#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ca1 s SER 2 N 0.00 1.98 0.07 1.09 1.04 -1.26 -2.53 113.70 114.09 3ca1 s SER 2 Ca 0.00 -0.74 -0.10 0.00 0.48 0.00 0.00 55.95 55.59 3ca1 s SER 2 Cb 0.00 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3ca1 s SER 2 CO 0.00 -0.10 0.22 0.72 0.98 0.00 0.00 173.24 175.06 3ca1 s PHE 3 N -1.77 0.07 -0.03 5.02 -0.12 -0.93 -4.98 117.98 115.23 3ca1 s PHE 3 Ca 0.05 -0.39 0.04 0.00 -0.05 0.00 0.00 56.93 56.59 3ca1 s PHE 3 Cb -0.07 -0.01 -0.00 0.00 -0.63 0.00 0.00 43.02 42.30 3ca1 s PHE 3 CO 0.03 -0.51 -0.15 0.99 -0.05 0.00 0.00 175.22 175.53 3ca1 s THR 4 N -3.28 1.27 0.25 -4.49 2.01 -1.26 -0.50 115.64 109.64 3ca1 s THR 4 Ca 0.00 -0.64 -0.08 0.00 0.31 0.00 0.00 61.69 61.29 3ca1 s THR 4 Cb 0.02 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 3ca1 s THR 4 CO -0.08 0.37 0.37 -0.13 -0.69 0.00 0.00 174.62 174.46 3ca1 s ARG 5 N 0.01 1.50 0.57 4.92 1.81 -0.13 -4.90 118.95 122.73 3ca1 s ARG 5 Ca -0.02 -1.44 -0.05 0.00 -1.72 0.00 0.00 55.73 52.50 3ca1 s ARG 5 Cb -0.10 0.41 0.00 0.00 -0.45 0.00 0.00 34.95 34.81 3ca1 s ARG 5 CO 0.01 -0.59 0.88 -0.80 -0.68 0.00 0.00 175.30 174.12 3ca1 s ASN 6 N -3.09 5.65 -0.21 0.23 -0.87 -0.31 -0.38 114.94 115.96 3ca1 s ASN 6 Ca 0.29 0.70 0.01 0.00 -1.57 0.00 0.00 52.86 52.28 3ca1 s ASN 6 Cb 0.02 -1.73 0.05 0.00 -0.02 0.00 0.00 41.25 39.57 3ca1 s ASN 6 CO 0.12 -1.01 -0.08 -0.63 -2.57 0.00 0.00 177.10 172.93 3ca1 s ILE 7 N -2.95 1.56 -0.16 0.60 1.01 -1.26 -1.76 121.20 118.24 3ca1 s ILE 7 Ca 0.53 -1.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.00 3ca1 s ILE 7 Cb -0.10 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 3ca1 s ILE 7 CO 0.45 0.04 0.17 -0.69 0.00 0.00 0.00 174.94 174.91 3ca1 s VAL 8 N 1.41 5.41 0.00 2.92 1.01 0.19 -1.10 120.40 130.24 3ca1 s VAL 8 Ca -0.03 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3ca1 s VAL 8 Cb -0.17 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3ca1 s VAL 8 CO -0.07 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.13 3ca1 n GLY 9 N 2.93 5.36 3.62 4.51 0.00 0.00 -0.30 105.19 121.32 3ca1 n GLY 9 Ca -0.17 -0.84 -0.51 0.00 0.00 0.00 0.00 46.02 44.50 3ca1 n GLY 9 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ca1 n ARG 10 N 0.00 1.41 -1.50 1.61 0.63 -1.26 -0.26 116.66 117.30 3ca1 n ARG 10 Ca 0.00 0.51 -0.17 0.00 -0.92 0.00 0.00 57.85 57.27 3ca1 n ARG 10 Cb 0.00 -2.19 -0.07 0.00 0.45 0.00 0.00 32.46 30.65 3ca1 n ARG 10 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3ca1 n ASP 11 N 3.04 -5.53 0.00 6.15 9.92 -1.26 -2.25 116.55 126.63 3ca1 n ASP 11 Ca 0.19 0.43 0.00 0.00 -0.53 0.00 0.00 54.79 54.87 3ca1 n ASP 11 Cb 0.21 -4.59 0.00 0.00 -0.64 0.00 0.00 41.12 36.10 3ca1 n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ca1 n GLY 12 N -0.15 0.66 3.80 0.44 0.00 0.65 -5.04 105.19 105.55 3ca1 n GLY 12 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3ca1 n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca1 s LEU 13 N 0.00 2.19 0.21 0.99 1.02 -0.95 -4.60 118.68 117.55 3ca1 s LEU 13 Ca 0.00 1.01 0.10 0.00 0.02 0.00 0.00 54.13 55.26 3ca1 s LEU 13 Cb 0.00 -3.42 -0.04 0.00 0.02 0.00 0.00 46.19 42.75 3ca1 s LEU 13 CO 0.00 -2.34 -0.16 0.00 0.02 0.00 0.00 176.35 173.87 3ca1 s VAL 15 N -1.92 3.84 -0.03 0.00 1.01 -0.26 -1.47 120.40 121.57 3ca1 s VAL 15 Ca 0.25 1.14 -0.01 0.00 0.00 0.00 0.00 61.98 63.36 3ca1 s VAL 15 Cb -0.07 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.60 3ca1 s VAL 15 CO 0.14 -0.05 0.05 -0.62 0.00 0.00 0.00 175.10 174.63 3ca1 s ASP 16 N 2.20 0.15 -0.18 3.32 -1.08 -0.00 -4.47 116.67 116.60 3ca1 s