#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d97 s ILE 3 N 0.00 2.05 0.50 12.58 -4.36 -0.83 -5.01 121.20 126.13 2d97 s ILE 3 Ca 0.00 -2.02 0.03 0.00 -0.26 0.00 0.00 60.65 58.40 2d97 s ILE 3 Cb 0.00 -2.95 0.02 0.00 1.25 0.00 0.00 42.46 40.78 2d97 s ILE 3 CO 0.00 -0.03 0.70 -1.10 0.24 0.00 0.00 174.94 174.74 2d97 s GLN 4 N -3.70 2.70 0.51 0.37 -1.52 -1.26 -4.48 119.66 112.28 2d97 s GLN 4 Ca 0.35 -0.88 -0.21 0.00 -1.95 0.00 0.00 55.36 52.67 2d97 s GLN 4 Cb 0.09 -2.58 -0.09 0.00 -0.22 0.00 0.00 33.01 30.21 2d97 s GLN 4 CO 0.18 -0.52 0.83 -2.30 -0.25 0.00 0.00 175.29 173.23 2d97 n PRO 5 N -2.15 0.93 -2.18 2.91 -0.02 -1.26 -4.90 135.00 128.33 2d97 n PRO 5 Ca 0.07 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2d97 n PRO 5 Cb 0.59 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2d97 n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2d97 n GLY 6 N 1.42 -0.88 3.28 -1.23 0.00 0.17 -4.98 105.19 102.97 2d97 n GLY 6 Ca 0.11 -1.59 -0.16 0.00 0.00 0.00 0.00 46.02 44.39 2d97 n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d97 s THR 7 N -1.86 1.36 0.00 2.61 -4.23 -1.26 -0.97 115.64 111.29 2d97 s THR 7 Ca 0.00 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2d97 s THR 7 Cb 0.00 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.98 2d97 s THR 7 CO 0.00 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 2d97 n GLY 8 N -0.15 -0.47 0.00 3.99 0.00 -0.94 -5.01 105.19 102.61 2d97 n GLY 8 Ca -0.10 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2d97 n GLY 8 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2d97 n ASN 10 N 0.00 0.00 -3.86 1.61 2.85 0.61 -1.04 115.26 115.43 2d97 n ASN 10 Ca 0.00 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.18 2d97 n ASN 10 Cb 0.00 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.05 2d97 n ASN 10 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2d97 n ASN 11 N 0.00 -4.55 0.00 1.20 3.02 -1.26 -1.98 115.26 111.69 2d97 n ASN 11 Ca 0.00 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 2d97 n ASN 11 Cb 0.00 -4.02 0.00 0.00 -0.61 0.00 0.00 39.78 35.15 2d97 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d97 n GLY 12 N -1.71 0.87 3.31 7.41 0.00 -1.26 -4.58 105.19 109.22 2d97 n GLY 12 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2d97 n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2d97 s TYR 13 N -3.16 2.07 0.43 1.61 1.51 -0.84 -5.04 117.35 113.93 2d97 s TYR 13 Ca 0.00 -0.39 -0.21 0.00 -1.01 0.00 0.00 57.07 55.45 2d97 s TYR 13 Cb 0.00 -1.21 -0.11 0.00 -0.11 0.00 0.00 41.96 40.53 2d97 s TYR 13 CO 0.00 0.16 0.95 0.12 -1.11 0.00 0.00 175.55 175.67 2d97 s PHE 14 N -0.89 3.31 0.03 2.71 5.36 -0.13 -0.28 117.98 128.08 2d97 s PHE 14 Ca 0.10 1.62 -0.00 0.00 -0.96 0.00 0.00 56.93 57.69 2d97 s PHE 14 Cb -0.10 -2.87 -0.02 0.00 -0.34 0.00 0.00 43.02 39.69 2d97 s PHE 14 CO 0.03 -0.13 -0.03 1.52 -1.46 0.00 0.00 175.22 175.14 2d97 s TYR 15 N -2.14 0.32 -0.05 10.12 -0.85 -0.20 -0.02 117.35 124.53 2d97 s TYR 15 Ca 0.62 -0.61 -0.02 0.00 -0.52 0.00 0.00 57.07 56.54 2d97 s TYR 15 Cb -0.10 -0.23 0.03 0.00 0.38 0.00 0.00 41.96 42.04 2d97 s TYR 15 CO 0.14 -0.21 0.11 0.45 -1.52 0.00 0.00 175.55 174.52 2d97 s SER 16 N -1.68 -0.06 -0.05 -0.18 0.15 -0.66 -2.22 113.70 108.99 2d97 s SER 16 Ca -0.12 0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.74 2d97 s SER 16 Cb -0.07 0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.38 2d97 s SER 16 CO -0.02 -0.13 0.00 -0.47 1.20 0.00 0.00 173.24 173.82 2d97 s TYR 17 N 1.06 0.53 0.01 3.44 5.04 -0.14 -1.33 117.35 125.96 2d97 s TYR 17 Ca -0.08 -0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.46 2d97 s TYR 17 Cb -0.11 -0.66 -0.01 0.00 0.35 0.00 0.00 41.96 41.53 2d97 s TYR 17 CO -0.05 -0.25 -0.02 -0.46 -1.34 0.00 0.00 175.55 173.44 2d97 s TRP 18 N 1.65 0.14 0.13 4.97 -0.00 -0.18 0.43 118.94 126.07 2d97 s TRP 18 Ca -0.00 -0.21 -0.08 0.00 -0.00 0.00 0.00 56.10 55.81 2d97 s TRP 18 Cb -0.13 -0.09 -0.01 0.00 -0.00 0.00 0.00 33.47 33.24 2d97 s TRP 18 CO -0.03 -0.07 0.21 0.54 -0.00 0.00 0.00 176.95 177.59 2d97 s ASN 19 N -0.58 0.12 0.00 5.86 2.20 -1.26 -0.78 114.94 120.50 2d97 s ASN 19 Ca -0.06 -0.84 0.14 0.00 -0.94 0.00 0.00 52.86 51.16 2d97 s ASN 19 Cb -0.04 0.38 0.59 0.00 -2.00 0.00 0.00 41.25 40.18 2d97 s ASN 19 CO -0.00 -0.80 1.41 -0.90 -2.94 0.00 0.00 177.10 173.87 2d97 n ASP 20 N -0.13 0.89 0.00 3.54 5.68 -0.32 -4.86 116.55 121.35 2d97 n ASP 20 Ca -0.10 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 2d97 n ASP 20 Cb 0.63 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 2d97 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2d97 n GLY 21 N 0.89 0.86 3.76 6.12 0.00 -1.26 -5.00 105.19 110.56 2d97 n GLY 21 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2d97 n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2d97 s HIS 22 N -2.19 3.86 0.00 1.61 3.76 -1.26 -5.06 115.29 116.02 2d97 s HIS 22 Ca 0.00 1.64 0.00 0.00 -0.15 0.00 0.00 55.06 56.55 2d97 s HIS 22 Cb 0.00 -2.83 0.00 0.00 1.11 0.00 0.00 32.58 30.86 2d97 s HIS 22 CO 0.00 0.42 0.00 0.41 -0.85 0.00 0.00 174.74 174.72 2d97 n GLY 23 N 1.85 -0.27 0.73 -2.22 0.00 -1.26 -4.32 105.19 99.70 2d97 n GLY 23 Ca -0.04 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2d97 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d97 n GLY 24 N 5.00 0.76 3.37 -0.02 0.00 -1.26 -4.01 105.19 109.02 2d97 n GLY 24 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2d97 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d97 s VAL 25 N -2.28 2.90 -0.26 1.61 1.01 -1.26 0.36 120.40 122.48 2d97 s VAL 25 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2d97 s VAL 25 Cb 0.00 -2.19 0.07 0.00 0.00 0.00 0.00 36.38 34.26 2d97 s VAL 25 CO 0.00 0.54 -0.03 -0.89 0.00 0.00 0.00 175.10 174.72 2d97 s THR 26 N 0.16 1.67 -0.17 3.92 2.01 -0.40 -5.02 115.64 117.83 2d97 s THR 26 Ca -0.08 -1.48 -0.05 0.00 0.31 0.00 0.00 61.69 60.38 2d97 s THR 26 Cb -0.15 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 2d97 s THR 26 CO 0.05 -0.23 0.01 -0.47 -0.69 0.00 0.00 174.62 173.29 2d97 s TYR 27 N 1.30 3.14 -0.05 4.92 6.14 -1.26 -1.61 117.35 129.93 2d97 s TYR 27 Ca -0.02 -0.10 0.02 0.00 0.64 0.00 0.00 57.07 57.60 2d97 s TYR 27 Cb -0.19 -2.01 0.02 0.00 0.42 0.00 0.00 41.96 40.20 