53.47 1p88 s LEU 45 Cb -0.01 -1.60 0.14 0.00 0.50 0.00 0.00 46.19 45.22 1p88 s LEU 45 CO 0.04 0.20 1.24 -0.62 -1.32 0.00 0.00 176.35 175.88 1p88 s ASP 46 N 0.16 6.75 -0.23 3.68 2.15 -1.26 -4.47 116.67 123.45 1p88 s ASP 46 Ca -0.07 -2.30 -0.26 0.00 0.43 0.00 0.00 52.55 50.35 1p88 s ASP 46 Cb -0.15 -2.41 0.10 0.00 -0.30 0.00 0.00 42.92 40.16 1p88 s ASP 46 CO 0.05 -0.99 0.87 -0.55 -0.17 0.00 0.00 175.17 174.37 1p88 s SER 47 N 3.47 -0.58 0.48 -0.34 0.15 -1.26 -5.01 113.70 110.61 1p88 s SER 47 Ca 0.36 1.00 0.39 0.00 0.70 0.00 0.00 55.95 58.40 1p88 s SER 47 Cb -0.04 0.97 1.34 0.00 -1.71 0.00 0.00 66.02 66.58 1p88 s SER 47 CO -0.07 -0.27 1.27 -0.90 1.20 0.00 0.00 173.24 174.47 1p88 n ASP 48 N 2.02 0.00 -0.27 5.45 5.75 -1.26 0.19 116.55 128.44 1p88 n ASP 48 Ca -0.14 0.80 -0.05 0.00 -0.01 0.00 0.00 54.79 55.39 1p88 n ASP 48 Cb 0.56 -0.38 0.06 0.00 -1.03 0.00 0.00 41.12 40.33 1p88 n ASP 48 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1p88 h ASP 49 N 0.00 0.87 0.09 -1.12 2.03 -1.93 0.23 116.42 116.59 1p88 h ASP 49 Ca 0.73 -0.05 -0.17 0.00 -0.73 0.00 0.00 57.03 56.81 1p88 h ASP 49 Cb 3.06 -0.22 0.01 0.00 -0.83 0.00 0.00 39.33 41.35 1p88 h ASP 49 CO -0.01 0.66 -0.80 0.58 -1.03 0.00 0.00 179.24 178.64 1p88 h VAL 50 N 1.00 1.42 -1.01 4.15 2.07 0.19 -1.48 116.25 122.59 1p88 h VAL 50 Ca 0.26 -2.44 0.24 0.00 0.82 0.00 0.00 66.70 65.58 1p88 h VAL 50 Cb -0.06 3.06 -0.11 0.00 -1.52 0.00 0.00 31.29 32.66 1p88 h VAL 50 CO -0.05 0.66 0.61 -0.09 0.02 0.00 0.00 177.57 178.72 1p88 h ARG 51 N -0.55 0.58 0.04 1.57 9.65 -1.13 0.65 114.38 125.19 1p88 h ARG 51 Ca -0.16 -0.03 -0.23 0.00 -1.10 0.00 0.00 59.98 58.46 1p88 h ARG 51 Cb 1.50 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.93 1p88 h ARG 51 CO 0.07 0.38 -1.04 0.45 2.80 0.00 0.00 179.97 182.63 1p88 h HIS 52 N 0.59 0.24 -0.90 2.20 3.86 -0.59 1.31 115.15 121.86 1p88 h HIS 52 Ca 0.62 -0.16 0.14 0.00 -1.16 0.00 0.00 60.37 59.81 1p88 h HIS 52 Cb 1.19 -0.01 -0.07 0.00 1.06 0.00 0.00 27.41 29.58 1p88 h HIS 52 CO -0.01 1.08 0.58 1.98 0.86 0.00 0.00 177.93 182.42 1p88 h MET 53 N 0.05 0.70 0.15 2.45 1.85 0.13 3.79 114.93 124.06 1p88 h MET 53 Ca -0.06 -0.04 -0.21 0.00 -0.61 0.00 0.00 59.70 58.78 1p88 h MET 53 Cb 1.76 -0.16 0.02 0.00 0.43 0.00 0.00 31.60 33.65 1p88 h MET 53 CO 0.15 0.46 -0.95 -0.07 -0.40 0.00 0.00 176.91 176.11 1p88 h LEU 54 N 0.72 0.51 -1.37 3.39 3.38 -0.44 -3.13 115.31 118.37 1p88 h LEU 54 Ca 0.45 -0.94 0.04 0.00 0.09 0.00 0.00 57.88 57.52 1p88 h LEU 54 Cb 0.69 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1p88 h LEU 54 CO -0.21 1.45 0.46 -1.13 0.09 0.00 0.00 178.44 179.11 1p88 h ASN 55 N -0.31 0.70 -0.42 -0.43 -1.24 0.47 1.44 115.58 115.80 1p88 h ASN 55 Ca -0.17 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.81 1p88 h ASN 55 Cb 1.72 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 40.59 1p88 h ASN 55 CO 0.16 0.47 0.16 0.00 -1.29 0.00 0.00 177.43 176.93 1p88 h ALA 56 N 1.60 0.55 -0.63 1.57 0.00 0.70 0.72 119.26 123.77 1p88 h ALA 56 Ca 0.29 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1p88 h ALA 56 Cb 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1p88 h ALA 56 CO -0.09 0.17 0.12 -0.07 0.00 0.00 0.00 179.25 179.39 1p88 h LEU 57 N 0.54 0.98 -1.81 0.00 4.07 -1.18 -1.50 115.31 116.42 1p88 h LEU 57 Ca 0.14 -0.25 -0.00 0.00 0.08 0.00 0.00 57.88 57.85 1p88 h LEU 57 Cb 0.22 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 1p88 h LEU 57 CO -0.01 0.98 0.10 0.74 -1.08 0.00 0.00 178.44 179.17 1p88 h THR 58 N 0.94 1.05 0.17 0.22 2.02 0.30 0.97 112.91 118.58 1p88 h THR 58 Ca 0.19 -0.11 -0.30 0.00 0.77 0.00 0.00 66.41 66.96 1p88 h THR 58 Cb 0.40 0.81 0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1p88 h THR 58 CO 0.01 0.05 -1.33 0.00 0.37 0.00 0.00 175.52 174.62 1p88 h ALA 59 N 1.88 -0.01 0.00 6.16 0.00 0.12 -3.26 119.26 124.16 1p88 h ALA 59 Ca 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1p88 h ALA 59 Cb -0.01 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1p88 h ALA 59 CO -0.01 0.82 -0.12 1.28 0.00 0.00 0.00 179.25 181.21 1p88 n LEU 60 N -3.65 0.74 0.00 0.00 4.77 -0.64 -4.58 117.00 113.64 1p88 n LEU 60 Ca -0.12 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1p88 n LEU 60 Cb 1.04 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1p88 n LEU 60 CO 0.57 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1p88 n GLY 61 N 1.33 1.67 3.61 -0.72 0.00 0.31 -4.15 105.19 107.24 1p88 n GLY 61 Ca 0.05 0.00 -0.41 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 4.98 0.08 1.61 1.01 0.31 -4.98 120.40 121.41 1p88 s VAL 62 Ca 0.00 0.95 -0.26 0.00 0.00 0.00 0.00 61.98 62.68 1p88 s VAL 62 Cb 0.00 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 1p88 s VAL 62 CO 0.00 -0.04 0.79 -0.55 0.00 0.00 0.00 175.10 175.30 1p88 s SER 63 N 1.57 7.29 0.27 3.32 0.15 -1.26 -4.18 113.70 120.87 1p88 s SER 63 Ca 0.25 1.54 -0.21 0.00 0.70 0.00 0.00 55.95 58.23 1p88 s SER 63 Cb -0.15 -2.49 0.03 0.00 -1.71 0.00 0.00 66.02 61.69 1p88 s SER 63 CO 0.10 0.06 0.75 -0.72 1.20 0.00 0.00 173.24 174.63 1p88 s TYR 64 N -0.34 -0.17 0.04 3.44 1.13 -1.26 0.18 117.35 120.37 1p88 s TYR 64 Ca 0.39 -0.28 0.03 0.00 -1.41 0.00 0.00 57.07 55.80 1p88 s TYR 64 Cb -0.22 0.71 -0.02 0.00 -1.10 0.00 0.00 41.96 41.33 1p88 s TYR 64 CO 0.25 -1.21 -0.10 0.99 -2.51 0.00 0.00 175.55 172.96 1p88 s THR 65 N -3.78 0.76 -0.07 -3.49 2.01 0.54 -4.94 115.64 106.67 1p88 s THR 65 Ca 0.11 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 61.15 1p88 s THR 65 Cb -0.05 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 1p88 s THR 65 CO 0.07 -0.21 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.38 1p88 s LEU 66 N -1.34 2.45 0.00 4.42 2.96 -1.26 0.28 118.68 126.19 1p88 s LEU 66 Ca -0.04 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 1p88 s LEU 66 Cb -0.09 -1.49 0.00 0.00 0.50 0.00 0.00 46.19 45.12 1p88 s LEU 66 CO 0.01 0.27 0.00 -1.20 -1.32 0.00 0.00 176.35 174.11 1p88 n SER 67 N 2.80 -1.38 -0.00 3.68 7.64 0.32 -4.92 113.62 121.75 1p88 n SER 67 Ca -0.17 -0.05 -0.11 0.00 1.01 0.00 0.00 58.87 59.55 1p88 n SER 67 Cb 0.52 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.58 1p88 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1p88 h ALA 68 N -2.00 0.64 0.00 -0.43 0.00 -2.00 -3.30 119.26 112.16 1p88 h ALA 68 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 54.91 53.55 