ASP 16 Ca 0.63 0.09 -0.29 0.00 -0.52 0.00 0.00 52.55 52.46 3ca1 s ASP 16 Cb -0.29 -0.03 -0.01 0.00 -1.46 0.00 0.00 42.92 41.13 3ca1 s ASP 16 CO 0.24 -0.15 1.22 -0.69 0.52 0.00 0.00 175.17 176.32 3ca1 s VAL 17 N 1.22 4.35 0.17 1.11 1.01 -0.48 -0.81 120.40 126.96 3ca1 s VAL 17 Ca -0.08 1.63 -0.32 0.00 0.00 0.00 0.00 61.98 63.21 3ca1 s VAL 17 Cb -0.13 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.07 3ca1 s VAL 17 CO -0.04 -0.15 1.71 -1.14 0.00 0.00 0.00 175.10 175.48 3ca1 n ARG 18 N 6.58 2.59 -0.81 2.72 0.63 -0.73 -1.06 116.66 126.57 3ca1 n ARG 18 Ca 0.14 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 58.00 3ca1 n ARG 18 Cb 0.45 -2.77 0.00 0.00 0.45 0.00 0.00 32.46 30.59 3ca1 n ARG 18 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3ca1 n ASN 19 N 4.21 -1.68 -0.54 6.15 3.02 -1.26 -2.59 115.26 122.58 3ca1 n ASN 19 Ca 0.17 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.65 3ca1 n ASN 19 Cb 0.33 -1.75 -0.03 0.00 -0.61 0.00 0.00 39.78 37.72 3ca1 n ASN 19 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ca1 n GLY 20 N -1.52 0.84 3.76 7.41 0.00 -0.23 -5.01 105.19 110.45 3ca1 n GLY 20 Ca 0.00 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 3ca1 n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ca1 s TYR 21 N -1.99 3.63 -1.50 1.61 2.02 -1.07 -4.95 117.35 115.10 3ca1 s TYR 21 Ca 0.00 1.75 0.16 0.00 -0.37 0.00 0.00 57.07 58.61 3ca1 s TYR 21 Cb 0.00 -3.14 0.41 0.00 -0.40 0.00 0.00 41.96 38.83 3ca1 s TYR 21 CO 0.00 -0.24 1.33 -0.40 -1.57 0.00 0.00 175.55 174.67 3ca1 n ASP 22 N 0.96 3.25 -4.77 2.29 5.75 -1.26 -4.71 116.55 118.06 3ca1 n ASP 22 Ca 0.00 -1.96 -0.39 0.00 -0.01 0.00 0.00 54.79 52.44 3ca1 n ASP 22 Cb 0.47 -0.30 -0.01 0.00 -1.03 0.00 0.00 41.12 40.25 3ca1 n ASP 22 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3ca1 s THR 23 N -1.06 2.72 0.22 2.12 -4.23 -1.26 -4.91 115.64 109.24 3ca1 s THR 23 Ca 0.33 0.62 -0.31 0.00 -1.18 0.00 0.00 61.69 61.14 3ca1 s THR 23 Cb 0.18 -3.36 -0.14 0.00 1.34 0.00 0.00 72.50 70.52 3ca1 s THR 23 CO 0.23 0.07 1.27 0.47 -0.54 0.00 0.00 174.62 176.13 3ca1 n ASP 24 N 0.01 2.06 0.00 3.99 8.00 -1.26 -2.17 116.55 127.18 3ca1 n ASP 24 Ca 0.04 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.69 3ca1 n ASP 24 Cb 0.44 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 3ca1 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ca1 n GLY 25 N 1.97 0.86 3.70 0.44 0.00 0.47 -5.01 105.19 107.63 3ca1 n GLY 25 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3ca1 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ca1 s THR 26 N -2.60 2.86 0.84 2.61 2.01 -0.92 -4.72 115.64 115.73 3ca1 s THR 26 Ca 0.00 0.51 -0.12 0.00 0.31 0.00 0.00 61.69 62.39 3ca1 s THR 26 Cb 0.00 -3.33 0.09 0.00 0.01 0.00 0.00 72.50 69.28 3ca1 s THR 26 CO 0.00 0.02 1.10 -2.16 -0.69 0.00 0.00 174.62 172.89 3ca1 s PRO 27 N 1.80 1.73 0.12 4.92 0.04 -1.26 -0.87 135.00 141.48 3ca1 s PRO 27 Ca 0.71 0.64 -0.09 0.00 0.04 0.00 0.00 61.00 62.30 3ca1 s PRO 27 Cb -0.41 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 3ca1 s PRO 27 CO 0.31 -1.86 0.42 -0.51 0.04 0.00 0.00 177.00 175.41 3ca1 s LEU 28 N -5.93 4.31 0.20 -3.56 1.43 -0.38 -1.78 118.68 112.97 3ca1 s LEU 28 Ca 0.62 0.79 -0.06 0.00 -1.03 0.00 0.00 54.13 54.45 3ca1 s LEU 28 Cb -0.15 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 3ca1 s LEU 28 CO 0.55 0.11 0.25 0.00 0.23 0.00 0.00 176.35 177.49 3ca1 s GLN 29 N -2.18 1.28 0.17 1.70 -2.07 0.01 -1.19 119.66 117.37 3ca1 s GLN 29 Ca 0.37 -1.44 -0.27 0.00 -1.82 0.00 0.00 55.36 52.20 3ca1 s GLN 29 Cb -0.13 0.34 -0.08 0.00 -1.09 0.00 