2d97 s TYR 27 CO -0.08 0.07 -0.08 0.99 0.64 0.00 0.00 175.55 177.09 2d97 s THR 28 N 0.33 0.76 -0.04 4.34 2.01 0.12 -1.96 115.64 121.20 2d97 s THR 28 Ca -0.00 -0.27 -0.20 0.00 0.31 0.00 0.00 61.69 61.53 2d97 s THR 28 Cb -0.13 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 2d97 s THR 28 CO 0.02 0.27 0.59 0.20 -0.69 0.00 0.00 174.62 175.00 2d97 s ASN 29 N 0.73 6.91 0.00 3.53 0.01 -1.26 -0.21 114.94 124.65 2d97 s ASN 29 Ca -0.12 1.09 0.00 0.00 -0.71 0.00 0.00 52.86 53.12 2d97 s ASN 29 Cb -0.14 -2.35 0.00 0.00 0.41 0.00 0.00 41.25 39.16 2d97 s ASN 29 CO 0.01 0.04 0.00 0.61 -1.51 0.00 0.00 177.10 176.26 2d97 n GLY 30 N 2.73 4.05 3.73 0.66 0.00 0.79 -4.72 105.19 112.42 2d97 n GLY 30 Ca -0.06 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 2d97 n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d97 s PRO 31 N -1.31 2.15 4.93 1.61 0.04 -1.26 -4.35 135.00 136.81 2d97 s PRO 31 Ca 0.00 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2d97 s PRO 31 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2d97 s PRO 31 CO 0.00 -1.80 0.00 0.41 0.04 0.00 0.00 177.00 175.65 2d97 n GLY 32 N 0.16 3.01 2.09 0.56 0.00 -1.26 -1.57 105.19 108.17 2d97 n GLY 32 Ca 0.13 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 2d97 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d97 n GLY 33 N 0.00 4.12 3.86 -0.02 0.00 -1.26 -4.66 105.19 107.23 2d97 n GLY 33 Ca 0.00 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 2d97 n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2d97 s GLN 34 N -2.97 3.88 0.01 1.61 -0.44 -0.61 -0.95 119.66 120.19 2d97 s GLN 34 Ca 0.52 0.36 -0.19 0.00 -2.50 0.00 0.00 55.36 53.54 2d97 s GLN 34 Cb 0.43 -2.91 0.04 0.00 -1.64 0.00 0.00 33.01 28.93 2d97 s GLN 34 CO 0.11 0.48 0.43 -0.59 0.50 0.00 0.00 175.29 176.22 2d97 s PHE 35 N -1.49 -0.31 0.01 1.67 -0.71 -0.47 -0.15 117.98 116.53 2d97 s PHE 35 Ca 0.38 0.42 0.02 0.00 -1.04 0.00 0.00 56.93 56.70 2d97 s PHE 35 Cb -0.14 0.21 -0.01 0.00 -1.21 0.00 0.00 43.02 41.87 2d97 s PHE 35 CO 0.19 -0.52 -0.05 -1.12 -1.34 0.00 0.00 175.22 172.38 2d97 s SER 36 N -1.60 0.60 -0.04 1.98 0.01 0.71 -1.25 113.70 114.10 2d97 s SER 36 Ca -0.09 -0.24 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 2d97 s SER 36 Cb -0.02 -0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.21 2d97 s SER 36 CO 0.02 -0.04 0.02 -0.69 0.41 0.00 0.00 173.24 172.96 2d97 s VAL 37 N -0.55 0.12 -0.13 3.43 1.01 -0.42 0.15 120.40 124.02 2d97 s VAL 37 Ca -0.03 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.17 2d97 s VAL 37 Cb -0.05 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.08 2d97 s VAL 37 CO -0.00 0.17 -0.19 0.21 0.00 0.00 0.00 175.10 175.29 2d97 s ASN 38 N 1.50 2.85 0.03 3.32 2.47 -0.63 -1.21 114.94 123.28 2d97 s ASN 38 Ca -0.03 -0.54 0.04 0.00 0.42 0.00 0.00 52.86 52.75 2d97 s ASN 38 Cb -0.13 -1.31 -0.02 0.00 -1.45 0.00 0.00 41.25 38.35 2d97 s ASN 38 CO -0.03 0.05 -0.11 -1.66 -3.72 0.00 0.00 177.10 171.63 2d97 s TRP 39 N 0.92 0.96 -0.20 0.43 -2.14 0.22 -1.27 118.94 117.85 2d97 s TRP 39 Ca -0.06 -0.32 -0.01 0.00 2.66 0.00 0.00 56.10 58.37 2d97 s TRP 39 Cb -0.15 -0.58 0.06 0.00 -3.10 0.00 0.00 33.47 29.69 2d97 s TRP 39 CO -0.02 -0.00 -0.02 -1.12 -2.66 0.00 0.00 176.95 173.12 2d97 s SER 40 N -0.96 3.23 -1.18 -2.66 0.01 0.16 -0.94 113.70 111.35 2d97 s SER 40 Ca -0.00 -0.91 -0.19 0.00 1.31 0.00 0.00 55.95 56.16 2d97 s SER 40 Cb -0.07 -0.89 -0.00 0.00 0.21 0.00 0.00 66.02 65.27 2d97 s SER 40 CO 0.01 -0.25 0.74 0.59 0.41 0.00 0.00 173.24 174.74 2d97 n ASN 41 N 4.87 -4.54 -3.17 2.44 3.02 -0.79 -4.37 115.26 112.71 2d97 n ASN 41 Ca -0.11 -1.04 -0.16 0.00 -0.03 0.00 0.00 54.58 53.25 2d97 n ASN 41 Cb 0.46 -3.21 0.10 0.00 -0.61 0.00 0.00 39.78 36.52 2d97 n ASN 41 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2d97 n SER 42 N -2.67 0.25 0.00 6.41 3.41 -0.36 -4.66 113.62 115.99 2d97 n SER 42 Ca -0.12 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 2d97 n SER 42 Cb 0.60 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2d97 n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d97 n GLY 43 N 0.24 2.35 3.78 5.00 0.00 -1.26 -3.32 105.19 111.99 2d97 n GLY 43 Ca 0.09 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 2d97 n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2d97 s ASN 44 N -0.41 6.58 0.10 1.61 3.04 -1.26 -0.93 114.94 123.68 2d97 s ASN 44 Ca 0.00 0.69 -0.19 0.00 0.04 0.00 0.00 52.86 53.40 2d97 s ASN 44 Cb 0.00 -2.20 0.04 0.00 -1.54 0.00 0.00 41.25 37.55 2d97 s ASN 44 CO 0.00 0.21 0.46 0.72 -3.04 0.00 0.00 177.10 175.44 2d97 s PHE 45 N -0.24 -0.31 -0.16 0.43 -0.71 -0.55 -1.18 117.98 115.27 2d97 s PHE 45 Ca 0.20 0.14 -0.07 0.00 -1.04 0.00 0.00 56.93 56.15 2d97 s PHE 45 Cb -0.14 0.31 0.07 0.00 -1.21 0.00 0.00 43.02 42.05 2d97 s PHE 45 CO 0.08 -0.69 0.37 0.08 -1.34 0.00 0.00 175.22 173.72 2d97 s VAL 46 N -3.26 -0.24 -0.04 -2.49 1.01 0.04 -1.66 120.40 113.75 2d97 s VAL 46 Ca -0.01 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 2d97 s VAL 46 Cb 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.84 2d97 s VAL 46 CO -0.08 0.06 0.35 -0.83 0.00 0.00 0.00 175.10 174.60 2d97 s GLY 47 N 1.83 -0.21 0.00 4.51 0.00 -0.85 -1.01 107.32 111.60 2d97 s GLY 47 Ca -0.06 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.21 2d97 s GLY 47 CO -0.12 0.34 0.00 0.61 0.00 0.00 0.00 173.10 173.94 2d97 n GLY 48 N 1.60 -1.64 3.48 0.20 0.00 -0.44 -1.14 105.19 107.26 2d97 n GLY 48 Ca -0.20 -1.09 -0.26 0.00 0.00 0.00 0.00 46.02 44.48 2d97 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d97 s LYS 49 N -1.84 1.73 0.00 1.61 1.02 -1.12 -1.65 119.74 119.50 2d97 s LYS 49 Ca 0.00 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 54.46 2d97 s LYS 49 Cb 0.00 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 2d97 s LYS 49 CO 0.00 0.38 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 2d97 n GLY 50 N -0.12 -0.58 3.19 -3.33 0.00 0.98 -1.14 105.19 104.19 2d97 n GLY 50 Ca -0.10 0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 2d97 n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2d97 s TRP 51 N -0.27 1.18 -0.23 1.61 0.51 1.00 -0.96 118.94 121.78 2d97 s TRP 51 Ca 0.00 -0.57 -0.04 0.00 -2.12 0.00 0.00 56.10 53.37 2d97 s TRP 51 Cb 0.00 -0.64 0.09 0.00 -0.81 0.00 