1p88 h ALA 68 Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1p88 h ALA 68 CO 0.00 1.47 0.00 -0.25 0.00 0.00 0.00 179.25 180.47 1p88 n ASP 69 N -3.17 0.00 -2.22 0.00 9.92 -1.26 -4.86 116.55 114.96 1p88 n ASP 69 Ca -0.17 -0.94 -0.18 0.00 -0.53 0.00 0.00 54.79 52.98 1p88 n ASP 69 Cb 1.04 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.49 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 -0.94 -1.78 0.00 -1.24 1.74 -1.25 -4.77 116.66 108.42 1p88 n ARG 70 Ca 0.17 0.90 0.00 0.00 -0.77 0.00 0.00 57.85 58.15 1p88 n ARG 70 Cb 0.08 -5.48 0.00 0.00 -1.02 0.00 0.00 32.46 26.04 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 -3.43 0.00 -3.98 0.55 -2.24 -1.26 -4.34 114.28 99.58 1p88 n THR 71 Ca -0.20 -0.28 -0.35 0.00 -2.27 0.00 0.00 64.05 60.95 1p88 n THR 71 Cb 0.64 0.91 -0.14 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.72 3.44 -0.08 -0.78 0.52 -1.25 0.15 118.95 120.23 1p88 s ARG 72 Ca 0.00 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 54.62 1p88 s ARG 72 Cb 0.00 -3.02 0.02 0.00 0.52 0.00 0.00 34.95 32.47 1p88 s ARG 72 CO 0.00 -0.14 -0.08 0.00 0.02 0.00 0.00 175.30 175.11 1p88 s GLU 74 N 1.24 3.64 -0.11 0.00 2.12 0.14 0.76 118.70 126.50 1p88 s GLU 74 Ca -0.05 -0.47 0.01 0.00 0.36 0.00 0.00 54.97 54.82 1p88 s GLU 74 Cb -0.14 -2.96 0.02 0.00 0.26 0.00 0.00 34.13 31.31 1p88 s GLU 74 CO -0.02 0.31 -0.11 0.42 -0.54 0.00 0.00 175.26 175.31 1p88 s ILE 75 N 0.19 1.24 -0.57 -3.70 1.01 0.94 0.20 121.20 120.51 1p88 s ILE 75 Ca -0.00 -0.46 -0.27 0.00 0.00 0.00 0.00 60.65 59.92 1p88 s ILE 75 Cb -0.13 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1p88 s ILE 75 CO 0.02 0.40 1.92 0.27 0.00 0.00 0.00 174.94 177.55 1p88 s ILE 76 N 1.30 3.33 0.32 2.92 -0.00 0.47 -1.97 121.20 127.58 1p88 s ILE 76 Ca -0.02 0.21 -0.22 0.00 -0.00 0.00 0.00 60.65 60.62 1p88 s ILE 76 Cb -0.14 -3.81 -0.15 0.00 -0.00 0.00 0.00 42.46 38.36 1p88 s ILE 76 CO -0.05 -0.76 0.20 0.61 -0.00 0.00 0.00 174.94 174.94 1p88 n GLY 77 N 5.71 -2.31 0.01 6.27 0.00 0.84 -4.01 105.19 111.70 1p88 n GLY 77 Ca 0.22 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.45 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 2.11 0.56 0.00 1.61 5.15 0.24 -4.19 115.26 120.74 1p88 n ASN 78 Ca 0.12 -0.21 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 1p88 n ASN 78 Cb 0.34 0.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.90 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 0.68 0.00 8.20 0.00 0.38 -4.89 105.19 111.03 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 -2.62 0.35 3.63 -0.02 0.00 -0.33 -4.80 105.19 101.41 1p88 n GLY 80 Ca 0.00 -1.36 -0.50 0.00 0.00 0.00 0.00 46.02 44.16 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 1.51 -2.51 1.61 -0.04 -1.26 -4.09 135.00 130.21 1p88 n PRO 81 Ca 0.00 0.55 -0.43 0.00 -0.04 0.00 0.00 63.50 63.58 1p88 n PRO 81 Cb 0.00 -2.24 -0.02 0.00 -0.04 0.00 0.00 33.50 31.20 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 1.05 3.88 0.07 1.53 2.01 -1.26 -4.89 118.68 121.07 1p88 s LEU 82 Ca 0.84 1.08 -0.27 0.00 0.01 0.00 0.00 54.13 55.80 1p88 s LEU 82 Cb -0.87 -3.54 -0.06 0.00 0.01 0.00 0.00 46.19 41.74 1p88 s LEU 82 CO 0.46 -1.03 0.83 -1.38 1.01 0.00 0.00 176.35 176.24 1p88 s HIS 83 N 4.13 3.77 -0.23 0.29 -3.43 -1.26 -4.90 115.29 113.66 1p88 s HIS 83 Ca 0.52 1.58 -0.14 0.00 -0.80 0.00 0.00 55.06 56.22 1p88 s HIS 83 Cb -0.14 -2.89 -0.04 0.00 -1.43 0.00 0.00 32.58 28.07 1p88 s HIS 83 CO 0.21 0.26 0.32 0.00 -2.00 0.00 0.00 174.74 173.53 1p88 s ALA 84 N -0.09 3.57 -0.04 -1.38 0.00 -1.26 -4.41 121.76 118.15 1p88 s ALA 84 Ca 0.41 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 51.34 1p88 s ALA 84 Cb -0.21 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1p88 s ALA 84 CO 0.25 -0.38 1.38 -1.21 0.00 0.00 0.00 175.76 175.80 1p88 s GLU 85 N 1.46 4.27 0.35 0.00 2.02 -1.26 -4.66 118.70 120.88 1p88 s GLU 85 Ca 0.14 1.90 0.00 0.00 0.02 0.00 0.00 54.97 57.03 1p88 s GLU 85 Cb -0.15 -3.65 0.00 0.00 0.10 0.00 0.00 34.13 30.43 1p88 s GLU 85 CO 0.08 -0.61 0.00 0.41 0.02 0.00 0.00 175.26 175.15 1p88 n GLY 86 N 3.66 -1.93 3.77 -1.39 0.00 -1.26 -4.67 105.19 103.37 1p88 n GLY 86 Ca 0.13 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.38 3.13 0.28 4.61 0.00 -1.26 -4.63 121.76 121.52 1p88 s ALA 87 Ca 0.00 0.81 0.09 0.00 0.00 0.00 0.00 51.96 52.86 1p88 s ALA 87 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1p88 s ALA 87 CO 0.00 -0.33 0.02 -1.17 0.00 0.00 0.00 175.76 174.28 1p88 s LEU 88 N -2.50 3.20 -0.26 0.00 2.96 0.42 -4.96 118.68 117.53 1p88 s LEU 88 Ca 0.57 -0.68 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1p88 s LEU 88 Cb -0.26 -1.70 0.11 0.00 0.50 0.00 0.00 46.19 44.84 1p88 s LEU 88 CO 0.32 -0.06 0.19 -1.61 -1.32 0.00 0.00 176.35 173.88 1p88 s GLU 89 N -3.70 0.22 -0.26 1.98 2.02 -1.26 0.22 118.70 117.92 1p88 s GLU 89 Ca 0.33 -0.24 -0.12 0.00 0.02 0.00 0.00 54.97 54.95 1p88 s GLU 89 Cb -0.05 -1.09 -0.05 0.00 0.10 0.00 0.00 34.13 33.04 1p88 s GLU 89 CO 0.20 -0.92 0.25 -0.51 0.02 0.00 0.00 175.26 174.30 1p88 s LEU 90 N 2.22 4.07 -0.68 1.80 1.02 0.39 -4.89 118.68 122.61 1p88 s LEU 90 Ca 0.08 0.16 -0.17 0.00 0.02 0.00 0.00 54.13 54.22 1p88 s LEU 90 Cb -0.15 -2.24 0.14 0.00 0.02 0.00 0.00 46.19 43.96 1p88 s LEU 90 CO -0.28 -0.05 0.74 -0.36 0.02 0.00 0.00 176.35 176.41 1p88 s PHE 91 N 1.58 3.22 -0.68 0.29 0.40 -1.26 0.03 117.98 121.56 1p88 s PHE 91 Ca 0.10 -1.29 0.03 0.00 -0.60 0.00 0.00 56.93 55.17 1p88 s PHE 91 Cb -0.15 -3.97 0.35 0.00 0.51 0.00 0.00 43.02 39.75 1p88 s PHE 91 CO 0.08 -1.21 1.24 1.28 0.70 0.00 0.00 175.22 177.31 1p88 n LEU 92 N 5.68 5.36 -0.03 -0.37 7.99 0.41 -4.85 117.00 131.18 1p88 n LEU 92 Ca -0.01 -5.50 -0.10 0.00 -0.01 0.00 0.00 56.01 50.39 1p88 n LEU 92 Cb 0.44 -0.71 -0.04 0.00 -0.11 0.00 0.00 43.42 43.00 1p88 n LEU 92 CO 0.51 2.24 0.93 1.23 -1.51 0.00 0.00 177.39 180.79 1p88 h GLY 93 N 3.20 0.24 -0.81 -0.72 0.00 -1.84 -2.68 103.07 100.46 1p88 h GLY 93 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1p88 h GLY 93 CO 0.94 0.07 -0.16 -2.01 0.00 0.00 0.00 176.54 175.38 1p88 n ASN 94 N -4.99 1.91 -2.33 0.19 2.85 -1.26 -3.92 115.26 107.70 1p88 n ASN 94 Ca -0.04 -1.50 -0.26 0.00 -0.11 0.00 0.00 54.58 52.67 1p88 n ASN 94 Cb 0.04 0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.19 1p88 n ASN 94 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1p88 n ALA 