0.00 33.01 32.05 3ca1 s GLN 29 CO 0.20 -0.46 0.83 -0.51 -1.32 0.00 0.00 175.29 174.03 3ca1 s LEU 30 N -3.08 4.59 -0.06 2.60 1.43 -0.28 -0.82 118.68 123.06 3ca1 s LEU 30 Ca 0.30 1.72 -0.21 0.00 -1.03 0.00 0.00 54.13 54.91 3ca1 s LEU 30 Cb 0.04 -3.39 0.04 0.00 0.03 0.00 0.00 46.19 42.91 3ca1 s LEU 30 CO 0.09 0.16 0.47 0.86 0.23 0.00 0.00 176.35 178.15 3ca1 s TRP 31 N -0.98 -0.40 0.27 0.29 -0.11 -0.54 -0.63 118.94 116.83 3ca1 s TRP 31 Ca 0.38 0.74 -0.29 0.00 1.22 0.00 0.00 56.10 58.15 3ca1 s TRP 31 Cb -0.24 0.22 -0.14 0.00 -1.50 0.00 0.00 33.47 31.81 3ca1 s TRP 31 CO 0.28 -0.44 1.09 -2.30 -4.62 0.00 0.00 176.95 170.96 3ca1 n PRO 32 N 1.42 1.43 -2.25 5.86 -0.02 -1.26 -0.76 135.00 139.41 3ca1 n PRO 32 Ca -0.19 0.50 -0.39 0.00 -2.02 0.00 0.00 63.50 61.40 3ca1 n PRO 32 Cb 0.56 -1.94 -0.02 0.00 -0.02 0.00 0.00 33.50 32.09 3ca1 n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ca1 n GLY 34 N 0.78 2.07 0.63 0.00 0.00 -1.26 -5.05 105.19 102.36 3ca1 n GLY 34 Ca 0.02 -1.09 0.13 0.00 0.00 0.00 0.00 46.02 45.08 3ca1 n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ca1 n THR 35 N -0.05 0.00 -1.70 2.61 -2.24 -1.26 -4.86 114.28 106.78 3ca1 n THR 35 Ca -0.01 -0.33 -0.39 0.00 -2.27 0.00 0.00 64.05 61.05 3ca1 n THR 35 Cb 0.06 0.94 0.04 0.00 -2.10 0.00 0.00 70.33 69.26 3ca1 n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ca1 n GLN 36 N 0.50 1.54 0.18 -0.78 0.00 -1.26 -4.84 117.38 112.72 3ca1 n GLN 36 Ca 0.15 0.57 0.12 0.00 0.00 0.00 0.00 57.00 57.84 3ca1 n GLN 36 Cb 0.46 -2.41 0.65 0.00 0.00 0.00 0.00 30.24 28.94 3ca1 n GLN 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ca1 h ARG 37 N 1.37 0.00 0.00 2.61 2.47 -1.94 -0.27 114.38 118.63 3ca1 h ARG 37 Ca -0.49 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 3ca1 h ARG 37 Cb 1.32 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 3ca1 h ARG 37 CO 0.56 0.00 0.00 0.27 0.56 0.00 0.00 179.97 181.37 3ca1 n ASN 38 N -4.49 0.00 -0.14 7.04 6.94 -1.26 -1.79 115.26 121.56 3ca1 n ASN 38 Ca 0.01 -1.16 0.02 0.00 -0.02 0.00 0.00 54.58 53.42 3ca1 n ASN 38 Cb 0.24 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.68 3ca1 n ASN 38 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ca1 n GLN 39 N -0.80 -0.10 -3.55 -3.83 6.02 -0.11 -1.38 117.38 113.62 3ca1 n GLN 39 Ca 0.12 -0.82 -0.40 0.00 -0.01 0.00 0.00 57.00 55.89 3ca1 n GLN 39 Cb 0.05 -1.06 -0.11 0.00 1.02 0.00 0.00 30.24 30.14 3ca1 n GLN 39 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3ca1 s ARG 40 N -0.36 3.56 -0.16 -1.09 1.81 -0.74 -4.25 118.95 117.72 3ca1 s ARG 40 Ca 0.04 -0.59 -0.01 0.00 -1.72 0.00 0.00 55.73 53.45 3ca1 s ARG 40 Cb 0.03 -3.75 -0.01 0.00 -0.45 0.00 0.00 34.95 30.76 3ca1 s ARG 40 CO 0.04 -0.39 -0.11 -1.58 -0.68 0.00 0.00 175.30 172.58 3ca1 s TRP 41 N 1.72 2.85 -0.25 -0.53 0.52 0.49 -4.36 118.94 119.39 3ca1 s TRP 41 Ca 0.06 -0.81 -0.09 0.00 0.02 0.00 0.00 56.10 55.28 3ca1 s TRP 41 Cb -0.17 -1.93 -0.04 0.00 -1.15 0.00 0.00 33.47 30.18 3ca1 s TRP 41 CO 0.10 -0.36 0.13 0.99 0.02 0.00 0.00 176.95 177.83 3ca1 s THR 42 N 0.75 4.92 -0.20 2.01 2.01 0.74 -0.96 115.64 124.91 3ca1 s THR 42 Ca -0.05 0.03 -0.13 0.00 0.31 0.00 0.00 61.69 61.86 3ca1 s THR 42 Cb -0.15 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 3ca1 s THR 42 CO 0.01 0.33 0.24 -0.36 -0.69 0.00 0.00 174.62 174.16 3ca1 s PHE 43 N 1.35 3.38 0.30 4.92 0.40 0.35 -0.80 117.98 127.89 3ca1 s PHE 43 Ca 0.06 0.43 0.11 0.00 -0.60 0.00 0.00 56.93 56.93 3ca1 s PHE 43 Cb -0.15 -2.33 -0.05 0.00 0.51 0.00 0.00 43.02 41.00 3ca1 s PHE 43 CO 0.06 0.13 -0.13 0.34 0.70 0.00 0.00 175.22 176.32 3ca1 s