0.00 33.47 32.11 2d97 s TRP 51 CO 0.00 0.05 0.16 -1.14 -0.51 0.00 0.00 176.95 175.51 2d97 s GLN 52 N -2.42 0.16 0.57 4.98 2.00 -1.26 -0.69 119.66 123.00 2d97 s GLN 52 Ca 0.04 -0.16 -0.01 0.00 -2.00 0.00 0.00 55.36 53.22 2d97 s GLN 52 Cb -0.06 -1.34 0.03 0.00 0.80 0.00 0.00 33.01 32.44 2d97 s GLN 52 CO 0.01 -0.82 0.82 -1.25 -0.50 0.00 0.00 175.29 173.55 2d97 s PRO 53 N 2.20 2.62 0.87 1.67 0.04 -1.26 -5.04 135.00 136.10 2d97 s PRO 53 Ca 0.06 -0.54 -0.09 0.00 0.04 0.00 0.00 61.00 60.47 2d97 s PRO 53 Cb -0.16 -2.42 0.18 0.00 0.04 0.00 0.00 34.50 32.15 2d97 s PRO 53 CO -0.21 -0.73 1.19 0.20 0.04 0.00 0.00 177.00 177.49 2d97 s GLY 54 N -4.39 1.78 0.38 0.56 0.00 -0.13 -4.85 107.32 100.68 2d97 s GLY 54 Ca 0.56 -1.56 0.05 0.00 0.00 0.00 0.00 44.72 43.76 2d97 s GLY 54 CO 0.40 -0.84 0.04 -0.51 0.00 0.00 0.00 173.10 172.20 2d97 s THR 55 N -3.58 1.40 -2.09 0.90 -4.23 -1.26 -4.76 115.64 102.01 2d97 s THR 55 Ca 0.72 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.41 2d97 s THR 55 Cb -0.03 -2.77 0.46 0.00 1.34 0.00 0.00 72.50 71.50 2d97 s THR 55 CO 0.50 0.00 1.41 0.29 -0.54 0.00 0.00 174.62 176.28 2d97 n LYS 56 N -0.85 2.21 -0.19 3.99 5.02 -1.26 -4.09 118.16 122.98 2d97 n LYS 56 Ca -0.05 -1.86 0.00 0.00 -2.02 0.00 0.00 58.31 54.38 2d97 n LYS 56 Cb 0.67 -1.42 0.01 0.00 -0.02 0.00 0.00 35.03 34.26 2d97 n LYS 56 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2d97 n ASN 57 N 1.02 0.19 -4.76 4.39 2.04 -1.26 -3.87 115.26 113.02 2d97 n ASN 57 Ca 0.18 -1.51 -0.41 0.00 -0.44 0.00 0.00 54.58 52.40 2d97 n ASN 57 Cb 0.45 -0.09 -0.02 0.00 -2.53 0.00 0.00 39.78 37.59 2d97 n ASN 57 CO 0.00 0.00 0.00 -0.75 -0.44 0.00 0.00 177.26 176.07 2d97 s LYS 58 N -0.16 4.38 -0.33 -3.83 2.20 -1.26 -4.67 119.74 116.06 2d97 s LYS 58 Ca 0.01 2.16 -0.11 0.00 -0.36 0.00 0.00 55.97 57.67 2d97 s LYS 58 Cb 0.01 -3.11 -0.00 0.00 -1.51 0.00 0.00 37.83 33.22 2d97 s LYS 58 CO 0.00 -0.19 0.19 0.08 -0.36 0.00 0.00 175.35 175.07 2d97 s VAL 59 N -0.74 4.80 -0.18 4.02 1.01 -1.26 -1.67 120.40 126.38 2d97 s VAL 59 Ca 0.51 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 2d97 s VAL 59 Cb -0.39 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2d97 s VAL 59 CO 0.47 -0.02 0.05 -0.63 0.00 0.00 0.00 175.10 174.98 2d97 s ILE 60 N 1.63 4.69 0.01 2.22 1.01 0.37 -4.90 121.20 126.24 2d97 s ILE 60 Ca 0.05 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.65 2d97 s ILE 60 Cb -0.18 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 2d97 s ILE 60 CO 0.08 0.46 -0.01 0.20 0.00 0.00 0.00 174.94 175.67 2d97 s ASN 61 N 0.37 5.03 0.01 3.58 0.01 -0.58 0.53 114.94 123.90 2d97 s ASN 61 Ca 0.02 -0.05 -0.19 0.00 -0.71 0.00 0.00 52.86 51.94 2d97 s ASN 61 Cb -0.13 -1.28 0.04 0.00 0.41 0.00 0.00 41.25 40.29 2d97 s ASN 61 CO 0.00 0.27 0.41 0.72 -1.51 0.00 0.00 177.10 177.00 2d97 s PHE 62 N -1.09 -0.29 -0.03 2.20 -0.71 -0.35 -1.79 117.98 115.92 2d97 s PHE 62 Ca 0.20 0.36 -0.30 0.00 -1.04 0.00 0.00 56.93 56.14 2d97 s PHE 62 Cb -0.11 0.20 0.07 0.00 -1.21 0.00 0.00 43.02 41.97 2d97 s PHE 62 CO 0.11 -0.52 0.66 -1.54 -1.34 0.00 0.00 175.22 172.59 2d97 s SER 63 N -1.67 -0.64 0.00 1.98 1.04 -0.96 -0.28 113.70 113.17 2d97 s SER 63 Ca -0.09 0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2d97 s SER 63 Cb -0.02 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2d97 s SER 63 CO 0.02 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2d97 n GLY 64 N 0.83 -0.64 3.29 7.32 0.00 -0.84 -0.89 105.19 114.27 2d97 n GLY 64 Ca -0.19 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 2d97 n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d97 s SER 65 N -4.00 3.25 -0.17 1.61 1.04 -0.38 -4.73 113.70 110.32 2d97 s SER 65 Ca 0.00 -0.47 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 2d97 s SER 65 Cb 0.00 -0.98 0.05 0.00 0.10 0.00 0.00 66.02 65.20 2d97 s SER 65 CO 0.00 0.24 0.02 -0.47 0.98 0.00 0.00 173.24 174.01 2d97 s TYR 66 N -0.11 0.97 -0.48 5.02 5.04 -1.26 -1.15 117.35 125.38 2d97 s TYR 66 Ca -0.05 -0.72 0.03 0.00 -2.44 0.00 0.00 57.07 53.90 2d97 s TYR 66 Cb -0.14 -0.99 0.15 0.00 0.35 0.00 0.00 41.96 41.33 2d97 s TYR 66 CO 0.04 -0.55 0.32 1.21 -1.34 0.00 0.00 175.55 175.23 2d97 s ASN 67 N 1.87 3.12 0.35 4.32 3.84 -0.15 -5.03 114.94 123.27 2d97 s ASN 67 Ca 0.00 -2.97 -0.09 0.00 0.21 0.00 0.00 52.86 50.01 2d97 s ASN 67 Cb -0.16 -0.90 -0.06 0.00 -0.55 0.00 0.00 41.25 39.58 2d97 s ASN 67 CO -0.07 -0.20 0.69 -2.16 -2.79 0.00 0.00 177.10 172.56 2d97 s PRO 68 N -0.04 3.75 -0.49 0.43 0.04 -1.26 -1.82 135.00 135.61 2d97 s PRO 68 Ca 0.24 0.33 0.06 0.00 0.04 0.00 0.00 61.00 61.67 2d97 s PRO 68 Cb -0.11 -2.49 0.22 0.00 0.04 0.00 0.00 34.50 32.16 2d97 s PRO 68 CO -0.09 0.07 0.52 0.09 0.04 0.00 0.00 177.00 177.62 2d97 n ASN 69 N -1.06 1.11 0.00 6.66 4.13 0.98 -4.94 115.26 122.14 2d97 n ASN 69 Ca 0.01 -2.83 0.00 0.00 1.68 0.00 0.00 54.58 53.44 2d97 n ASN 69 Cb 0.54 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 2d97 n ASN 69 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d97 n GLY 70 N 1.75 0.77 3.65 7.41 0.00 -1.26 -2.58 105.19 114.93 2d97 n GLY 70 Ca 0.25 -2.11 -0.48 0.00 0.00 0.00 0.00 46.02 43.68 2d97 n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2d97 n ASN 71 N 1.59 2.76 -3.06 1.61 5.03 -1.25 -4.26 115.26 117.68 2d97 n ASN 71 Ca 0.00 1.09 0.03 0.00 0.87 0.00 0.00 54.58 56.57 2d97 n ASN 71 Cb 0.00 -1.36 0.01 0.00 -1.02 0.00 0.00 39.78 37.40 2d97 n ASN 71 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2d97 n SER 72 N 3.37 -0.70 -3.68 6.41 2.88 -1.14 -4.52 113.62 116.23 2d97 n SER 72 Ca 0.18 -1.03 -0.12 0.00 -1.33 0.00 0.00 58.87 56.56 2d97 n SER 72 Cb 0.26 1.06 -0.13 0.00 -0.75 0.00 0.00 64.21 64.66 2d97 n SER 72 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2d97 s LEU 74 N 0.00 -0.11 0.13 2.46 2.96 0.45 -0.94 118.68 123.62 2d97 s LEU 74 Ca 0.22 0.63 -0.25 0.00 -0.22 0.00 0.00 54.13 54.52 2d97 s LEU 74 Cb -0.00 0.82 0.07 0.00 0.50 0.00 0.00 46.19 47.58 2d97 s LEU 74 CO -0.02 -0.21 0.81 -0.94 -1.32 0.00 0.00 176.35 174.67 2d97 s SER 75 N 2.02 -0.34 0.03 3.68 1.04 -0.62 -1.03 113.70 118.48 2d97 s SER 75 Ca -0.03 -0.23 -0.30 0.00 0.48 0.00 0.00 55.95 55.87 2d97 s SER 75 Cb -0.11 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 2d97 s SER 75 CO -0.09 -0.91 