95 N 0.26 6.03 0.20 5.20 0.00 -1.01 -4.48 120.51 126.71 1p88 n ALA 95 Ca 0.14 -2.79 0.18 0.00 0.00 0.00 0.00 53.44 50.97 1p88 n ALA 95 Cb 0.44 -1.84 0.77 0.00 0.00 0.00 0.00 19.45 18.83 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 3.13 0.00 1.13 0.00 0.00 -1.75 1.00 103.07 106.58 1p88 h GLY 96 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1p88 h GLY 96 CO 1.00 0.00 -0.83 -0.91 0.00 0.00 0.00 176.54 175.80 1p88 h THR 97 N 0.00 0.00 0.00 4.70 1.35 -1.93 -3.35 112.91 113.68 1p88 h THR 97 Ca 0.11 -0.90 -0.24 0.00 -0.55 0.00 0.00 66.41 64.82 1p88 h THR 97 Cb 0.89 1.47 -0.05 0.00 -1.73 0.00 0.00 68.15 68.73 1p88 h THR 97 CO -0.00 0.00 -2.12 0.00 -0.25 0.00 0.00 175.52 173.15 1p88 n ALA 98 N -2.10 1.90 -0.16 6.62 0.00 0.30 -4.16 120.51 122.90 1p88 n ALA 98 Ca 0.01 -0.99 -0.09 0.00 0.00 0.00 0.00 53.44 52.37 1p88 n ALA 98 Cb 0.53 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1p88 n ALA 98 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1p88 h MET 99 N 0.00 0.70 0.56 0.00 -1.53 -0.22 0.27 114.93 114.72 1p88 h MET 99 Ca -0.34 -0.15 -0.03 0.00 -3.44 0.00 0.00 59.70 55.74 1p88 h MET 99 Cb 1.82 -0.10 0.01 0.00 -0.55 0.00 0.00 31.60 32.77 1p88 h MET 99 CO 0.03 0.67 -0.27 0.00 0.14 0.00 0.00 176.91 177.48 1p88 h ARG 100 N 0.60 -0.73 -0.20 0.39 -0.00 -1.77 0.81 114.38 113.47 1p88 h ARG 100 Ca 0.15 0.05 -0.01 0.00 -0.50 0.00 0.00 59.98 59.67 1p88 h ARG 100 Cb 0.26 0.17 -0.01 0.00 0.00 0.00 0.00 29.97 30.38 1p88 h ARG 100 CO -0.01 -0.47 0.07 -1.35 0.00 0.00 0.00 179.97 178.21 1p88 h PRO 101 N -0.79 0.28 0.09 0.04 0.11 -1.69 -1.96 132.00 128.07 1p88 h PRO 101 Ca -0.08 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1p88 h PRO 101 Cb 0.60 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1p88 h PRO 101 CO 0.13 0.24 -0.04 -0.07 -0.21 0.00 0.00 178.00 178.04 1p88 h LEU 102 N 0.28 -0.10 -1.96 2.35 3.38 -0.04 0.29 115.31 119.50 1p88 h LEU 102 Ca 0.07 -0.49 0.21 0.00 0.09 0.00 0.00 57.88 57.76 1p88 h LEU 102 Cb 0.08 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1p88 h LEU 102 CO -0.01 0.54 0.58 0.00 0.09 0.00 0.00 178.44 179.64 1p88 h ALA 103 N -0.18 2.60 0.00 1.53 0.00 0.76 -0.84 119.26 123.13 1p88 h ALA 103 Ca -0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1p88 h ALA 103 Cb 0.58 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1p88 h ALA 103 CO 0.02 -0.95 -0.66 0.00 0.00 0.00 0.00 179.25 177.66 1p88 h ALA 104 N 1.52 0.11 -0.01 0.00 0.00 -1.32 -3.31 119.26 116.25 1p88 h ALA 104 Ca 0.34 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1p88 h ALA 104 Cb 1.50 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 1p88 h ALA 104 CO -0.00 0.43 0.01 0.00 0.00 0.00 0.00 179.25 179.69 1p88 h ALA 105 N -0.59 1.82 0.00 0.00 0.00 0.16 -2.28 119.26 118.37 1p88 h ALA 105 Ca -0.15 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1p88 h ALA 105 Cb 0.87 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1p88 h ALA 105 CO -0.09 -0.02 -0.94 -0.07 0.00 0.00 0.00 179.25 178.13 1p88 h LEU 106 N 0.00 0.00 -0.23 0.00 3.38 -1.36 -3.23 115.31 113.88 1p88 h LEU 106 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 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 0.82 0.00 0.00 0.09 0.00 0.00 178.44 179.35 1p88 n LEU 108 N -0.35 1.96 0.00 0.00 4.77 -1.22 0.96 117.00 123.12 1p88 n LEU 108 Ca 0.00 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 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 2.30 -0.62 2.87 -0.72 0.00 -1.25 -2.18 105.19 105.60 1p88 n GLY 109 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 0.65 -0.12 1.61 1.04 -1.26 -0.39 113.70 113.81 1p88 s SER 110 Ca 0.00 -0.78 -0.11 0.00 0.48 0.00 0.00 55.95 55.54 1p88 s SER 110 Cb 0.00 0.93 0.03 0.00 0.10 0.00 0.00 66.02 67.09 1p88 s SER 110 CO 0.00 -0.32 0.33 0.20 0.98 0.00 0.00 173.24 174.42 1p88 s ASN 111 N 2.18 -0.34 -0.70 7.02 0.01 -1.25 -4.72 114.94 117.14 1p88 s ASN 111 Ca 0.12 0.66 -0.18 0.00 -0.71 0.00 0.00 52.86 52.75 1p88 s ASN 111 Cb -0.13 0.66 0.13 0.00 0.41 0.00 0.00 41.25 42.32 1p88 s ASN 111 CO -0.22 -0.12 0.81 -1.81 -1.51 0.00 0.00 177.10 174.25 1p88 s ASP 112 N 0.25 6.37 0.04 -1.22 1.11 -1.11 -1.30 116.67 120.80 1p88 s ASP 112 Ca -0.01 -1.76 0.09 0.00 0.18 0.00 0.00 52.55 51.05 1p88 s ASP 112 Cb -0.03 -2.31 -0.03 0.00 1.07 0.00 0.00 42.92 41.62 1p88 s ASP 112 CO -0.00 -1.03 -0.24 -0.63 1.18 0.00 0.00 175.17 174.45 1p88 s ILE 113 N 2.31 2.31 -0.30 0.77 1.09 0.77 0.16 121.20 128.30 1p88 s ILE 113 Ca 0.17 -1.32 -0.06 0.00 -1.10 0.00 0.00 60.65 58.35 1p88 s ILE 113 Cb -0.18 -1.91 0.02 0.00 -1.06 0.00 0.00 42.46 39.34 1p88 s ILE 113 CO 0.01 0.38 0.06 -0.69 -0.10 0.00 0.00 174.94 174.60 1p88 s VAL 114 N -0.82 3.70 -0.44 2.92 1.01 0.60 0.16 120.40 127.53 1p88 s VAL 114 Ca 0.12 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1p88 s VAL 114 Cb -0.10 -2.98 0.06 0.00 0.00 0.00 0.00 36.38 33.36 1p88 s VAL 114 CO 0.03 -0.00 0.32 -0.76 0.00 0.00 0.00 175.10 174.69 1p88 s LEU 115 N 1.43 5.31 0.00 3.92 1.43 0.52 0.15 118.68 131.44 1p88 s LEU 115 Ca 0.00 -1.24 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 1p88 s LEU 115 Cb -0.18 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 43.92 1p88 s LEU 115 CO 0.01 -0.55 0.01 0.41 0.23 0.00 0.00 176.35 176.46 1p88 n THR 116 N 5.11 0.00 -3.88 5.49 -1.04 0.10 -1.56 114.28 118.50 1p88 n THR 116 Ca -0.12 -0.54 -0.04 0.00 -2.04 0.00 0.00 64.05 61.32 1p88 n THR 116 Cb 0.44 0.13 0.02 0.00 -1.82 0.00 0.00 70.33 69.10 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 -1.61 0.16 1.07 3.41 0.00 -1.26 0.15 107.32 109.24 1p88 s GLY 117 Ca 0.01 -0.41 -0.15 0.00 0.00 0.00 0.00 44.72 44.17 1p88 s GLY 117 CO 0.01 2.09 1.12 -1.83 0.00 0.00 0.00 173.10 174.49 1p88 s GLU 118 N -2.17 -0.15 0.40 2.90 -1.05 -1.26 -4.73 118.70 112.64 1p88 s GLU 118 Ca 0.21 0.19 0.20 0.00 -0.15 0.00 0.00 54.97 55.42 1p88 s GLU 118 Cb -0.03 -1.70 1.16 0.00 -0.44 0.00 0.00 34.13 33.12 1p88 s GLU 118 CO 0.06 -3.05 1.74 -1.00 0.95 0.00 0.00 175.26 173.96 1p88 h PRO 119 N -2.11 0.33 0.00 -4.83 0.13 -2.02 0.63 132.00 124.12 1p88 h PRO 119 Ca -0.50 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 1p88 h PRO 119 Cb 1.31 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1p88 h PRO 119 CO 0.48 0.22 -0.19 0.07 -0.23 0.00 0.00 178.00 178.35 1p88 h ARG 120 N 0.34 0.00 -0.54 0.86 0.11 -1.91 -2.11 114.38 111.13 1p88 h ARG 120 Ca 0.65 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.72 1p88 h ARG 120 Cb 1.70 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.76 1p88 h ARG 120 CO -0.34 0.19 0.33 1.98 0.10 0.00 0.00 179.97 182.22 1p88 h MET 121 N 0.00 0.72 0.00 0.08 4.05 0.15 0.63 114.93 120.57 1p88 h MET 121 Ca -0.00 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1p88 h MET 121 Cb 0.51 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1p88 h MET 121 CO 0.02 0.51 0.00 0.87 0.23 0.00 0.00 176.91 178.54 1p88 h LYS 122 N 0.74 0.00 -0.01 0.39 6.56 -1.41 0.22 116.57 123.06 1p88 h LYS 122 Ca 0.19 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.78 1p88 h LYS 122 Cb -0.