ASP 44 N 0.78 3.81 0.66 1.36 2.15 -1.10 -2.20 116.67 122.13 3ca1 s ASP 44 Ca 0.13 -1.02 0.23 0.00 0.43 0.00 0.00 52.55 52.32 3ca1 s ASP 44 Cb -0.13 -0.40 1.28 0.00 -0.30 0.00 0.00 42.92 43.36 3ca1 s ASP 44 CO 0.04 -0.06 1.72 0.77 -0.17 0.00 0.00 175.17 177.47 3ca1 h SER 45 N 2.11 0.00 -0.19 -0.34 4.64 -1.84 -1.05 113.55 116.88 3ca1 h SER 45 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3ca1 h SER 45 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3ca1 h SER 45 CO 0.63 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.69 3ca1 n ASP 46 N -2.80 1.17 0.00 4.97 5.75 -1.26 -4.92 116.55 119.46 3ca1 n ASP 46 Ca -0.02 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 3ca1 n ASP 46 Cb 0.51 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 3ca1 n ASP 46 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3ca1 n ASP 47 N 0.10 -1.56 -4.87 -1.12 9.92 -0.40 -4.92 116.55 113.70 3ca1 n ASP 47 Ca 0.10 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 54.05 3ca1 n ASP 47 Cb 0.20 -0.76 -0.01 0.00 -0.64 0.00 0.00 41.12 39.92 3ca1 n ASP 47 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3ca1 s THR 48 N -2.71 4.71 -0.14 -3.53 -4.23 -1.26 -1.95 115.64 106.54 3ca1 s THR 48 Ca 0.00 0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 61.30 3ca1 s THR 48 Cb 0.00 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 70.06 3ca1 s THR 48 CO 0.00 -0.91 -0.01 -0.63 -0.54 0.00 0.00 174.62 172.53 3ca1 s ILE 49 N -2.87 0.68 0.03 2.99 1.01 -1.26 -2.71 121.20 119.07 3ca1 s ILE 49 Ca 0.54 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.96 3ca1 s ILE 49 Cb -0.11 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 3ca1 s ILE 49 CO 0.44 0.10 -0.25 -0.13 0.00 0.00 0.00 174.94 175.10 3ca1 s ARG 50 N 1.82 1.92 -0.00 2.79 0.52 0.02 -0.46 118.95 125.56 3ca1 s ARG 50 Ca 0.02 -1.04 0.01 0.00 -0.52 0.00 0.00 55.73 54.20 3ca1 s ARG 50 Cb -0.14 -2.03 -0.00 0.00 0.52 0.00 0.00 34.95 33.29 3ca1 s ARG 50 CO -0.07 0.53 -0.02 0.45 0.02 0.00 0.00 175.30 176.21 3ca1 s SER 51 N -1.12 0.29 -1.29 0.23 0.15 -0.08 -0.18 113.70 111.71 3ca1 s SER 51 Ca 0.12 -0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.71 3ca1 s SER 51 Cb -0.10 -0.04 0.01 0.00 -1.71 0.00 0.00 66.02 64.18 3ca1 s SER 51 CO 0.02 0.02 0.12 0.23 1.20 0.00 0.00 173.24 174.83 3ca1 n MET 52 N 3.08 -2.50 -0.94 5.44 2.81 -1.26 -1.43 117.12 122.32 3ca1 n MET 52 Ca -0.13 0.70 0.00 0.00 -1.81 0.00 0.00 57.70 56.46 3ca1 n MET 52 Cb 0.59 -5.35 0.00 0.00 -0.71 0.00 0.00 33.22 27.74 3ca1 n MET 52 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ca1 n GLY 53 N -0.96 0.86 3.63 3.03 0.00 -1.26 -5.01 105.19 105.48 3ca1 n GLY 53 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 3ca1 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ca1 s LYS 54 N -0.06 2.00 -0.09 1.61 1.02 -0.51 -4.70 119.74 119.01 3ca1 s LYS 54 Ca 0.00 -2.02 -0.03 0.00 0.02 0.00 0.00 55.97 53.94 3ca1 s LYS 54 Cb 0.00 -1.73 -0.04 0.00 -0.52 0.00 0.00 37.83 35.55 3ca1 s LYS 54 CO 0.00 -0.03 0.05 0.00 -0.92 0.00 0.00 175.35 174.45 3ca1 n MET 56 N 2.05 2.84 -4.00 0.00 1.56 0.39 -1.32 117.12 118.63 3ca1 n MET 56 Ca -0.19 1.04 -0.18 0.00 -0.27 0.00 0.00 57.70 58.10 3ca1 n MET 56 Cb 0.54 -2.95 -0.16 0.00 2.15 0.00 0.00 33.22 32.80 3ca1 n MET 56 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 3ca1 s THR 57 N 3.10 0.28 -0.13 1.12 2.01 0.75 -4.42 115.64 118.35 3ca1 s THR 57 Ca 0.83 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.56 3ca1 s THR 57 Cb -0.46 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 3ca1 s THR 57 CO 0.38 0.17 1.30 0.00 -0.69 0.00 0.00 174.62 175.78 3ca1 s ALA 58 N 0.96 3.63 -1.18 7.40 0.00 -0.06 -0.58 121.76 131.93 3ca1 s ALA 58 Ca -0.11 0.56 -0.07 0.00 0.00 0.00 0.00 51.96 52.33 3ca1 s ALA 58 Cb -0.14 -3.62 0.23 0.00 0.00 0.00 0.00 23.12 19.60 3ca1 s ALA 58 CO -0.01 -1.12 1.63 -1.71 0.00 0.00 0.00 175.76 174.55 3ca1 n ASN 59 N 6.38 5.69 0.00 0.00 5.15 0.63 -4.73 115.26 128.39 3ca1 n ASN 59 Ca 0.14 -3.22 0.00 0.00 -0.60 0.00 0.00 54.58 50.90 3ca1 n ASN 59 Cb 0.45 -1.39 0.00 0.00 -0.53 0.00 0.00 39.78 38.30 3ca1 n ASN 59 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ca1 n GLY 60 N 2.28 2.47 2.57 8.20 0.00 -1.26 -4.10 105.19 115.34 3ca1 n GLY 60 Ca 0.33 -1.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 3ca1 n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ca1 n LEU 61 N 0.00 3.06 -4.16 0.99 4.77 -1.26 -4.80 117.00 115.60 3ca1 n LEU 61 Ca 0.00 -5.37 -0.10 0.00 -0.03 0.00 0.00 56.01 50.51 3ca1 n LEU 61 Cb 0.00 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 40.81 3ca1 n LEU 61 CO 0.00 2.24 -0.32 0.20 -1.33 0.00 0.00 177.39 178.18 3ca1 s ASN 62 N -2.75 0.58 -0.10 -1.43 0.01 -1.26 -4.91 114.94 105.08 3ca1 s ASN 62 Ca 0.43 -1.15 -0.29 0.00 -0.71 0.00 0.00 52.86 51.14 3ca1 s ASN 62 Cb 0.25 0.23 -0.06 0.00 0.41 0.00 0.00 41.25 42.08 3ca1 s ASN 62 CO -0.09 -0.66 1.85 0.21 -1.51 0.00 0.00 177.10 176.90 3ca1 s ASN 63 N -3.05 6.30 0.00 -1.22 2.47 -1.26 -1.49 114.94 116.69 3ca1 s ASN 63 Ca 0.20 2.17 0.00 0.00 0.42 0.00 0.00 52.86 55.65 3ca1 s ASN 63 Cb 0.07 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 3ca1 s ASN 63 CO -0.00 -1.24 0.00 0.61 -3.72 0.00 0.00 177.10 172.75 3ca1 n GLY 64 N 4.70 0.44 3.78 1.21 0.00 0.11 -5.01 105.19 110.41 3ca1 n GLY 64 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3ca1 n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ca1 s SER 65 N -2.56 6.37 0.45 1.61 0.01 -0.56 -4.71 113.70 114.31 3ca1 s SER 65 Ca 0.00 2.96 -0.22 0.00 1.31 0.00 0.00 55.95 60.00 3ca1 s SER 65 Cb 0.00 -2.66 -0.09 0.00 0.21 0.00 0.00 66.02 63.48 3ca1 s SER 65 CO 0.00 -0.84 1.04 0.20 0.41 0.00 0.00 173.24 174.05 3ca1 s ASN 66 N -0.26 6.55 -0.14 2.44 0.01 -1.26 -0.36 114.94 121.92 3ca1 s ASN 66 Ca 0.53 1.96 -0.05 0.00 -0.71 0.00 0.00 52.86 54.60 3ca1 s ASN 66 Cb -0.45 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 38.61 3ca1 s ASN 66 CO 0.60 -0.64 0.02 -0.63 -1.51 0.00 0.00 177.10 174.94 3ca1 s ILE 67 N -1.85 4.40 0.28 0.60 1.01 -0.92 -0.27 121.20 124.45 3ca1 s ILE 67 Ca 0.63 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 61.12 3ca1 s ILE 67 Cb -0.18 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 3ca1 s ILE 67 CO 0.23 0.52 0.15 0.68 0.00 0.00 0.00 174.94 176.52 3ca1 s VAL 68 N -0.09 0.29 0.04 2.92 -7.23 0.25 -1.25 120.40 115.33 3ca1 s VAL 68 Ca 0.05 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.10 3ca1 s VAL 68 Cb -0.13 -2.53 -0.06 0.00 0.56 0.00 0.00 36.38 34.22 3ca1 s VAL 68 CO 0.02 0.00 0.40 -0.51 -0.31 0.00 0.00 175.10 174.69 3ca1 s ILE 69 N -3.72 5.08 -0.17 -0.62 1.10 -0.05 -0.18 121.20 122.63 3ca1 s ILE 69 Ca 0.37 0.61 -0.24 0.00 -0.51 0.00 0.00 60.65 60.87 3ca1 s ILE 69 Cb 0.06 -3.66 0.06 0.00 0.15 0.00 0.00 42.46 39.07 3ca1 s ILE 69 CO 0.16 0.42 0.63 0.12 -2.11 0.00 0.00 174.94 174.16 3ca1 s PHE 70 N -1.26 -0.65 -0.17 3.50 5.36 -0.44 -0.40 117.98 123.93 3ca1 s PHE 70 Ca 0.29 1.44 -0.42 0.00 -0.96 0.00 0.00 56.93 57.28 3ca1 s PHE 70 Cb -0.15 0.28 -0.19 0.00 -0.34 0.00 0.00 43.02 42.62 3ca1 s PHE 70 CO 0.16 -0.42 1.37 -1.71 -1.46 0.00 0.00 175.22 173.16 3ca1 n ASN 71 N 2.10 1.00 0.17 6.13 2.85 -1.26 -0.49 115.26 125.77 