1.11 -0.69 0.98 0.00 0.00 173.24 173.63 2d97 s VAL 76 N -3.45 4.40 -0.03 5.02 1.01 -0.04 -0.83 120.40 126.49 2d97 s VAL 76 Ca 0.07 1.72 0.03 0.00 0.00 0.00 0.00 61.98 63.80 2d97 s VAL 76 Cb -0.02 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2d97 s VAL 76 CO -0.04 0.13 -0.10 -0.47 0.00 0.00 0.00 175.10 174.61 2d97 s TYR 77 N 1.09 1.07 0.17 5.22 5.04 0.24 -1.19 117.35 129.00 2d97 s TYR 77 Ca 0.56 -0.27 -0.20 0.00 -2.44 0.00 0.00 57.07 54.71 2d97 s TYR 77 Cb -0.26 -0.75 0.07 0.00 0.35 0.00 0.00 41.96 41.38 2d97 s TYR 77 CO 0.28 -0.10 0.97 0.41 -1.34 0.00 0.00 175.55 175.77 2d97 n GLY 78 N 3.23 0.64 3.17 8.97 0.00 -0.94 -0.41 105.19 119.85 2d97 n GLY 78 Ca -0.18 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 2d97 n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2d97 s TRP 79 N -2.33 0.91 0.06 1.61 0.52 -1.00 -1.26 118.94 117.44 2d97 s TRP 79 Ca 0.22 -1.11 -0.01 0.00 0.02 0.00 0.00 56.10 55.22 2d97 s TRP 79 Cb -0.03 -0.53 -0.04 0.00 -1.15 0.00 0.00 33.47 31.72 2d97 s TRP 79 CO 0.05 -0.36 -0.04 -1.54 0.02 0.00 0.00 176.95 175.08 2d97 s SER 80 N -3.06 0.58 0.14 2.95 1.04 -0.35 0.01 113.70 115.01 2d97 s SER 80 Ca 0.20 -0.98 0.09 0.00 0.48 0.00 0.00 55.95 55.74 2d97 s SER 80 Cb 0.07 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 2d97 s SER 80 CO -0.00 -0.56 -0.22 -0.13 0.98 0.00 0.00 173.24 173.30 2d97 s ARG 81 N -3.79 1.28 -0.73 4.02 0.52 0.84 -1.41 118.95 119.69 2d97 s ARG 81 Ca 0.07 -1.33 -0.10 0.00 -0.52 0.00 0.00 55.73 53.85 2d97 s ARG 81 Cb 0.07 -1.54 0.01 0.00 0.52 0.00 0.00 34.95 34.01 2d97 s ARG 81 CO -0.09 0.34 0.62 0.09 0.02 0.00 0.00 175.30 176.29 2d97 n ASN 82 N 0.68 -5.24 -4.84 0.23 3.02 -1.26 -0.38 115.26 107.48 2d97 n ASN 82 Ca -0.16 -0.69 -0.32 0.00 -0.03 0.00 0.00 54.58 53.37 2d97 n ASN 82 Cb 0.55 -1.96 -0.04 0.00 -0.61 0.00 0.00 39.78 37.71 2d97 n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2d97 s PRO 83 N -4.19 4.00 -0.31 3.52 0.04 -1.26 -4.10 135.00 132.70 2d97 s PRO 83 Ca 0.10 0.96 -0.29 0.00 0.04 0.00 0.00 61.00 61.81 2d97 s PRO 83 Cb -0.01 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.37 2d97 s PRO 83 CO 0.88 -0.20 1.22 -1.17 0.04 0.00 0.00 177.00 177.77 2d97 s LEU 84 N -3.85 3.90 -0.02 -3.56 2.96 -1.26 -3.74 118.68 113.12 2d97 s LEU 84 Ca 0.59 1.14 0.01 0.00 -0.22 0.00 0.00 54.13 55.66 2d97 s LEU 84 Cb -0.10 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.06 2d97 s LEU 84 CO 0.27 -1.01 -0.03 -0.63 -1.32 0.00 0.00 176.35 173.63 2d97 s ILE 85 N 4.12 0.32 -0.21 6.68 -1.09 -0.50 -4.81 121.20 125.70 2d97 s ILE 85 Ca 0.52 -0.10 -0.03 0.00 -2.23 0.00 0.00 60.65 58.81 2d97 s ILE 85 Cb -0.15 -0.32 -0.01 0.00 -1.58 0.00 0.00 42.46 40.40 2d97 s ILE 85 CO 0.21 0.13 -0.06 -0.70 -1.23 0.00 0.00 174.94 173.28 2d97 s GLU 86 N 0.33 3.35 0.19 2.79 2.12 -1.26 -1.21 118.70 125.00 2d97 s GLU 86 Ca -0.03 -0.64 0.09 0.00 0.36 0.00 0.00 54.97 54.74 2d97 s GLU 86 Cb -0.07 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 2d97 s GLU 86 CO -0.01 -0.19 -0.17 1.52 -0.54 0.00 0.00 175.26 175.87 2d97 s TYR 87 N 1.43 1.83 -0.01 5.30 -0.85 -0.39 -1.89 117.35 122.77 2d97 s TYR 87 Ca 0.05 -0.49 -0.02 0.00 -0.52 0.00 0.00 57.07 56.10 2d97 s TYR 87 Cb -0.14 -0.88 0.00 0.00 0.38 0.00 0.00 41.96 41.32 2d97 s TYR 87 CO -0.04 0.37 0.05 0.71 -1.52 0.00 0.00 175.55 175.12 2d97 s TYR 88 N -2.36 -0.01 -0.44 -3.49 1.51 -0.51 -2.23 117.35 109.82 2d97 s TYR 88 Ca 0.19 0.04 0.03 0.00 -1.01 0.00 0.00 57.07 56.32 2d97 s TYR 88 Cb -0.04 -0.01 0.13 0.00 -0.11 0.00 0.00 41.96 41.92 2d97 s TYR 88 CO 0.07 -0.06 0.21 0.42 -1.11 0.00 0.00 175.55 175.08 2d97 s ILE 89 N -0.22 1.91 -0.33 2.71 1.01 -0.33 -1.42 121.20 124.53 2d97 s ILE 89 Ca -0.03 -2.70 -0.29 0.00 0.00 0.00 0.00 60.65 57.64 2d97 s ILE 89 Cb -0.02 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 40.12 2d97 s ILE 89 CO 0.00 -0.80 1.15 -0.69 0.00 0.00 0.00 174.94 174.60 2d97 s VAL 90 N 0.31 4.37 -0.15 2.92 1.01 0.52 -0.86 120.40 128.53 2d97 s VAL 90 Ca 0.16 1.55 0.19 0.00 0.00 0.00 0.00 61.98 63.88 2d97 s VAL 90 Cb -0.24 -4.36 -0.13 0.00 0.00 0.00 0.00 36.38 31.66 2d97 s VAL 90 CO -0.03 -0.53 0.79 -0.62 0.00 0.00 0.00 175.10 174.71 2d97 n GLU 91 N 7.09 0.63 -3.49 2.72 -0.58 -0.20 -0.81 120.64 126.01 2d97 n GLU 91 Ca 0.13 0.14 -0.11 0.00 -0.42 0.00 0.00 57.16 56.89 2d97 n GLU 91 Cb 0.47 -1.76 -0.03 0.00 -0.57 0.00 0.00 31.44 29.55 2d97 n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2d97 s ASN 92 N -5.52 -0.48 0.07 1.62 3.04 -1.02 -1.40 114.94 111.25 2d97 s ASN 92 Ca -0.03 0.15 -0.27 0.00 0.04 0.00 0.00 52.86 52.75 2d97 s ASN 92 Cb 0.09 0.47 0.08 0.00 -1.54 0.00 0.00 41.25 40.36 2d97 s ASN 92 CO 0.82 -0.71 0.87 0.72 -3.04 0.00 0.00 177.10 175.76 2d97 s PHE 93 N -2.83 -0.30 -0.00 0.43 -0.12 -1.26 -0.42 117.98 113.48 2d97 s PHE 93 Ca 0.01 0.10 0.04 0.00 -0.05 0.00 0.00 56.93 57.03 2d97 s PHE 93 Cb -0.01 0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 42.95 2d97 s PHE 93 CO -0.06 -0.69 -0.14 0.20 -0.05 0.00 0.00 175.22 174.48 2d97 s GLY 94 N -2.66 0.71 0.00 1.99 0.00 -0.12 -4.91 107.32 102.33 2d97 s GLY 94 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2d97 s GLY 94 CO -0.06 -0.56 0.00 2.41 0.00 0.00 0.00 173.10 174.89 2d97 n THR 95 N 2.58 0.00 -4.02 0.90 -1.04 -1.26 -2.90 114.28 108.54 2d97 n THR 95 Ca -0.15 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.60 2d97 n THR 95 Cb 0.55 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.89 2d97 n THR 95 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2d97 s TYR 96 N 0.00 1.48 -0.40 -1.42 5.04 -1.26 -4.95 117.35 115.84 2d97 s TYR 96 Ca 0.00 -0.71 -0.29 0.00 -2.44 0.00 0.00 57.07 53.64 2d97 s TYR 96 Cb 0.00 -1.20 0.00 0.00 0.35 0.00 0.00 41.96 41.11 2d97 s TYR 96 CO 0.00 -0.47 1.51 1.21 -1.34 0.00 0.00 175.55 176.46 2d97 s ASN 97 N 1.52 6.21 0.67 4.32 3.84 -1.26 -4.70 114.94 125.53 2d97 s ASN 97 Ca 0.01 0.92 0.29 0.00 0.21 0.00 0.00 52.86 54.29 2d97 s ASN 97 Cb -0.13 -2.54 1.56 0.00 -0.55 0.00 0.00 41.25 39.59 2d97 s ASN 97 CO -0.06 -1.52 1.88 1.55 -2.79 0.00 0.00 177.10 176.16 2d97 h PRO 98 N 11.30 0.00 -0.01 0.43 0.13 -1.96 0.10 132.00 141.99 2d97 h PRO 98 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2d97 h PRO 98 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2d97 