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.63 1p88 h LYS 122 CO -0.04 0.00 -0.05 -1.91 -2.06 0.00 0.00 179.45 175.40 1p88 n GLU 123 N -2.58 1.09 -3.78 3.15 2.13 0.21 -4.43 120.64 116.44 1p88 n GLU 123 Ca -0.01 -0.40 -0.29 0.00 0.66 0.00 0.00 57.16 57.12 1p88 n GLU 123 Cb 0.10 -1.49 -0.13 0.00 0.27 0.00 0.00 31.44 30.19 1p88 n GLU 123 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1p88 s ARG 124 N -2.18 1.71 0.61 5.31 3.00 0.77 -5.11 118.95 123.05 1p88 s ARG 124 Ca 0.37 -2.50 -0.19 0.00 0.00 0.00 0.00 55.73 53.41 1p88 s ARG 124 Cb 0.21 -2.74 -0.03 0.00 0.00 0.00 0.00 34.95 32.39 1p88 s ARG 124 CO 0.40 -1.21 1.24 -0.35 0.00 0.00 0.00 175.30 175.38 1p88 n PRO 125 N 2.96 1.24 0.00 3.54 -0.04 -1.26 -4.33 135.00 137.11 1p88 n PRO 125 Ca 0.13 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1p88 n PRO 125 Cb 0.36 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 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 -1.60 0.00 -0.19 0.52 0.13 0.17 -4.76 119.36 113.64 1p88 n ILE 126 Ca 0.14 -0.42 0.15 0.00 -1.10 0.00 0.00 62.75 61.52 1p88 n ILE 126 Cb 0.47 1.15 0.49 0.00 -0.84 0.00 0.00 39.64 40.90 1p88 n ILE 126 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 1p88 h GLY 127 N 0.00 0.79 0.86 4.50 0.00 -1.78 -0.59 103.07 106.85 1p88 h GLY 127 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.18 1p88 h GLY 127 CO 0.00 0.06 0.66 0.45 0.00 0.00 0.00 176.54 177.71 1p88 h HIS 128 N 0.45 1.24 -0.03 5.60 3.86 -1.87 -0.76 115.15 123.63 1p88 h HIS 128 Ca 0.39 0.03 -0.25 0.00 -1.16 0.00 0.00 60.37 59.38 1p88 h HIS 128 Cb 0.87 -0.41 0.02 0.00 1.06 0.00 0.00 27.41 28.95 1p88 h HIS 128 CO -0.00 0.70 -0.97 1.25 0.86 0.00 0.00 177.93 179.77 1p88 h LEU 129 N 1.27 0.86 -0.34 2.43 5.85 -1.51 -2.61 115.31 121.26 1p88 h LEU 129 Ca 0.41 -0.66 0.04 0.00 0.84 0.00 0.00 57.88 58.51 1p88 h LEU 129 Cb 0.02 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1p88 h LEU 129 CO -0.13 1.46 0.11 0.58 -0.34 0.00 0.00 178.44 180.12 1p88 h VAL 130 N 0.40 0.89 -0.25 1.05 2.07 -0.59 0.30 116.25 120.13 1p88 h VAL 130 Ca -0.11 -0.09 -0.18 0.00 0.82 0.00 0.00 66.70 67.15 1p88 h VAL 130 Cb 1.61 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1p88 h VAL 130 CO 0.19 0.05 -0.55 0.44 0.02 0.00 0.00 177.57 177.72 1p88 h ASP 131 N 0.26 0.84 -0.53 0.57 3.32 -1.23 0.86 116.42 120.50 1p88 h ASP 131 Ca 0.16 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1p88 h ASP 131 Cb 0.13 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1p88 h ASP 131 CO -0.17 1.22 0.35 0.00 -1.72 0.00 0.00 179.24 178.92 1p88 h ALA 132 N 0.80 0.68 0.01 3.45 0.00 -1.04 0.84 119.26 123.99 1p88 h ALA 132 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1p88 h ALA 132 Cb 1.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1p88 h ALA 132 CO 0.11 0.13 -0.00 -0.07 0.00 0.00 0.00 179.25 179.42 1p88 h LEU 133 N 0.72 -0.01 -2.11 0.00 3.38 -0.30 -3.10 115.31 113.89 1p88 h LEU 133 Ca 0.19 -0.76 0.05 0.00 0.09 0.00 0.00 57.88 57.45 1p88 h LEU 133 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1p88 h LEU 133 CO -0.04 0.77 0.15 0.03 0.09 0.00 0.00 178.44 179.44 1p88 h ARG 134 N -0.79 0.00 -0.05 1.13 2.47 0.86 0.24 114.38 118.24 1p88 h ARG 134 Ca -0.00 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.63 1p88 h ARG 134 Cb 0.77 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.08 1p88 h ARG 134 CO 0.00 0.00 -0.36 1.25 0.56 0.00 0.00 179.97 181.42 1p88 h LEU 135 N 0.00 0.10 -0.46 3.04 5.85 0.73 -1.94 115.31 122.63 1p88 h LEU 135 Ca 0.09 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1p88 h LEU 135 Cb 0.38 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1p88 h LEU 135 CO -0.00 0.46 0.00 0.61 -0.34 0.00 0.00 178.44 179.17 1p88 n GLY 136 N -0.41 -0.10 0.77 3.75 0.00 0.80 -4.79 105.19 105.20 1p88 n GLY 136 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.43 0.72 3.80 -0.02 0.00 -0.74 -0.16 105.19 109.23 1p88 n GLY 137 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1p88 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p88 s ALA 138 N -2.37 2.74 -0.47 4.61 0.00 -0.89 -3.21 121.76 122.17 1p88 s ALA 138 Ca 0.00 0.45 -0.15 0.00 0.00 0.00 0.00 51.96 52.26 1p88 s ALA 138 Cb 0.00 -3.24 0.08 0.00 0.00 0.00 0.00 23.12 19.95 1p88 s ALA 138 CO 0.00 -0.77 0.39 0.15 0.00 0.00 0.00 175.76 175.53 1p88 s LYS 139 N -3.93 2.93 -0.05 0.00 1.02 0.66 -4.17 119.74 116.21 1p88 s LYS 139 Ca 0.65 -1.40 -0.00 0.00 0.02 0.00 0.00 55.97 55.23 1p88 s LYS 139 Cb -0.17 -4.11 0.03 0.00 -0.52 0.00 0.00 37.83 33.06 1p88 s LYS 139 CO 0.34 -1.05 -0.01 0.42 -0.92 0.00 0.00 175.35 174.14 1p88 s ILE 140 N 1.61 0.32 -0.02 2.17 1.01 -1.26 -1.49 121.20 123.54 1p88 s ILE 140 Ca 0.04 0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.83 1p88 s ILE 140 Cb -0.25 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 1p88 s ILE 140 CO 0.06 0.21 -0.21 -0.89 0.00 0.00 0.00 174.94 174.11 1p88 s THR 141 N 1.45 1.62 0.05 2.92 2.01 -0.49 -4.94 115.64 118.27 1p88 s THR 141 Ca -0.03 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 60.79 1p88 s THR 141 Cb -0.13 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.99 1p88 s THR 141 CO -0.03 0.46 0.99 -0.31 -0.69 0.00 0.00 174.62 175.04 1p88 s TYR 142 N -0.48 3.71 0.00 4.92 2.02 -1.26 -0.06 117.35 126.19 1p88 s TYR 142 Ca 0.08 1.72 0.00 0.00 -0.37 0.00 0.00 57.07 58.50 1p88 s TYR 142 Cb -0.08 -3.11 0.00 0.00 -0.40 0.00 0.00 41.96 38.37 1p88 s TYR 142 CO -0.01 0.00 0.00 1.28 -1.57 0.00 0.00 175.55 175.26 1p88 n LEU 143 N 3.40 0.08 0.00 -1.29 4.32 -1.26 -4.91 117.00 117.34 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 0.50 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 