3ca1 n ASN 71 Ca -0.16 1.15 0.02 0.00 -0.11 0.00 0.00 54.58 55.48 3ca1 n ASN 71 Cb 0.56 -0.99 0.31 0.00 1.24 0.00 0.00 39.78 40.90 3ca1 n ASN 71 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ca1 h SER 73 N 0.00 0.15 0.28 0.00 0.02 -1.97 -3.37 113.55 108.66 3ca1 h SER 73 Ca -0.00 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 3ca1 h SER 73 Cb 0.78 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.26 3ca1 h SER 73 CO 0.06 1.13 -1.75 0.35 -1.14 0.00 0.00 176.83 175.48 3ca1 n THR 74 N -3.40 0.26 -1.22 -2.27 -2.24 -1.18 -4.93 114.28 99.29 3ca1 n THR 74 Ca -0.04 -0.53 -0.33 0.00 -2.27 0.00 0.00 64.05 60.88 3ca1 n THR 74 Cb 0.97 -0.13 0.11 0.00 -2.10 0.00 0.00 70.33 69.19 3ca1 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ca1 s ALA 75 N -3.42 1.98 0.22 6.98 0.00 -0.78 -4.97 121.76 121.76 3ca1 s ALA 75 Ca -0.06 0.69 -0.31 0.00 0.00 0.00 0.00 51.96 52.29 3ca1 s ALA 75 Cb 0.12 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 3ca1 s ALA 75 CO 0.87 -2.07 1.52 0.00 0.00 0.00 0.00 175.76 176.08 3ca1 s ALA 76 N -2.32 3.72 0.23 0.00 0.00 -1.26 -4.92 121.76 117.20 3ca1 s ALA 76 Ca 0.70 1.38 -0.07 0.00 0.00 0.00 0.00 51.96 53.98 3ca1 s ALA 76 Cb -0.25 -3.60 0.33 0.00 0.00 0.00 0.00 23.12 19.60 3ca1 s ALA 76 CO 0.50 -0.79 1.79 0.93 0.00 0.00 0.00 175.76 178.19 3ca1 h GLU 77 N 5.81 0.64 0.00 0.00 4.39 -1.93 -0.81 114.58 122.68 3ca1 h GLU 77 Ca -0.45 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 3ca1 h GLU 77 Cb 1.21 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3ca1 h GLU 77 CO 0.84 0.43 -0.11 -2.95 -1.16 0.00 0.00 179.01 176.06 3ca1 h ASN 78 N 0.66 0.00 1.30 1.42 7.08 -1.97 -2.67 115.58 121.41 3ca1 h ASN 78 Ca 0.35 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.57 3ca1 h ASN 78 Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.57 3ca1 h ASN 78 CO -0.25 0.11 0.00 0.00 -2.08 0.00 0.00 177.43 175.21 3ca1 n ALA 79 N -2.41 2.21 0.01 4.14 0.00 -0.32 -3.56 120.51 120.58 3ca1 n ALA 79 Ca -0.02 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.44 3ca1 n ALA 79 Cb 0.19 -1.46 0.11 0.00 0.00 0.00 0.00 19.45 18.30 3ca1 n ALA 79 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3ca1 n ILE 80 N -2.13 0.70 -3.90 0.00 -5.35 -1.01 -0.88 119.36 106.79 3ca1 n ILE 80 Ca 0.05 -0.85 -0.37 0.00 -0.27 0.00 0.00 62.75 61.31 3ca1 n ILE 80 Cb 0.39 0.71 -0.06 0.00 -1.74 0.00 0.00 39.64 38.94 3ca1 n ILE 80 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3ca1 s LYS 81 N -0.96 3.42 0.01 6.28 -0.14 -1.23 -4.16 119.74 122.97 3ca1 s LYS 81 Ca 0.19 -0.15 -0.10 0.00 -1.36 0.00 0.00 55.97 54.55 3ca1 s LYS 81 Cb 0.10 -3.17 0.01 0.00 -1.68 0.00 0.00 37.83 33.09 3ca1 s LYS 81 CO 0.14 0.77 0.21 -1.58 -0.76 0.00 0.00 175.35 174.14 3ca1 s TRP 82 N -1.03 -0.03 0.12 3.18 0.52 -0.82 -4.20 118.94 116.69 3ca1 s TRP 82 Ca 0.15 -0.05 0.02 0.00 0.02 0.00 0.00 56.10 56.24 3ca1 s TRP 82 Cb -0.12 0.01 -0.04 0.00 -1.15 0.00 0.00 33.47 32.16 3ca1 s TRP 82 CO 0.04 -0.37 -0.07 -1.21 0.02 0.00 0.00 176.95 175.37 3ca1 s GLU 83 N -1.76 0.92 -0.62 4.98 2.02 -0.22 -4.75 118.70 119.27 3ca1 s GLU 83 Ca -0.11 -1.39 0.04 0.00 0.02 0.00 0.00 54.97 53.53 3ca1 s GLU 83 Cb -0.05 -0.31 0.16 0.00 0.10 0.00 0.00 34.13 34.03 3ca1 s GLU 83 CO 0.01 -0.01 0.41 0.08 0.02 0.00 0.00 175.26 175.77 3ca1 s VAL 84 N -3.56 2.54 0.69 2.63 1.01 -1.26 -1.40 120.40 121.06 3ca1 s VAL 84 Ca 0.15 -3.84 -0.17 0.00 0.00 0.00 0.00 61.98 58.12 3ca1 s VAL 84 Cb 0.05 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 3ca1 s VAL 84 CO -0.02 -0.97 0.75 -2.65 0.00 0.00 0.00 175.10 172.21 3ca1 n PRO 85 N 2.39 