h PRO 98 CO 1.08 0.00 -0.03 -1.13 -0.23 0.00 0.00 178.00 177.69 2d97 n SER 99 N -2.87 0.56 -4.62 1.44 3.41 -1.26 -4.91 113.62 105.38 2d97 n SER 99 Ca -0.02 -1.00 -0.49 0.00 -0.26 0.00 0.00 58.87 57.10 2d97 n SER 99 Cb 0.41 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.28 2d97 n SER 99 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2d97 n THR 100 N -0.66 0.23 0.00 6.66 -1.04 0.02 -1.09 114.28 118.39 2d97 n THR 100 Ca 0.20 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 2d97 n THR 100 Cb 0.23 -1.07 0.00 0.00 -1.82 0.00 0.00 70.33 67.67 2d97 n THR 100 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2d97 n GLY 101 N 2.65 2.55 3.89 3.41 0.00 -1.26 -5.03 105.19 111.39 2d97 n GLY 101 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2d97 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d97 s ALA 102 N -2.17 3.13 -0.15 4.61 0.00 -0.25 -5.03 121.76 121.90 2d97 s ALA 102 Ca 0.00 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.41 2d97 s ALA 102 Cb 0.00 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 2d97 s ALA 102 CO 0.00 -0.77 0.61 0.99 0.00 0.00 0.00 175.76 176.59 2d97 s THR 103 N -3.12 5.06 0.05 0.00 2.01 -0.43 -4.88 115.64 114.33 2d97 s THR 103 Ca 0.54 1.20 -0.30 0.00 0.31 0.00 0.00 61.69 63.44 2d97 s THR 103 Cb -0.11 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 2d97 s THR 103 CO 0.50 0.19 1.03 -0.75 -0.69 0.00 0.00 174.62 174.90 2d97 s LYS 104 N 1.35 4.56 -0.02 4.92 2.20 -1.26 -1.02 119.74 130.48 2d97 s LYS 104 Ca 0.30 1.51 0.13 0.00 -0.36 0.00 0.00 55.97 57.56 2d97 s LYS 104 Cb -0.16 -3.41 -0.20 0.00 -1.51 0.00 0.00 37.83 32.55 2d97 s LYS 104 CO 0.12 -0.03 0.27 1.28 -0.36 0.00 0.00 175.35 176.64 2d97 n LEU 105 N 3.58 0.00 0.00 5.43 4.32 -0.13 -4.96 117.00 125.24 2d97 n LEU 105 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 2d97 n LEU 105 Cb 0.49 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 2d97 n LEU 105 CO 0.53 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.32 2d97 n GLY 106 N 1.79 -0.51 3.13 -0.72 0.00 -1.23 -5.00 105.19 102.65 2d97 n GLY 106 Ca -0.03 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.96 2d97 n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d97 s GLU 107 N -1.73 0.70 -0.08 1.61 2.02 -1.26 -1.01 118.70 118.95 2d97 s GLU 107 Ca 0.00 -1.15 -0.08 0.00 0.02 0.00 0.00 54.97 53.76 2d97 s GLU 107 Cb 0.00 0.25 0.02 0.00 0.10 0.00 0.00 34.13 34.50 2d97 s GLU 107 CO 0.00 -0.17 0.22 0.54 0.02 0.00 0.00 175.26 175.88 2d97 s VAL 108 N -3.91 0.00 -0.30 2.63 0.11 -0.68 -4.94 120.40 113.31 2d97 s VAL 108 Ca 0.07 -0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 59.00 2d97 s VAL 108 Cb 0.07 -0.33 -0.01 0.00 -1.53 0.00 0.00 36.38 34.58 2d97 s VAL 108 CO -0.10 -0.02 0.15 -0.89 -3.33 0.00 0.00 175.10 170.92 2d97 s THR 109 N 0.05 4.64 -0.02 5.04 2.01 -1.26 0.43 115.64 126.54 2d97 s THR 109 Ca -0.01 -0.34 -0.09 0.00 0.31 0.00 0.00 61.69 61.56 2d97 s THR 109 Cb -0.02 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 69.17 2d97 s THR 109 CO 0.00 0.11 0.20 -0.55 -0.69 0.00 0.00 174.62 173.69 2d97 s SER 110 N 1.63 -0.08 -1.37 3.53 0.15 -0.07 -4.94 113.70 112.55 2d97 s SER 110 Ca 0.05 -0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.56 2d97 s SER 110 Cb -0.17 0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.44 2d97 s SER 110 CO 0.06 -0.34 0.23 0.47 1.20 0.00 0.00 173.24 174.87 2d97 n ASP 111 N 1.68 -0.82 0.00 5.45 8.00 -1.26 -1.49 116.55 128.10 2d97 n ASP 111 Ca -0.21 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.05 2d97 n ASP 111 Cb 0.56 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 2d97 n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2d97 n GLY 112 N -2.36 0.53 3.30 0.44 0.00 -1.26 -4.99 105.19 100.85 2d97 n GLY 112 Ca -0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 2d97 n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d97 s SER 113 N -2.20 -0.22 0.12 1.61 0.15 -0.55 -5.02 113.70 107.59 2d97 s SER 113 Ca 0.00 -0.10 -0.23 0.00 0.70 0.00 0.00 55.95 56.32 2d97 s SER 113 Cb 0.00 0.41 -0.07 0.00 -1.71 0.00 0.00 66.02 64.65 2d97 s SER 113 CO 0.00 -0.67 0.69 -0.69 1.20 0.00 0.00 173.24 173.77 2d97 s VAL 114 N -2.68 4.54 -0.00 4.45 1.01 -1.26 -0.89 120.40 125.56 2d97 s VAL 114 Ca -0.04 1.51 0.08 0.00 0.00 0.00 0.00 61.98 63.52 2d97 s VAL 114 Cb -0.00 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 2d97 s VAL 114 CO -0.04 0.53 -0.24 -0.31 0.00 0.00 0.00 175.10 175.04 2d97 s TYR 115 N -1.06 2.13 -0.13 5.22 1.51 0.17 -1.55 117.35 123.65 2d97 s TYR 115 Ca 0.33 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 55.83 2d97 s TYR 115 Cb -0.22 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.24 2d97 s TYR 115 CO 0.23 -0.00 0.39 -0.51 -1.11 0.00 0.00 175.55 174.55 2d97 s ASP 116 N -0.71 6.58 -0.14 2.29 1.01 -0.58 -1.68 116.67 123.46 2d97 s ASP 116 Ca 0.09 0.69 -0.10 0.00 0.71 0.00 0.00 52.55 53.94 2d97 s ASP 116 Cb -0.09 -2.24 -0.05 0.00 1.01 0.00 0.00 42.92 41.55 2d97 s ASP 116 CO -0.00 0.06 0.20 -0.63 0.21 0.00 0.00 175.17 175.00 2d97 s ILE 117 N 0.46 5.39 0.08 0.77 1.01 -0.18 -1.21 121.20 127.52 2d97 s ILE 117 Ca 0.22 0.34 -0.01 0.00 0.00 0.00 0.00 60.65 61.20 2d97 s ILE 117 Cb -0.14 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2d97 s ILE 117 CO 0.08 0.52 0.01 -0.31 0.00 0.00 0.00 174.94 175.24 2d97 s TYR 118 N -0.38 0.67 -0.03 3.97 1.51 -0.15 -0.96 117.35 121.99 2d97 s TYR 118 Ca 0.14 -1.14 -0.03 0.00 -1.01 0.00 0.00 57.07 55.04 2d97 s TYR 118 Cb -0.12 -0.43 0.01 0.00 -0.11 0.00 0.00 41.96 41.30 2d97 s TYR 118 CO 0.03 -0.43 0.07 0.50 -1.11 0.00 0.00 175.55 174.61 2d97 s ARG 119 N -3.97 0.09 0.05 -0.62 3.52 -0.19 -0.75 118.95 117.09 2d97 s ARG 119 Ca 0.14 0.09 -0.17 0.00 -0.13 0.00 0.00 55.73 55.66 2d97 s ARG 119 Cb 0.08 0.05 0.03 0.00 -1.56 0.00 0.00 34.95 33.55 2d97 s ARG 119 CO -0.05 -0.01 0.40 -0.08 -0.81 0.00 0.00 175.30 174.75 2d97 s THR 120 N 0.00 0.06 -0.16 4.11 -1.32 -0.63 -1.32 115.64 116.39 2d97 s THR 120 Ca -0.00 -0.49 -0.07 0.00 -1.21 0.00 0.00 61.69 59.91 2d97 s THR 120 Cb -0.01 -0.97 -0.04 0.00 -1.51 0.00 0.00 72.50 69.98 2d97 s THR 120 CO 0.00 -0.27 0.09 -1.58 -2.21 0.00 0.00 174.62 170.65 2d97 s GLN 121 N -2.58 3.73 -0.28 7.08 0.74 -1.26 -0.27 119.66 