1p88 n LEU 143 CO 0.52 0.00 0.23 -0.62 -1.22 0.00 0.00 177.39 176.29 1p88 n GLU 144 N -0.20 0.00 -4.42 3.23 1.02 -1.26 -4.84 120.64 114.17 1p88 n GLU 144 Ca 0.00 0.06 -0.29 0.00 -0.02 0.00 0.00 57.16 56.90 1p88 n GLU 144 Cb 0.00 -0.95 -0.12 0.00 -0.02 0.00 0.00 31.44 30.35 1p88 n GLU 144 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1p88 s GLN 145 N -0.90 1.69 0.27 3.49 -0.21 -1.26 -5.08 119.66 117.65 1p88 s GLN 145 Ca 0.00 -1.21 -0.30 0.00 0.02 0.00 0.00 55.36 53.88 1p88 s GLN 145 Cb 0.00 -2.04 -0.11 0.00 1.00 0.00 0.00 33.01 31.86 1p88 s GLN 145 CO 0.00 0.48 1.49 -1.21 -2.12 0.00 0.00 175.29 173.93 1p88 s GLU 146 N -1.96 4.22 -1.57 2.91 2.02 -1.26 -1.60 118.70 121.46 1p88 s GLU 146 Ca 0.16 2.40 0.00 0.00 0.02 0.00 0.00 54.97 57.55 1p88 s GLU 146 Cb -0.10 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1p88 s GLU 146 CO 0.08 -0.49 0.00 0.09 0.02 0.00 0.00 175.26 174.95 1p88 n ASN 147 N 2.22 -4.78 -4.77 -0.19 4.13 -1.26 -4.86 115.26 105.75 1p88 n ASN 147 Ca 0.07 0.36 -0.23 0.00 1.68 0.00 0.00 54.58 56.46 1p88 n ASN 147 Cb 0.39 -3.58 -0.06 0.00 -1.54 0.00 0.00 39.78 34.99 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 -2.55 2.65 0.04 3.10 1.51 -0.63 0.45 117.35 121.92 1p88 s TYR 148 Ca 0.00 -0.53 -0.08 0.00 -1.01 0.00 0.00 57.07 55.45 1p88 s TYR 148 Cb 0.00 -1.97 -0.02 0.00 -0.11 0.00 0.00 41.96 39.86 1p88 s TYR 148 CO 0.00 0.13 0.70 -2.30 -1.11 0.00 0.00 175.55 172.97 1p88 n PRO 149 N -1.31 -0.11 -1.55 -1.71 -0.02 -1.26 -4.33 135.00 124.71 1p88 n PRO 149 Ca -0.00 0.69 -0.40 0.00 -2.02 0.00 0.00 63.50 61.77 1p88 n PRO 149 Cb 0.63 -1.03 0.02 0.00 -0.02 0.00 0.00 33.50 33.11 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 -3.55 0.96 -3.67 0.52 -0.02 -1.07 -4.30 135.00 123.87 1p88 n PRO 150 Ca 0.01 0.35 -0.12 0.00 -2.02 0.00 0.00 63.50 61.72 1p88 n PRO 150 Cb 0.07 -1.87 -0.08 0.00 -0.02 0.00 0.00 33.50 31.60 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 0.04 -0.38 -0.45 2.45 1.43 -0.60 -4.01 118.68 117.16 1p88 s LEU 151 Ca 0.66 1.22 -0.09 0.00 -1.03 0.00 0.00 54.13 54.88 1p88 s LEU 151 Cb -0.53 2.01 0.10 0.00 0.03 0.00 0.00 46.19 47.80 1p88 s LEU 151 CO 0.55 -0.21 0.30 -0.13 0.23 0.00 0.00 176.35 177.10 1p88 s ARG 152 N 0.73 2.53 0.12 1.70 0.52 0.91 -0.36 118.95 125.09 1p88 s ARG 152 Ca -0.03 -1.62 -0.11 0.00 -0.52 0.00 0.00 55.73 53.44 1p88 s ARG 152 Cb -0.05 -3.86 -0.06 0.00 0.52 0.00 0.00 34.95 31.50 1p88 s ARG 152 CO -0.05 -1.08 0.47 -0.51 0.02 0.00 0.00 175.30 174.14 1p88 s LEU 153 N 1.39 4.33 0.00 2.53 1.43 0.42 -1.40 118.68 127.38 1p88 s LEU 153 Ca 0.04 0.90 0.08 0.00 -1.03 0.00 0.00 54.13 54.12 1p88 s LEU 153 Cb -0.25 -3.15 0.13 0.00 0.03 0.00 0.00 46.19 42.95 1p88 s LEU 153 CO 0.01 0.13 0.94 0.00 0.23 0.00 0.00 176.35 177.66 1p88 n GLN 154 N 0.77 0.00 0.00 1.70 6.02 -0.42 -0.16 117.38 125.29 1p88 n GLN 154 Ca -0.06 -1.08 0.00 0.00 -0.01 0.00 0.00 57.00 55.85 1p88 n GLN 154 Cb 0.52 -0.04 0.00 0.00 1.02 0.00 0.00 30.24 31.74 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 0.15 -0.23 0.00 1.08 0.00 -1.23 -3.80 105.19 101.15 1p88 n GLY 155 Ca -0.04 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 1.72 3.68 -0.02 0.00 0.47 -0.25 105.19 110.80 1p88 n GLY 156 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1p88 n GLY 156 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1p88 n PHE 157 N -0.74 2.51 -0.01 1.61 -0.00 0.27 -3.78 117.46 117.32 1p88 n PHE 157 Ca 0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 57.45 57.25 1p88 n PHE 157 Cb 0.00 -2.74 -0.03 0.00 -0.00 0.00 0.00 39.48 36.71 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 5.03 0.19 0.00 -2.13 -2.24 0.77 -4.51 114.28 111.40 1p88 n THR 158 Ca 0.20 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1p88 n THR 158 Cb 0.37 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 2.58 0.81 0.00 3.38 0.00 0.71 0.19 105.19 112.86 1p88 n GLY 159 Ca -0.05 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 2.48 3.59 -0.02 0.00 -0.79 -4.09 105.19 106.36 1p88 n GLY 160 Ca 0.00 -1.78 -0.58 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 1.93 -4.60 1.61 3.02 -1.26 -3.75 115.26 112.20 1p88 n ASN 161 Ca 0.00 0.89 -0.34 0.00 -0.03 0.00 0.00 54.58 55.10 1p88 n ASN 161 Cb 0.00 -1.09 -0.11 0.00 -0.61 0.00 0.00 39.78 37.97 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 4.66 3.97 -0.26 2.41 1.01 0.51 -4.79 120.40 127.92 1p88 s VAL 162 Ca 1.05 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 62.58 1p88 s VAL 162 Cb -1.15 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1p88 s VAL 162 CO 0.65 0.58 0.11 -1.81 0.00 0.00 0.00 175.10 174.62 1p88 s ASP 163 N -0.60 5.39 -0.11 3.32 1.01 -1.26 -0.66 116.67 123.77 1p88 s ASP 163 Ca 0.09 -0.18 -0.01 0.00 0.71 0.00 0.00 52.55 53.17 1p88 s ASP 163 Cb -0.12 -1.98 0.03 0.00 1.01 0.00 0.00 42.92 41.86 1p88 s ASP 163 CO 0.02 -0.05 -0.07 -0.69 0.21 0.00 0.00 175.17 174.59 1p88 s VAL 164 N 1.65 0.95 0.42 -1.27 1.01 -0.60 -4.47 120.40 118.09 1p88 s VAL 164 Ca 0.06 -0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.54 1p88 s VAL 164 Cb -0.15 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.15 1p88 s VAL 164 CO 0.06 0.35 1.44 -0.67 0.00 0.00 0.00 175.10 176.28 1p88 n ASP 165 N 4.97 3.44 0.26 3.32 -0.08 -1.26 -2.18 116.55 125.02 1p88 n ASP 165 Ca -0.12 1.16 0.11 0.00 -1.51 0.00 0.00 54.79 54.44 1p88 n ASP 165 Cb 0.50 -1.60 0.71 0.00 2.34 0.00 0.00 41.12 43.07 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 2.51 0.00 1.73 0.27 0.00 -0.41 -1.36 103.07 105.82 1p88 h GLY 166 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1p88 h GLY 166 CO 0.62 0.00 -0.14 -1.26 0.00 0.00 0.00 176.54 175.76 1p88 n SER 167 N -3.86 0.25 -4.73 0.19 2.88 -1.24 0.83 113.62 107.93 1p88 n SER 167 Ca -0.02 0.32 -0.36 0.00 -1.33 0.00 0.00 58.87 57.48 1p88 n SER 167 Cb 0.20 -0.34 0.07 0.00 -0.75 0.00 0.00 64.21 63.40 1p88 n SER 167 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1p88 s VAL 168 N -3.02 2.16 0.93 2.46 1.01 -0.51 -4.67 120.40 118.75 1p88 s VAL 168 Ca 0.13 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 1p88 s VAL 168 Cb 0.18 -2.95 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 1p88 s VAL 168 CO 0.59 -0.03 0.23 -0.24 0.00 0.00 0.00 175.10 175.65 1p88 n SER 169 N -2.06 -2.60 0.19 3.32 2.88 -1.26 -4.08 113.62 110.00 1p88 n SER 