0.48 0.29 2.72 -0.02 -1.21 -4.87 135.00 134.77 3ca1 n PRO 85 Ca 0.16 0.21 0.16 0.00 -2.02 0.00 0.00 63.50 62.01 3ca1 n PRO 85 Cb 0.35 -2.01 0.85 0.00 -0.02 0.00 0.00 33.50 32.68 3ca1 n PRO 85 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3ca1 h ILE 86 N -0.15 0.39 -0.00 4.25 3.07 -1.99 -0.82 117.51 122.27 3ca1 h ILE 86 Ca -0.47 -0.33 0.00 0.00 1.55 0.00 0.00 64.86 65.61 3ca1 h ILE 86 Cb 1.35 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 39.13 3ca1 h ILE 86 CO 0.46 0.06 0.00 -0.90 -1.05 0.00 0.00 178.15 176.72 3ca1 n ASP 87 N -3.52 0.09 0.00 2.16 5.68 -1.26 -4.89 116.55 114.81 3ca1 n ASP 87 Ca -0.02 -1.08 0.00 0.00 -0.50 0.00 0.00 54.79 53.19 3ca1 n ASP 87 Cb 0.18 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 3ca1 n ASP 87 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ca1 n GLY 88 N 0.98 0.86 3.75 6.12 0.00 -0.31 -4.85 105.19 111.74 3ca1 n GLY 88 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 3ca1 n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ca1 s SER 89 N -2.16 3.86 -0.20 1.61 0.01 -1.25 -0.31 113.70 115.26 3ca1 s SER 89 Ca 0.00 1.42 -0.01 0.00 1.31 0.00 0.00 55.95 58.67 3ca1 s SER 89 Cb 0.00 -2.12 0.05 0.00 0.21 0.00 0.00 66.02 64.17 3ca1 s SER 89 CO 0.00 -2.39 -0.02 -0.63 0.41 0.00 0.00 173.24 170.61 3ca1 s ILE 90 N -3.02 1.04 -0.00 1.44 1.01 -1.26 -3.32 121.20 117.09 3ca1 s ILE 90 Ca 0.62 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 60.53 3ca1 s ILE 90 Cb -0.17 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 3ca1 s ILE 90 CO 0.56 -0.07 -0.14 -0.51 0.00 0.00 0.00 174.94 174.78 3ca1 s ILE 91 N 1.63 3.08 -0.45 2.92 2.07 -0.49 -0.95 121.20 129.02 3ca1 s ILE 91 Ca -0.02 -0.91 -0.20 0.00 -1.41 0.00 0.00 60.65 58.10 3ca1 s ILE 91 Cb -0.17 -2.27 0.03 0.00 0.13 0.00 0.00 42.46 40.18 3ca1 s ILE 91 CO -0.07 0.45 0.63 0.21 -1.91 0.00 0.00 174.94 174.24 3ca1 s ASN 92 N -1.15 6.29 0.41 4.50 3.84 -0.55 -1.06 114.94 127.22 3ca1 s ASN 92 Ca 0.14 -0.46 0.07 0.00 0.21 0.00 0.00 52.86 52.82 3ca1 s ASN 92 Cb -0.11 -2.31 0.86 0.00 -0.55 0.00 0.00 41.25 39.14 3ca1 s ASN 92 CO 0.04 -0.79 2.05 -0.65 -2.79 0.00 0.00 177.10 174.96 3ca1 h PRO 93 N 8.89 0.55 -0.04 0.43 0.11 -1.87 0.92 132.00 140.99 3ca1 h PRO 93 Ca -0.26 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.83 3ca1 h PRO 93 Cb 1.10 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3ca1 h PRO 93 CO 0.90 0.37 -0.01 1.03 -0.21 0.00 0.00 178.00 180.07 3ca1 h SER 94 N 0.57 -0.04 0.94 -2.05 0.87 -1.89 -3.13 113.55 108.82 3ca1 h SER 94 Ca 0.17 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.63 3ca1 h SER 94 Cb -0.00 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3ca1 h SER 94 CO -0.04 -0.01 -1.13 0.77 -0.53 0.00 0.00 176.83 175.89 3ca1 h SER 95 N 0.00 0.00 0.00 6.23 4.64 -1.89 -3.48 113.55 119.06 3ca1 h SER 95 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3ca1 h SER 95 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3ca1 h SER 95 CO -0.05 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 3ca1 n GLY 96 N 1.31 0.30 3.89 -0.77 0.00 0.31 -5.02 105.19 105.21 3ca1 n GLY 96 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3ca1 n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca1 s LEU 97 N 0.00 3.53 0.11 0.99 1.43 -1.25 -4.58 118.68 118.91 3ca1 s LEU 97 Ca 0.00 1.15 0.09 0.00 -1.03 0.00 0.00 54.13 54.33 3ca1 s LEU 97 Cb 0.00 -4.