126.82 2d97 s GLN 121 Ca -0.05 -0.27 -0.11 0.00 0.05 0.00 0.00 55.36 54.98 2d97 s GLN 121 Cb -0.01 -3.18 -0.05 0.00 1.10 0.00 0.00 33.01 30.87 2d97 s GLN 121 CO -0.03 0.47 0.18 1.03 -0.55 0.00 0.00 175.29 176.39 2d97 s ARG 122 N -0.18 3.93 -0.26 1.67 1.81 0.86 -4.97 118.95 121.81 2d97 s ARG 122 Ca 0.09 -0.33 -0.10 0.00 -1.72 0.00 0.00 55.73 53.67 2d97 s ARG 122 Cb -0.12 -3.64 -0.04 0.00 -0.45 0.00 0.00 34.95 30.70 2d97 s ARG 122 CO 0.01 -0.18 0.14 0.08 -0.68 0.00 0.00 175.30 174.67 2d97 s VAL 123 N 1.75 4.95 -1.29 3.52 1.01 -1.26 -1.29 120.40 127.80 2d97 s VAL 123 Ca 0.07 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 2d97 s VAL 123 Cb -0.16 -3.34 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 2d97 s VAL 123 CO 0.10 0.29 0.60 -3.20 0.00 0.00 0.00 175.10 172.89 2d97 n ASN 124 N 4.93 -2.39 -4.57 3.32 2.85 -0.99 -4.92 115.26 113.49 2d97 n ASN 124 Ca -0.15 -1.00 -0.24 0.00 -0.11 0.00 0.00 54.58 53.09 2d97 n ASN 124 Cb 0.52 -3.26 -0.09 0.00 1.24 0.00 0.00 39.78 38.19 2d97 n ASN 124 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2d97 s GLN 125 N -6.29 1.97 0.83 1.20 -1.52 0.36 -4.68 119.66 111.52 2d97 s GLN 125 Ca 0.19 -1.67 -0.13 0.00 -1.95 0.00 0.00 55.36 51.80 2d97 s GLN 125 Cb -0.07 -1.92 0.09 0.00 -0.22 0.00 0.00 33.01 30.89 2d97 s GLN 125 CO 0.87 0.28 1.19 -2.30 -0.25 0.00 0.00 175.29 175.08 2d97 n PRO 126 N -0.79 0.09 -3.84 2.91 -0.02 -1.26 -1.10 135.00 130.99 2d97 n PRO 126 Ca -0.05 0.11 -0.06 0.00 -2.02 0.00 0.00 63.50 61.48 2d97 n PRO 126 Cb 0.60 -2.42 0.02 0.00 -0.02 0.00 0.00 33.50 31.68 2d97 n PRO 126 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2d97 s SER 127 N -2.19 -0.01 0.25 2.55 1.04 -1.06 -4.79 113.70 109.49 2d97 s SER 127 Ca 0.72 -0.89 0.20 0.00 0.48 0.00 0.00 55.95 56.47 2d97 s SER 127 Cb -0.28 0.68 0.97 0.00 0.10 0.00 0.00 66.02 67.48 2d97 s SER 127 CO 0.52 -1.35 1.62 2.30 0.98 0.00 0.00 173.24 177.32 2d97 n ILE 128 N -0.60 1.01 -1.37 -1.02 -5.35 -1.26 -1.93 119.36 108.84 2d97 n ILE 128 Ca -0.06 0.46 0.08 0.00 -0.27 0.00 0.00 62.75 62.96 2d97 n ILE 128 Cb 0.60 -1.41 0.18 0.00 -1.74 0.00 0.00 39.64 37.27 2d97 n ILE 128 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2d97 n ILE 129 N -2.15 2.04 -1.23 7.28 -5.35 -1.26 -5.11 119.36 113.59 2d97 n ILE 129 Ca 0.01 -2.78 0.00 0.00 -0.27 0.00 0.00 62.75 59.71 2d97 n ILE 129 Cb 0.13 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 37.80 2d97 n ILE 129 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2d97 n GLY 130 N -1.25 -2.15 3.68 3.28 0.00 -0.81 -4.91 105.19 103.02 2d97 n GLY 130 Ca 0.17 -1.84 -0.45 0.00 0.00 0.00 0.00 46.02 43.90 2d97 n GLY 130 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2d97 n THR 131 N -0.07 0.02 -3.75 2.61 -1.04 -1.26 -2.57 114.28 108.22 2d97 n THR 131 Ca 0.00 -0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 2d97 n THR 131 Cb 0.00 -1.63 -0.01 0.00 -1.82 0.00 0.00 70.33 66.87 2d97 n THR 131 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2d97 s ALA 132 N 1.04 -1.73 -0.19 2.41 0.00 -0.25 -4.89 121.76 118.15 2d97 s ALA 132 Ca 0.78 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.87 2d97 s ALA 132 Cb -0.64 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 2d97 s ALA 132 CO 0.37 -1.05 -0.03 0.99 0.00 0.00 0.00 175.76 176.04 2d97 s THR 133 N -3.11 3.65 0.00 0.00 2.01 -1.26 -0.49 115.64 116.44 2d97 s THR 133 Ca 0.13 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2d97 s THR 133 Cb -0.01 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.87 2d97 s THR 133 CO 0.02 0.45 0.00 2.22 -0.69 0.00 0.00 174.62 176.61 2d97 n PHE 134 N 4.24 0.00 -3.51 4.92 -1.74 -0.41 -4.95 117.46 116.01 2d97 n PHE 134 Ca -0.18 0.00 -0.00 0.00 -0.56 0.00 0.00 57.45 56.71 2d97 n PHE 134 Cb 0.52 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.47 2d97 n PHE 134 CO 0.00 0.00 0.00 -1.14 -0.56 0.00 0.00 176.76 175.06 2d97 s GLN 136 N 4.53 0.33 -0.06 3.97 0.74 0.62 -0.09 119.66 129.70 2d97 s GLN 136 Ca 0.00 0.70 -0.02 0.00 0.05 0.00 0.00 55.36 56.09 2d97 s GLN 136 Cb 0.00 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 34.36 2d97 s GLN 136 CO 0.00 -0.09 0.04 0.71 -0.55 0.00 0.00 175.29 175.40 2d97 s TYR 137 N 1.96 3.25 0.03 1.67 4.12 -0.79 -1.60 117.35 125.98 2d97 s TYR 137 Ca -0.05 0.23 0.04 0.00 0.02 0.00 0.00 57.07 57.31 2d97 s TYR 137 Cb -0.05 -1.78 -0.02 0.00 -1.52 0.00 0.00 41.96 38.59 2d97 s TYR 137 CO -0.16 0.53 -0.11 -1.58 0.02 0.00 0.00 175.55 174.24 2d97 s TRP 138 N -1.01 0.98 -0.19 2.71 0.52 0.07 -1.42 118.94 120.61 2d97 s TRP 138 Ca 0.17 -0.31 -0.03 0.00 0.02 0.00 0.00 56.10 55.94 2d97 s TRP 138 Cb -0.12 -0.60 0.06 0.00 -1.15 0.00 0.00 33.47 31.67 2d97 s TRP 138 CO 0.06 0.00 0.04 -1.12 0.02 0.00 0.00 176.95 175.95 2d97 s SER 139 N -0.93 2.78 -0.26 2.95 0.01 -0.50 -0.98 113.70 116.76 2d97 s SER 139 Ca 0.00 -0.76 -0.06 0.00 1.31 0.00 0.00 55.95 56.44 2d97 s SER 139 Cb -0.07 -0.54 -0.00 0.00 0.21 0.00 0.00 66.02 65.62 2d97 s SER 139 CO 0.01 -0.31 0.04 -0.69 0.41 0.00 0.00 173.24 172.70 2d97 s VAL 140 N 1.90 3.82 0.08 3.43 1.01 -0.35 -0.36 120.40 129.93 2d97 s VAL 140 Ca -0.00 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 2d97 s VAL 140 Cb -0.17 -2.87 -0.08 0.00 0.00 0.00 0.00 36.38 33.27 2d97 s VAL 140 CO -0.08 0.23 1.50 -0.60 0.00 0.00 0.00 175.10 176.15 2d97 s ARG 141 N 1.51 4.26 0.16 2.72 3.52 0.01 -1.52 118.95 129.60 2d97 s ARG 141 Ca 0.04 2.17 -0.09 0.00 -0.13 0.00 0.00 55.73 57.73 2d97 s ARG 141 Cb -0.16 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 2d97 s ARG 141 CO 0.01 -0.59 1.47 0.00 -0.81 0.00 0.00 175.30 175.38 2d97 h ARG 142 N 7.52 0.80 -4.16 5.12 3.08 -1.62 -3.38 114.38 121.74 2d97 h ARG 142 Ca -0.41 -0.47 -0.76 0.00 0.07 0.00 0.00 59.98 58.41 2d97 h ARG 142 Cb 1.20 0.04 -0.24 0.00 0.08 0.00 0.00 29.97 31.05 2d97 h ARG 142 CO 0.90 1.10 0.00 -0.80 -1.07 0.00 0.00 179.97 180.11 2d97 s ASN 143 N -6.90 6.40 0.53 7.04 0.01 -1.26 -5.04 114.94 115.72 2d97 s ASN 143 Ca -0.10 -2.04 -0.22 0.00 -0.71 0.00 0.00 52.86 49.79 2d97 s ASN 143 Cb 0.11 -2.24 -0.06 0.00 0.41 0.00 0.00 41.25 39.47 2d97 s ASN 143 CO 0.87 -0.82 1.25 1.41 -1.51 0.00 0.00 177.10 178.30 2d97 n HIS 144 N 5.09 1.91 -3.55 2.20 8.25 -1.26 -4.97 115.22 122.90 2d97 n HIS 144 Ca -0.02 0.45 -0.12 