169 Ca 0.15 0.34 0.14 0.00 -1.33 0.00 0.00 58.87 58.17 1p88 n SER 169 Cb 0.49 -1.14 0.47 0.00 -0.75 0.00 0.00 64.21 63.28 1p88 n SER 169 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1p88 h SER 170 N -1.34 0.00 0.87 -3.46 0.02 -1.91 -2.96 113.55 104.76 1p88 h SER 170 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1p88 h SER 170 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1p88 h SER 170 CO 0.33 0.00 -0.60 0.00 -1.14 0.00 0.00 176.83 175.42 1p88 n GLN 171 N -2.67 0.28 -0.03 3.45 3.00 -1.26 -2.26 117.38 117.89 1p88 n GLN 171 Ca 0.03 0.09 -0.13 0.00 -0.01 0.00 0.00 57.00 56.97 1p88 n GLN 171 Cb 0.35 -1.68 -0.11 0.00 0.00 0.00 0.00 30.24 28.80 1p88 n GLN 171 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 1p88 h PHE 172 N 0.00 0.02 -0.22 1.08 -1.00 -1.87 0.05 116.94 115.01 1p88 h PHE 172 Ca 0.00 -0.01 -0.11 0.00 2.81 0.00 0.00 57.97 60.66 1p88 h PHE 172 Cb 0.74 -0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.29 1p88 h PHE 172 CO 0.00 0.64 -0.29 1.25 -1.61 0.00 0.00 178.31 178.30 1p88 h LEU 173 N -0.60 0.63 -1.55 1.54 6.46 -1.69 -2.79 115.31 117.31 1p88 h LEU 173 Ca -0.00 -0.51 0.09 0.00 -0.12 0.00 0.00 57.88 57.34 1p88 h LEU 173 Cb 0.64 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 1p88 h LEU 173 CO 0.00 1.01 0.42 0.74 -0.62 0.00 0.00 178.44 180.00 1p88 h THR 174 N 0.27 0.94 -0.74 1.05 2.02 -1.51 0.15 112.91 115.08 1p88 h THR 174 Ca 0.03 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1p88 h THR 174 Cb 0.86 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1p88 h THR 174 CO 0.07 0.10 0.23 0.00 0.37 0.00 0.00 175.52 176.28 1p88 h ALA 175 N 1.67 1.01 0.03 6.16 0.00 -0.71 -2.28 119.26 125.13 1p88 h ALA 175 Ca 0.29 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1p88 h ALA 175 Cb 0.44 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1p88 h ALA 175 CO -0.09 0.66 -0.97 -0.07 0.00 0.00 0.00 179.25 178.79 1p88 h LEU 176 N 1.10 0.35 -1.21 0.00 3.38 -0.94 -2.13 115.31 115.86 1p88 h LEU 176 Ca 0.24 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1p88 h LEU 176 Cb 0.31 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1p88 h LEU 176 CO -0.01 1.13 0.54 -0.07 0.09 0.00 0.00 178.44 180.12 1p88 h LEU 177 N 0.13 0.91 0.16 1.67 4.07 -0.49 0.65 115.31 122.41 1p88 h LEU 177 Ca -0.07 -0.02 -0.25 0.00 0.08 0.00 0.00 57.88 57.62 1p88 h LEU 177 Cb 1.63 -0.22 0.02 0.00 1.08 0.00 0.00 40.66 43.17 1p88 h LEU 177 CO 0.15 0.65 -1.17 0.24 -1.08 0.00 0.00 178.44 177.23 1p88 h MET 178 N 1.07 0.34 -0.13 1.13 2.86 -1.41 -3.35 114.93 115.43 1p88 h MET 178 Ca 0.31 -0.58 -0.15 0.00 -2.06 0.00 0.00 59.70 57.22 1p88 h MET 178 Cb -0.07 0.22 0.01 0.00 0.06 0.00 0.00 31.60 31.81 1p88 h MET 178 CO -0.08 1.28 -0.49 1.15 1.06 0.00 0.00 176.91 179.83 1p88 h THR 179 N -0.22 1.35 -0.91 2.22 2.02 -1.22 -3.34 112.91 112.81 1p88 h THR 179 Ca -0.22 -1.79 0.02 0.00 0.77 0.00 0.00 66.41 65.19 1p88 h THR 179 Cb 1.81 2.11 -0.05 0.00 -1.74 0.00 0.00 68.15 70.28 1p88 h THR 179 CO 0.15 0.54 0.60 0.00 0.37 0.00 0.00 175.52 177.19 1p88 h ALA 180 N 0.51 1.39 0.00 6.16 0.00 0.13 -2.32 119.26 125.12 1p88 h ALA 180 Ca -0.03 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1p88 h ALA 180 Cb 1.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1p88 h ALA 180 CO 0.10 0.54 -0.26 -1.00 0.00 0.00 0.00 179.25 178.63 1p88 h PRO 181 N 1.19 0.00 -0.04 0.00 0.13 -1.70 0.12 132.00 131.71 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 -0.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.07 1p88 h PRO 181 CO -0.09 0.26 0.00 1.28 -0.23 0.00 0.00 178.00 179.22 1p88 n LEU 182 N -3.99 0.75 -4.74 1.56 4.77 -0.90 0.19 117.00 114.64 1p88 n LEU 182 Ca -0.02 -0.28 -0.40 0.00 -0.03 0.00 0.00 56.01 55.28 1p88 n LEU 182 Cb 0.33 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 1p88 n LEU 182 CO 0.36 0.14 0.53 0.00 -1.33 0.00 0.00 177.39 177.09 1p88 s ALA 183 N -1.96 3.34 0.49 -1.18 0.00 0.43 -4.37 121.76 118.52 1p88 s ALA 183 Ca 0.38 0.39 0.29 0.00 0.00 0.00 0.00 51.96 53.01 1p88 s ALA 183 Cb 0.19 -3.08 1.38 0.00 0.00 0.00 0.00 23.12 21.61 1p88 s ALA 183 CO 0.30 0.06 1.82 -1.00 0.00 0.00 0.00 175.76 176.94 1p88 h PRO 184 N 5.48 0.13 -6.37 0.00 0.13 -1.66 1.56 132.00 131.27 1p88 h PRO 184 Ca -0.44 -0.01 -0.69 0.00 -0.87 0.00 0.00 66.00 63.99 1p88 h PRO 184 Cb 1.21 -0.03 -0.24 0.00 0.13 0.00 0.00 31.00 32.07 1p88 h PRO 184 CO 0.71 0.09 -0.79 -2.00 -0.23 0.00 0.00 178.00 175.77 1p88 s GLU 185 N -5.13 2.43 0.50 0.86 2.12 0.50 -4.16 118.70 115.82 1p88 s GLU 185 Ca -0.06 -0.74 -0.22 0.00 0.36 0.00 0.00 54.97 54.31 1p88 s GLU 185 Cb 0.23 -2.32 -0.08 0.00 0.26 0.00 0.00 34.13 32.22 1p88 s GLU 185 CO 0.79 0.61 1.12 -0.40 -0.54 0.00 0.00 175.26 176.84 1p88 n ASP 186 N 2.30 1.66 -4.29 -1.70 5.68 -1.26 -3.92 116.55 115.02 1p88 n ASP 186 Ca -0.17 0.97 -0.28 0.00 -0.50 0.00 0.00 54.79 54.81 1p88 n ASP 186 Cb 0.52 -1.44 -0.15 0.00 -1.14 0.00 0.00 41.12 38.92 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 -1.33 1.88 -0.16 2.12 2.01 0.46 -1.89 115.64 118.73 1p88 s THR 187 Ca 0.68 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 61.43 1p88 s THR 187 Cb -0.48 -1.62 0.03 0.00 0.01 0.00 0.00 72.50 70.45 1p88 s THR 187 CO 0.53 0.31 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.96 1p88 s VAL 188 N -0.77 1.52 -0.30 3.82 1.01 -1.25 -0.59 120.40 123.85 1p88 s VAL 188 Ca 0.09 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 1p88 s VAL 188 Cb -0.09 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1p88 s VAL 188 CO 0.02 0.35 0.19 -0.63 0.00 0.00 0.00 175.10 175.02 1p88 s ILE 189 N 1.49 5.05 -0.24 2.22 1.09 0.36 0.19 121.20 131.35 1p88 s ILE 189 Ca 0.03 -0.12 -0.10 0.00 -1.10 0.00 0.00 60.65 59.35 1p88 s ILE 189 Cb -0.14 -3.50 -0.05 0.00 -1.06 0.00 0.00 42.46 37.71 1p88 s ILE 189 CO -0.10 0.13 0.16 -0.60 -0.10 0.00 0.00 174.94 174.43 1p88 s ARG 190 N 1.70 4.03 -0.22 2.79 3.52 0.17 0.23 118.95 131.17 1p88 s ARG 190 Ca 0.06 -0.29 -0.17 0.00 -0.13 0.00 0.00 55.73 55.20 1p88 s ARG 190 Cb -0.17 -3.54 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 1p88 s ARG 190 CO 0.09 0.02 0.45 0.42 -0.81 0.00 0.00 175.30 175.47 1p88 s ILE 191 N 1.17 5.15 -0.82 4.11 1.09 -1.24 -1.56 121.20 129.10 1p88 s ILE 191 Ca 0.07 0.78 -0.26 0.00 -1.10 0.00 0.00 60.65 60.14 1p88 s ILE 191 Cb -0.14 -3.77 0.04 0.00 -1.06 0.00 0.00 42.46 37.53 1p88 s ILE 