0.00 -0.26 0.00 0.00 57.72 57.78 2d97 n HIS 144 Cb 0.43 -2.31 -0.04 0.00 1.12 0.00 0.00 29.99 29.19 2d97 n HIS 144 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2d97 s ARG 145 N -2.71 1.14 -0.03 -0.41 1.70 -0.49 -5.00 118.95 113.15 2d97 s ARG 145 Ca 0.70 -0.54 0.11 0.00 -0.47 0.00 0.00 55.73 55.53 2d97 s ARG 145 Cb -0.44 0.51 0.31 0.00 -0.57 0.00 0.00 34.95 34.76 2d97 s ARG 145 CO 0.50 -0.46 1.25 0.43 -1.08 0.00 0.00 175.30 175.94 2d97 n SER 146 N -0.18 2.96 -3.53 -2.89 7.64 -1.26 -4.28 113.62 112.09 2d97 n SER 146 Ca -0.17 -2.17 -0.10 0.00 1.01 0.00 0.00 58.87 57.44 2d97 n SER 146 Cb 0.64 -0.26 -0.03 0.00 -1.01 0.00 0.00 64.21 63.55 2d97 n SER 146 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d97 s SER 147 N -1.17 -0.39 0.00 6.43 1.04 -1.26 -1.98 113.70 116.36 2d97 s SER 147 Ca 0.24 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.85 2d97 s SER 147 Cb 0.14 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2d97 s SER 147 CO 0.13 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2d97 n GLY 148 N 0.15 0.24 3.19 7.32 0.00 0.61 -4.96 105.19 111.74 2d97 n GLY 148 Ca -0.10 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.05 2d97 n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d97 s SER 149 N -4.00 2.23 -0.22 1.61 0.15 -1.26 -1.21 113.70 111.00 2d97 s SER 149 Ca 0.00 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.31 2d97 s SER 149 Cb 0.00 -0.24 0.05 0.00 -1.71 0.00 0.00 66.02 64.11 2d97 s SER 149 CO 0.00 0.23 -0.11 -0.69 1.20 0.00 0.00 173.24 173.87 2d97 s VAL 150 N -0.47 1.82 -0.86 4.45 1.01 0.19 -4.82 120.40 121.71 2d97 s VAL 150 Ca 0.07 -1.18 -0.22 0.00 0.00 0.00 0.00 61.98 60.65 2d97 s VAL 150 Cb -0.07 -1.89 0.08 0.00 0.00 0.00 0.00 36.38 34.50 2d97 s VAL 150 CO -0.01 0.14 1.20 0.21 0.00 0.00 0.00 175.10 176.64 2d97 s ASN 151 N 1.31 6.42 0.48 3.32 3.84 -1.26 -0.48 114.94 128.56 2d97 s ASN 151 Ca -0.03 -1.41 0.24 0.00 0.21 0.00 0.00 52.86 51.87 2d97 s ASN 151 Cb -0.17 -2.47 1.27 0.00 -0.55 0.00 0.00 41.25 39.33 2d97 s ASN 151 CO -0.08 -1.39 1.89 0.71 -2.79 0.00 0.00 177.10 175.45 2d97 h THR 152 N 6.16 0.64 -0.91 -5.21 1.35 -1.63 -1.49 112.91 111.84 2d97 h THR 152 Ca 0.00 -0.07 0.09 0.00 -0.55 0.00 0.00 66.41 65.88 2d97 h THR 152 Cb 1.04 0.43 -0.06 0.00 -1.73 0.00 0.00 68.15 67.82 2d97 h THR 152 CO 1.24 0.04 0.59 0.00 -0.25 0.00 0.00 175.52 177.13 2d97 h ALA 153 N 1.61 1.58 -0.72 6.62 0.00 -1.76 -1.46 119.26 125.13 2d97 h ALA 153 Ca 0.42 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.37 2d97 h ALA 153 Cb 1.33 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 2d97 h ALA 153 CO -0.09 0.25 0.42 -0.91 0.00 0.00 0.00 179.25 178.93 2d97 h ASN 154 N 0.95 0.65 -0.13 0.00 2.35 -1.61 0.08 115.58 117.88 2d97 h ASN 154 Ca 0.41 0.02 -0.18 0.00 -0.55 0.00 0.00 56.30 56.00 2d97 h ASN 154 Cb 0.34 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.60 2d97 h ASN 154 CO -0.17 0.43 -0.64 0.45 -1.65 0.00 0.00 177.43 175.84 2d97 h HIS 155 N 0.79 0.89 -0.69 1.19 3.86 -1.46 -1.69 115.15 118.04 2d97 h HIS 155 Ca 0.31 -0.39 -0.07 0.00 -1.16 0.00 0.00 60.37 59.06 2d97 h HIS 155 Cb 0.14 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 2d97 h HIS 155 CO -0.06 1.20 0.15 0.74 0.86 0.00 0.00 177.93 180.82 2d97 h PHE 156 N 0.32 1.17 -0.50 2.45 0.04 -1.06 0.12 116.94 119.50 2d97 h PHE 156 Ca -0.04 -0.15 -0.10 0.00 2.80 0.00 0.00 57.97 60.47 2d97 h PHE 156 Cb 1.28 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 39.08 2d97 h PHE 156 CO 0.10 0.96 -0.10 -0.91 -0.60 0.00 0.00 178.31 177.76 2d97 h ASN 157 N 1.05 0.91 -0.27 2.17 -0.26 -1.02 -0.21 115.58 117.94 2d97 h ASN 157 Ca 0.21 -0.28 -0.02 0.00 -0.56 0.00 0.00 56.30 55.64 2d97 h ASN 157 Cb 0.39 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 2d97 h ASN 157 CO 0.01 1.02 0.07 0.00 -1.06 0.00 0.00 177.43 177.47 2d97 h ALA 158 N 1.06 0.36 -0.61 -0.83 0.00 -0.89 -0.43 119.26 117.91 2d97 h ALA 158 Ca 0.13 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2d97 h ALA 158 Cb 0.63 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2d97 h ALA 158 CO 0.04 0.01 0.40 -1.49 0.00 0.00 0.00 179.25 178.21 2d97 h TRP 159 N 0.28 0.75 -1.00 0.00 6.55 -0.82 -1.41 115.95 120.29 2d97 h TRP 159 Ca 0.09 0.02 0.03 0.00 0.95 0.00 0.00 58.89 59.98 2d97 h TRP 159 Cb 0.27 -0.25 -0.06 0.00 -0.86 0.00 0.00 29.16 28.26 2d97 h TRP 159 CO 0.01 0.45 0.65 0.00 -1.05 0.00 0.00 178.44 178.51 2d97 h ALA 160 N 1.24 1.31 -0.26 1.49 0.00 -0.75 0.42 119.26 122.72 2d97 h ALA 160 Ca 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2d97 h ALA 160 Cb -0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 2d97 h ALA 160 CO -0.07 0.57 0.12 0.37 0.00 0.00 0.00 179.25 180.24 2d97 h GLN 161 N 1.28 0.35 -0.44 0.00 5.75 -0.05 0.14 115.11 122.15 2d97 h GLN 161 Ca 0.39 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 2d97 h GLN 161 Cb -0.04 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.44 2d97 h GLN 161 CO -0.11 0.28 0.00 1.04 -2.65 0.00 0.00 178.83 177.39 2d97 n GLN 162 N -4.45 2.04 -1.74 1.69 1.13 -0.15 -4.89 117.38 111.01 2d97 n GLN 162 Ca 0.01 -1.38 -0.03 0.00 -1.94 0.00 0.00 57.00 53.66 2d97 n GLN 162 Cb 0.11 -1.39 -0.00 0.00 0.11 0.00 0.00 30.24 29.07 2d97 n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2d97 n GLY 163 N 0.97 0.36 3.23 1.08 0.00 0.49 -5.01 105.19 106.32 2d97 n GLY 163 Ca 0.13 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2d97 n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d97 s LEU 164 N -0.74 6.11 0.37 0.99 1.43 0.13 -4.95 118.68 122.02 2d97 s LEU 164 Ca 0.00 -3.00 -0.26 0.00 -1.03 0.00 0.00 54.13 49.84 2d97 s LEU 164 Cb 0.00 -2.07 -0.09 0.00 0.03 0.00 0.00 46.19 44.06 2d97 s LEU 164 CO 0.00 -0.42 1.16 0.28 0.23 0.00 0.00 176.35 177.60 2d97 s THR 165 N -0.29 3.20 -0.05 5.49 -1.32 -1.26 -3.64 115.64 117.76 2d97 s THR 165 Ca 0.21 1.05 0.04 0.00 -1.21 0.00 0.00 61.69 61.77 2d97 s THR 165 Cb -0.13 -3.61 -0.03 0.00 -1.51 0.00 0.00 72.50 67.23 2d97 s THR 165 CO -0.08 0.13 -0.14 -0.76 -2.21 0.00 0.00 174.62 171.56 2d97 s LEU 166 N -2.26 2.72 0.00 9.08 1.43 -1.26 -4.87 118.68 123.52 2d97 s LEU 166 Ca 0.54 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 2d97 s LEU 166 Cb -0.31 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.36 2d97 s LEU 166 CO 0.40 0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.93 2d97 n GLY 167 N 2.33 1.28 3.69 -3.19 0.00 -1.25 -4.74 105.19 103.31 2d97 n GLY 167 Ca -0.17 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 2d97 n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d97 s THR 168 N 1.15 4.66 0.32 2.61 2.01 0.49 -4.65 115.64 122.23 2d97 s THR 168 Ca 0.00 1.93 -0.29 0.00 0.31 0.00 0.00 61.69 63.64 2d97 s THR 168 Cb 0.00 -4.24 -0.11 0.00 0.01 0.00 0.00 72.50 68.16 2d97 s THR 168 CO 0.00 0.02 1.54 -0.04 -0.69 0.00 0.00 174.62 175.45 2d97 s MET 169 N 1.91 4.13 0.00 4.92 1.00 -1.26 -0.11 119.30 129.89 2d97 s MET 169 Ca 0.51 2.55 0.00 0.00 0.00 0.00 0.00 55.69 58.75 2d97 s MET 169 Cb -0.20 -3.01 0.00 0.00 0.00 0.00 0.00 34.83 31.62 2d97 s MET 169 CO 0.20 -0.57 0.00 -3.47 0.00 0.00 0.00 175.02 171.18 2d97 n ASP 170 N 1.52 0.00 -4.67 3.03 2.03 0.10 -4.59 116.55 113.97 2d97 n ASP 170 Ca 0.05 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.06 2d97 n ASP 170 Cb 0.38 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 40.94 2d97 n ASP 170 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2d97 s TYR 171 N 3.86 1.90 -0.23 -0.67 -0.85 -1.26 -0.95 117.35 119.15 2d97 s TYR 171 Ca 0.00 1.53 -0.04 0.00 -0.52 0.00 0.00 57.07 58.04 2d97 s TYR 171 Cb 0.00 -3.20 0.12 0.00 0.38 0.00 0.00 41.96 39.26 2d97 s TYR 171 CO 0.00 -2.72 0.39 -1.14 -1.52 0.00 0.00 175.55 170.56 2d97 s GLN 172 N -4.73 0.34 0.22 -3.49 0.74 0.14 -2.39 119.66 110.48 2d97 s GLN 172 Ca 0.65 0.68 -0.00 0.00 0.05 0.00 0.00 55.36 56.74 2d97 s GLN 172 Cb -0.21 -0.24 -0.04 0.00 1.10 0.00 0.00 33.01 33.62 2d97 s GLN 172 CO 0.59 -0.53 0.12 0.96 -0.55 0.00 0.00 175.29 175.88 2d97 s ILE 173 N 2.56 0.15 -0.30 -2.34 -4.36 0.45 -0.00 121.20 117.35 2d97 s ILE 173 Ca 0.09 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.39 2d97 s ILE 173 Cb -0.14 -2.54 -0.01 0.00 1.25 0.00 0.00 42.46 41.02 2d97 s ILE 173 CO -0.15 0.00 0.13 -0.69 0.24 0.00 0.00 174.94 174.47 2d97 s VAL 174 N -4.05 4.44 0.15 8.37 1.01 -0.29 0.80 120.40 130.82 2d97 s VAL 174 Ca 0.39 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.97 2d97 s VAL 174 Cb 0.07 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2d97 s VAL 174 CO 0.12 0.09 -0.15 0.00 0.00 0.00 0.00 175.10 175.17 2d97 s ALA 175 N 1.59 1.69 -0.16 5.51 0.00 -0.01 -2.79 121.76 127.59 2d97 s ALA 175 Ca 0.04 -1.41 -0.03 0.00 0.00 0.00 0.00 51.96 50.56 2d97 s ALA 175 Cb -0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2d97 s ALA 175 CO 0.05 0.11 -0.05 0.08 0.00 0.00 0.00 175.76 175.95 2d97 s VAL 176 N -2.34 3.68 0.14 0.00 1.01 -0.29 -1.59 120.40 121.01 2d97 s VAL 176 Ca 0.13 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 61.78 2d97 s VAL 176 Cb -0.04 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2d97 s VAL 176 CO 0.04 0.49 -0.19 -0.70 0.00 0.00 0.00 175.10 174.74 2d97 s GLU 177 N 0.51 1.73 0.00 2.72 -6.30 -1.26 -2.00 118.70 114.10 2d97 s GLU 177 Ca -0.04 -1.27 0.00 0.00 -2.50 0.00 0.00 54.97 51.16 2d97 s GLU 177 Cb -0.15 -2.05 0.00 0.00 0.00 0.00 0.00 34.13 31.94 2d97 s GLU 177 CO 0.03 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.18 2d97 n GLY 178 N 0.61 4.28 1.82 -1.50 0.00 -0.67 -4.31 105.19 105.42 2d97 n GLY 178 Ca -0.15 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2d97 n GLY 178 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2d97 n PHE 180 N 0.00 0.00 -3.02 1.61 3.01 -0.11 -1.48 117.46 117.48 2d97 n PHE 180 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2d97 n PHE 180 Cb 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 2d97 n PHE 180 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2d97 n SER 181 N 2.04 0.00 -4.25 4.37 3.41 -1.24 -4.62 113.62 113.32 2d97 n SER 181 Ca 0.00 -0.94 -0.14 0.00 -0.26 0.00 0.00 58.87 57.53 2d97 n SER 181 Cb 0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.96 2d97 n SER 181 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d97 s SER 182 N -0.82 1.29 0.00 4.04 0.01 -1.06 -1.23 113.70 115.93 2d97 s SER 182 Ca 0.00 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.08 2d97 s SER 182 Cb 0.00 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.34 2d97 s SER 182 CO 0.00 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.70 2d97 n GLY 183 N -0.27 -2.50 3.26 3.44 0.00 -0.12 -0.01 105.19 108.99 2d97 n GLY 183 Ca -0.06 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 2d97 n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d97 s SER 184 N -0.92 -0.17 -0.06 1.61 1.04 -0.76 -0.61 113.70 113.83 2d97 s SER 184 Ca 0.00 -0.10 -0.30 0.00 0.48 0.00 0.00 55.95 56.03 2d97 s SER 184 Cb 0.00 0.36 0.08 0.00 0.10 0.00 0.00 66.02 66.57 2d97 s SER 184 CO 0.00 -0.59 0.76 0.00 0.98 0.00 0.00 173.24 174.38 2d97 s ALA 185 N -2.30 -1.80 -0.12 5.32 0.00 -0.35 -0.98 121.76 121.54 2d97 s ALA 185 Ca -0.07 1.31 -0.04 0.00 0.00 0.00 0.00 51.96 53.17 2d97 s ALA 185 Cb -0.02 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.08 2d97 s ALA 185 CO -0.02 -0.40 0.19 0.45 0.00 0.00 0.00 175.76 175.99 2d97 s SER 186 N -1.34 0.83 -0.02 0.00 0.15 -0.30 -1.30 113.70 111.73 2d97 s SER 186 Ca -0.07 0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.88 2d97 s SER 186 Cb -0.00 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.67 2d97 s SER 186 CO 0.06 -0.26 -0.12 -0.63 1.20 0.00 0.00 173.24 173.49 2d97 s ILE 187 N 2.32 0.96 -0.16 6.45 -1.09 -0.38 -1.24 121.20 128.05 2d97 s ILE 187 Ca 0.03 -0.50 -0.01 0.00 -2.23 0.00 0.00 60.65 57.95 2d97 s ILE 187 Cb -0.13 -0.81 -0.01 0.00 -1.58 0.00 0.00 42.46 39.93 2d97 s ILE 187 CO -0.07 0.28 -0.12 -0.89 -1.23 0.00 0.00 174.94 172.90 2d97 s THR 188 N -0.14 2.89 0.08 2.92 2.01 -0.06 -1.37 115.64 121.97 2d97 s THR 188 Ca 0.02 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.37 2d97 s THR 188 Cb -0.06 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 2d97 s THR 188 CO -0.00 0.50 0.03 -0.69 -0.69 0.00 0.00 174.62 173.77 2d97 s VAL 189 N 0.87 4.21 0.00 3.82 1.01 -0.13 -2.26 120.40 127.93 2d97 s VAL 189 Ca -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2d97 s VAL 189 Cb -0.15 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.22 2d97 s VAL 189 CO -0.00 0.13 0.00 -1.54 0.00 0.00 0.00 175.10 173.69