191 CO 0.05 0.19 1.32 -0.54 -0.10 0.00 0.00 174.94 175.87 1p88 s LYS 192 N 1.68 3.30 0.42 2.79 1.02 -0.93 -4.61 119.74 123.41 1p88 s LYS 192 Ca 0.20 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.70 1p88 s LYS 192 Cb -0.15 -4.51 0.00 0.00 -0.52 0.00 0.00 37.83 32.65 1p88 s LYS 192 CO 0.09 -2.16 0.00 0.41 -0.92 0.00 0.00 175.35 172.76 1p88 n GLY 193 N 5.79 0.98 3.27 -3.33 0.00 -1.26 0.29 105.19 110.94 1p88 n GLY 193 Ca 0.11 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 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 3.70 0.38 1.61 1.11 -1.26 -4.78 116.67 113.43 1p88 s ASP 194 Ca 0.00 -0.46 -0.22 0.00 0.18 0.00 0.00 52.55 52.05 1p88 s ASP 194 Cb 0.00 -1.57 -0.15 0.00 1.07 0.00 0.00 42.92 42.27 1p88 s ASP 194 CO 0.00 0.09 0.27 0.18 1.18 0.00 0.00 175.17 176.89 1p88 n LEU 195 N 4.03 -1.85 0.17 1.23 4.77 -1.19 -3.73 117.00 120.41 1p88 n LEU 195 Ca -0.19 0.88 0.02 0.00 -0.03 0.00 0.00 56.01 56.68 1p88 n LEU 195 Cb 0.52 -0.96 0.28 0.00 -2.33 0.00 0.00 43.42 40.93 1p88 n LEU 195 CO 0.29 -3.68 0.62 1.62 -1.33 0.00 0.00 177.39 174.91 1p88 h VAL 196 N 0.54 1.26 0.00 4.08 3.04 0.28 -3.40 116.25 122.05 1p88 h VAL 196 Ca -0.37 -1.70 -0.16 0.00 -1.01 0.00 0.00 66.70 63.46 1p88 h VAL 196 Cb 1.43 1.94 -0.13 0.00 -2.01 0.00 0.00 31.29 32.52 1p88 h VAL 196 CO 0.49 0.47 -0.24 -0.24 -1.01 0.00 0.00 177.57 177.05 1p88 n SER 197 N -3.84 -1.98 -0.30 3.17 2.88 -1.26 -4.97 113.62 107.31 1p88 n SER 197 Ca -0.01 -2.68 0.11 0.00 -1.33 0.00 0.00 58.87 54.96 1p88 n SER 197 Cb 0.52 1.41 0.22 0.00 -0.75 0.00 0.00 64.21 65.61 1p88 n SER 197 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1p88 n LYS 198 N 1.06 -0.07 -0.35 -1.46 0.00 -1.26 0.11 118.16 116.19 1p88 n LYS 198 Ca 0.03 1.31 0.30 0.00 0.00 0.00 0.00 58.31 59.95 1p88 n LYS 198 Cb 0.69 -2.04 0.62 0.00 0.00 0.00 0.00 35.03 34.30 1p88 n LYS 198 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1p88 h PRO 199 N 0.00 0.20 -0.36 1.64 0.13 -1.98 1.08 132.00 132.71 1p88 h PRO 199 Ca 0.50 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.54 1p88 h PRO 199 Cb 0.96 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1p88 h PRO 199 CO -0.83 0.13 -0.06 -0.92 -0.23 0.00 0.00 178.00 176.08 1p88 h TYR 200 N 0.20 0.76 -0.18 1.56 5.03 0.43 -2.39 116.97 122.39 1p88 h TYR 200 Ca 0.63 -0.16 -0.05 0.00 2.58 0.00 0.00 58.73 61.73 1p88 h TYR 200 Cb 2.00 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 40.07 1p88 h TYR 200 CO -0.00 0.82 -0.12 0.82 -1.32 0.00 0.00 178.16 178.36 1p88 h ILE 201 N 0.49 1.19 -0.57 1.81 1.08 0.11 -1.73 117.51 119.88 1p88 h ILE 201 Ca 0.10 -0.81 -0.06 0.00 -0.39 0.00 0.00 64.86 63.69 1p88 h ILE 201 Cb 0.56 1.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 1p88 h ILE 201 CO 0.03 0.26 0.13 0.44 -0.69 0.00 0.00 178.15 178.32 1p88 h ASP 202 N 0.27 0.88 0.01 1.72 5.19 -0.36 -1.35 116.42 122.77 1p88 h ASP 202 Ca 0.05 -0.24 -0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1p88 h ASP 202 Cb 0.39 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1p88 h ASP 202 CO 0.02 0.89 -0.01 0.40 -3.12 0.00 0.00 179.24 177.43 1p88 h ILE 203 N 0.82 1.04 -0.15 0.35 2.04 -0.94 -0.82 117.51 119.85 1p88 h ILE 203 Ca 0.18 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1p88 h ILE 203 Cb 0.36 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1p88 h ILE 203 CO 0.00 0.04 -0.18 0.74 0.00 0.00 0.00 178.15 178.76 1p88 h THR 204 N -0.09 0.53 -0.05 -0.27 2.02 -1.11 2.13 112.91 116.07 1p88 h THR 204 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1p88 h THR 204 Cb 0.09 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1p88 h THR 204 CO 0.00 0.00 -0.27 -0.07 0.37 0.00 0.00 175.52 175.55 1p88 h LEU 205 N -0.22 0.08 0.03 2.58 3.38 -1.18 1.84 115.31 121.83 1p88 h LEU 205 Ca 0.11 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1p88 h LEU 205 Cb 0.37 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1p88 h LEU 205 CO -0.28 0.36 -0.39 0.78 0.09 0.00 0.00 178.44 179.00 1p88 h ASN 206 N 0.08 0.30 0.54 -0.43 4.21 -0.08 -0.25 115.58 119.95 1p88 h ASN 206 Ca 0.01 -0.84 -0.10 0.00 1.21 0.00 0.00 56.30 56.58 1p88 h ASN 206 Cb 0.53 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.62 1p88 h ASN 206 CO 0.04 1.10 -0.49 0.25 -1.29 0.00 0.00 177.43 177.04 1p88 h LEU 207 N -0.47 0.00 -0.41 1.61 5.85 0.36 -2.27 115.31 119.98 1p88 h LEU 207 Ca -0.06 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.48 1p88 h LEU 207 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1p88 h LEU 207 CO 0.08 0.49 -0.75 0.24 -0.34 0.00 0.00 178.44 178.16 1p88 h MET 208 N 0.00 0.33 -0.89 1.25 2.86 0.28 -3.13 114.93 115.63 1p88 h MET 208 Ca -0.00 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 1p88 h MET 208 Cb 0.90 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.58 1p88 h MET 208 CO 0.06 0.93 0.49 0.87 1.06 0.00 0.00 176.91 180.33 1p88 h LYS 209 N 0.22 1.25 0.00 1.72 1.57 -0.48 -0.12 116.57 120.72 1p88 h LYS 209 Ca -0.03 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1p88 h LYS 209 Cb 1.32 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1p88 h LYS 209 CO 0.12 0.91 -0.02 0.00 -0.57 0.00 0.00 179.45 179.89 1p88 h THR 210 N 1.25 0.85 -0.00 -0.16 1.03 -1.39 0.26 112.91 114.75 1p88 h THR 210 Ca 0.31 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.64 1p88 h THR 210 Cb 0.03 1.04 0.00 0.00 -1.07 0.00 0.00 68.15 68.15 1p88 h THR 210 CO -0.05 0.02 -0.01 0.49 -0.01 0.00 0.00 175.52 175.96 1p88 n PHE 211 N -4.27 0.00 0.00 0.00 3.72 -0.09 -4.11 117.46 112.71 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 0.11 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 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 1.15 3.31 1.37 0.00 0.91 0.14 105.19 113.46 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 1.87 -0.02 1.61 -7.23 -1.03 -4.70 120.40 108.90 1p88 s VAL 213 Ca 0.00 -1.53 0.04 0.00 -1.81 0.00 0.00 61.98 58.67 1p88 s VAL 213 Cb 0.00 -1.67 -0.01 0.00 0.56 0.00 0.00 36.38 35.27 1p88 s VAL 213 CO 0.00 0.05 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.10 1p88 s GLU 214 N -1.79 1.11 0.09 4.82 2.02 -1.26 -2.29 118.70 121.39 1p88 s GLU 214 Ca 0.09 -0.43 0.09 0.00 0.02 0.00 0.00 54.97 54.74 1p88 s GLU 214 Cb -0.10 -1.04 -0.03 0.00 0.10 0.00 0.00 34.13 33.06 1p88 s GLU 214 CO 0.04 0.22 -0.24 0.42 0.02 0.00 0.00 175.26 175.73 1p88 s ILE 215 N -0.11 1.96 -0.31 -1.63 -1.09 -1.26 -4.43 121.20 114.32 1p88 s ILE 215 Ca 0.01 -1.50 -0.10 0.00 -2.23 0.00 0.00 60.65 56.83 1p88 s ILE 215 Cb -0.07 -1.72 -0.01 0.00 -1.58 0.00 0.00 42.46 39.08 1p88 s ILE 215 CO 0.00 0.13 0.16 -0.70 -1.23 0.00 0.00 174.94 173.30 1p88 s GLU 216 N -1.66 3.39 0.37 2.79 2.12 0.29 -4.93 118.70 121.07 1p88 s GLU 216 Ca 0.10 -0.69 -0.19 0.00 0.36 0.00 0.00 54.97 54.55 1p88 s GLU 216 Cb -0.10 -3.59 -0.10 0.00 0.26 0.00 0.00 34.13 30.60 1p88 s GLU 216 CO 0.04 -0.41 0.86 -0.80 -0.54 0.00 0.00 175.26 174.41 1p88 s ASN 217 N 1.63 6.90 0.00 -1.70 0.02 -1.26 0.12 114.94 120.65 1p88 s ASN 217 Ca 0.05 1.53 0.00 0.00 -1.02 0.00 0.00 52.86 53.42 1p88 s ASN 217 Cb -0.17 -2.47 0.00 0.00 0.02 0.00 0.00 41.25 38.63 1p88 s ASN 217 CO 0.07 -0.27 0.00 1.67 0.02 0.00 0.00 177.10 178.59 1p88 n GLN 218 N -0.41 3.49 -1.07 -0.60 -0.06 0.22 -4.90 117.38 114.05 1p88 n GLN 218 Ca 0.05 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.71 1p88 n GLN 218 Cb 0.53 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.68 1p88 n GLN 218 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1p88 n HIS 219 N 0.00 1.91 -2.79 3.69 8.25 -1.26 -4.19 115.22 120.83 1p88 n HIS 219 Ca 0.00 -2.11 -0.20 0.00 -0.26 0.00 0.00 57.72 55.15 1p88 n HIS 219 Cb 0.00 -1.85 0.01 0.00 1.12 0.00 0.00 29.99 29.27 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 5.72 -1.56 0.00 4.41 9.36 -1.26 -4.77 117.16 129.06 1p88 n TYR 220 Ca 0.50 0.26 0.00 0.00 3.32 0.00 0.00 57.90 61.98 1p88 n TYR 220 Cb 0.28 -3.76 0.00 0.00 -0.63 0.00 0.00 39.34 35.23 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 -3.45 0.00 0.00 2.98 10.64 -1.26 -4.07 117.38 122.22 1p88 n GLN 221 Ca -0.14 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.03 1p88 n GLN 221 Cb 0.63 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.01 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 -4.84 2.61 6.02 -1.18 -3.68 117.38 116.32 1p88 n GLN 222 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 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 1.62 -0.24 1.08 0.40 0.64 0.72 117.98 122.21 1p88 s PHE 223 Ca 0.00 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 1p88 s PHE 223 Cb 0.00 -1.07 0.04 0.00 0.51 0.00 0.00 43.02 42.50 1p88 s PHE 223 CO 0.00 -0.08 -0.11 0.08 0.70 0.00 0.00 175.22 175.81 1p88 s VAL 224 N -0.24 2.40 -0.16 -0.44 1.01 0.32 -0.49 120.40 122.80 1p88 s VAL 224 Ca 0.03 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 60.76 1p88 s VAL 224 Cb -0.09 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1p88 s VAL 224 CO 0.00 0.18 -0.17 0.54 0.00 0.00 0.00 175.10 175.66 1p88 s VAL 225 N 1.23 1.80 -0.10 2.92 0.11 0.25 0.10 120.40 126.71 1p88 s VAL 225 Ca -0.02 -0.78 -0.30 0.00 -2.93 0.00 0.00 61.98 57.95 1p88 s VAL 225 Cb -0.17 -1.65 -0.03 0.00 -1.53 0.00 0.00 36.38 33.00 1p88 s VAL 225 CO -0.07 0.50 1.26 -0.54 -3.33 0.00 0.00 175.10 172.92 1p88 s LYS 226 N 1.36 4.29 0.39 1.54 3.01 -1.26 -0.40 119.74 128.66 1p88 s LYS 226 Ca 0.04 1.71 -0.07 0.00 -1.01 0.00 0.00 55.97 56.65 1p88 s LYS 226 Cb -0.13 -3.67 0.09 0.00 -1.01 0.00 0.00 37.83 33.12 1p88 s LYS 226 CO -0.11 -0.59 0.42 0.41 0.51 0.00 0.00 175.35 175.99 1p88 n GLY 227 N 3.53 -1.98 2.55 -3.33 0.00 -1.26 -4.23 105.19 100.47 1p88 n GLY 227 Ca 0.13 -1.56 -0.18 0.00 0.00 0.00 0.00 46.02 44.40 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 0.87 1.76 0.74 -0.02 0.00 0.53 -4.83 105.19 104.25 1p88 n GLY 228 Ca 0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.35 -0.78 -3.64 1.61 6.02 0.52 -4.96 117.38 113.79 1p88 n GLN 229 Ca -0.18 -0.38 -0.15 0.00 -0.01 0.00 0.00 57.00 56.27 1p88 n GLN 229 Cb 0.61 -0.30 -0.07 0.00 1.02 0.00 0.00 30.24 31.49 1p88 n GLN 229 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1p88 s SER 230 N -2.03 -0.49 -0.15 1.08 0.15 -1.26 -4.64 113.70 106.36 1p88 s SER 230 Ca 0.15 0.62 -0.07 0.00 0.70 0.00 0.00 55.95 57.35 1p88 s SER 230 Cb -0.01 0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 64.88 1p88 s SER 230 CO 0.11 -0.45 0.10 -0.31 1.20 0.00 0.00 173.24 173.88 1p88 s TYR 231 N -0.86 3.40 0.05 3.44 2.02 -1.26 -4.44 117.35 119.70 1p88 s TYR 231 Ca -0.09 0.31 0.07 0.00 -0.37 0.00 0.00 57.07 56.99 1p88 s TYR 231 Cb -0.03 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.50 1p88 s TYR 231 CO 0.06 0.44 -0.19 -0.65 -1.57 0.00 0.00 175.55 173.64 1p88 s GLN 232 N -0.31 1.24 -0.40 -0.62 -0.21 0.38 0.56 119.66 120.31 1p88 s GLN 232 Ca 0.10 -0.91 -0.29 0.00 0.02 0.00 0.00 55.36 54.29 1p88 s GLN 232 Cb -0.12 -1.33 -0.00 0.00 1.00 0.00 0.00 33.01 32.56 1p88 s GLN 232 CO 0.01 0.34 1.56 -1.54 -2.12 0.00 0.00 175.29 173.54 1p88 s SER 233 N -1.23 6.13 0.00 5.90 1.04 -0.60 -4.40 113.70 120.54 1p88 s SER 233 Ca 0.06 0.95 0.11 0.00 0.48 0.00 0.00 55.95 57.55 1p88 s SER 233 Cb -0.09 -2.53 0.64 0.00 0.10 0.00 0.00 66.02 64.14 1p88 s SER 233 CO 0.02 -1.58 1.08 -0.81 0.98 0.00 0.00 173.24 172.93 1p88 n PRO 234 N 8.27 0.34 0.00 4.02 -0.04 -1.26 -4.87 135.00 141.45 1p88 n PRO 234 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1p88 n PRO 234 Cb 0.48 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.32 0.95 3.32 0.55 0.00 -1.26 -4.90 105.19 103.53 1p88 n GLY 235 Ca 0.08 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 2.51 -0.06 2.61 2.01 -1.26 0.13 115.64 121.58 1p88 s THR 236 Ca 0.00 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.13 1p88 s THR 236 Cb 0.00 -1.99 0.02 0.00 0.01 0.00 0.00 72.50 70.55 1p88 s THR 236 CO 0.00 0.56 -0.06 -0.47 -0.69 0.00 0.00 174.62 173.96 1p88 s TYR 237 N 0.05 0.99 -0.39 4.92 6.14 0.61 -4.88 117.35 124.79 1p88 s TYR 237 Ca -0.08 -0.34 -0.21 0.00 0.64 0.00 0.00 57.07 57.08 1p88 s TYR 237 Cb -0.15 -0.84 0.01 0.00 0.42 0.00 0.00 41.96 41.40 1p88 s TYR 237 CO 0.05 -0.26 0.68 -1.17 0.64 0.00 0.00 175.55 175.49 1p88 s LEU 238 N 1.08 4.29 -0.43 6.97 1.98 -1.26 0.86 118.68 132.16 1p88 s LEU 238 Ca -0.08 0.04 -0.25 0.00 -2.89 0.00 0.00 54.13 50.95 1p88 s LEU 238 Cb -0.14 -2.84 0.02 0.00 0.66 0.00 0.00 46.19 43.89 1p88 s LEU 238 CO -0.01 -0.70 0.88 -0.69 -1.89 0.00 0.00 176.35 173.95 1p88 s VAL 239 N 2.88 4.56 -2.08 1.68 1.01 0.26 -4.85 120.40 123.86 1p88 s VAL 239 Ca 0.26 0.79 0.31 0.00 0.00 0.00 0.00 61.98 63.34 1p88 s VAL 239 Cb -0.14 -4.37 0.86 0.00 0.00 0.00 0.00 36.38 32.73 1p88 s VAL 239 CO 0.17 -0.71 2.16 -0.62 0.00 0.00 0.00 175.10 176.10