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 3ca1 s LEU 97 CO 0.00 -0.65 -0.22 0.68 0.23 0.00 0.00 176.35 176.39 3ca1 s VAL 98 N -2.82 1.81 0.13 -1.59 -7.23 -0.32 -1.48 120.40 108.90 3ca1 s VAL 98 Ca 0.51 -1.58 -0.31 0.00 -1.81 0.00 0.00 61.98 58.79 3ca1 s VAL 98 Cb -0.10 -1.64 -0.09 0.00 0.56 0.00 0.00 36.38 35.11 3ca1 s VAL 98 CO 0.45 -0.03 1.55 -0.32 -0.31 0.00 0.00 175.10 176.44 3ca1 s MET 99 N -1.93 4.23 -0.02 4.82 1.75 -0.12 -1.48 119.30 126.55 3ca1 s MET 99 Ca 0.08 2.29 0.02 0.00 -1.25 0.00 0.00 55.69 56.82 3ca1 s MET 99 Cb -0.10 -3.28 0.01 0.00 2.84 0.00 0.00 34.83 34.30 3ca1 s MET 99 CO 0.05 -0.60 -0.06 0.99 -0.65 0.00 0.00 175.02 174.75 3ca1 s THR 100 N 1.49 0.52 -0.52 10.11 2.01 0.50 -4.43 115.64 125.33 3ca1 s THR 100 Ca 0.70 -0.21 -0.15 0.00 0.31 0.00 0.00 61.69 62.33 3ca1 s THR 100 Cb -0.41 -0.48 0.12 0.00 0.01 0.00 0.00 72.50 71.73 3ca1 s THR 100 CO 0.31 0.18 0.46 0.00 -0.69 0.00 0.00 174.62 174.88 3ca1 s ALA 101 N 0.28 3.60 -0.27 7.40 0.00 0.18 -1.38 121.76 131.56 3ca1 s ALA 101 Ca -0.03 -2.47 0.28 0.00 0.00 0.00 0.00 51.96 49.73 3ca1 s ALA 101 Cb -0.07 -3.18 1.03 0.00 0.00 0.00 0.00 23.12 20.89 3ca1 s ALA 101 CO -0.00 -1.96 1.82 -1.35 0.00 0.00 0.00 175.76 174.27 3ca1 h PRO 102 N 8.81 0.00 -5.09 0.00 0.11 -1.86 -3.44 132.00 130.53 3ca1 h PRO 102 Ca -0.29 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.46 3ca1 h PRO 102 Cb 1.10 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.06 3ca1 h PRO 102 CO 0.99 0.00 -0.68 1.03 -0.21 0.00 0.00 178.00 179.13 3ca1 s ARG 103 N -3.42 1.23 0.29 1.05 0.52 -1.26 -5.07 118.95 112.29 3ca1 s ARG 103 Ca 0.04 -1.59 0.24 0.00 -0.52 0.00 0.00 55.73 53.91 3ca1 s ARG 103 Cb 0.09 -0.63 0.43 0.00 0.52 0.00 0.00 34.95 35.36 3ca1 s ARG 103 CO 0.52 -0.02 1.54 0.00 0.02 0.00 0.00 175.30 177.35 3ca1 h ALA 104 N 2.59 0.87 -2.74 2.13 0.00 -1.95 -3.47 119.26 116.69 3ca1 h ALA 104 Ca -0.38 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.02 3ca1 h ALA 104 Cb 1.21 0.00 0.09 0.00 0.00 0.00 0.00 17.79 19.09 3ca1 h ALA 104 CO 0.64 0.00 0.48 0.00 0.00 0.00 0.00 179.25 180.37 3ca1 s ALA 105 N -3.19 2.74 0.53 0.00 0.00 -1.26 -4.88 121.76 115.70 3ca1 s ALA 105 Ca 0.07 0.97 -0.22 0.00 0.00 0.00 0.00 51.96 52.78 3ca1 s ALA 105 Cb 0.09 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 3ca1 s ALA 105 CO 0.67 -0.92 1.26 -1.13 0.00 0.00 0.00 175.76 175.65 3ca1 n SER 106 N -1.12 2.28 0.00 0.00 3.41 -1.26 -2.09 113.62 114.85 3ca1 n SER 106 Ca 0.11 0.97 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 3ca1 n SER 106 Cb 0.49 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.92 3ca1 n SER 106 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ca1 n ARG 107 N -0.78 -0.09 -1.90 4.33 1.74 0.19 -5.01 116.66 115.16 3ca1 n ARG 107 Ca 0.10 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.79 3ca1 n ARG 107 Cb 0.44 -2.91 -0.03 0.00 -1.02 0.00 0.00 32.46 28.94 3ca1 n ARG 107 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ca1 s THR 108 N -2.98 2.45 0.08 0.55 2.01 -0.89 -4.79 115.64 112.08 3ca1 s THR 108 Ca 0.00 0.35 -0.23 0.00 0.31 0.00 0.00 61.69 62.12 3ca1 s THR 108 Cb 0.00 -3.22 -0.07 0.00 0.01 0.00 0.00 72.50 69.22 3ca1 s THR 108 CO 0.00 0.04 0.69 -0.63 -0.69 0.00 0.00 174.62 174.03 3ca1 s ILE 109 N 0.67 4.65 0.02 1.82 1.01 -1.26 -1.13 121.20 126.98 3ca1 s ILE 109 Ca 0.67 1.49 -0.21 0.00 0.00 0.00 0.00 60.65 62.60 3ca1 s ILE 109 Cb -0.45 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 37.92 3ca1 s ILE 109 CO 0.37 0.47 0.63 -0.76 0.00 0.00 0.00 174.94 175.65 3ca1 s LEU 110 N -0.66 4.45 0.18 2.97 1.43 -0.34 -4.47 118.68 122.23 3ca1 s LEU 110 Ca 0.34 1.25 0.08 0.00 -1.03 0.00 0.00 54.13 54.77 3ca1 s LEU 110 Cb -0.21 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 3ca1 s LEU 110 CO 0.22 0.12 -0.17 -0.76 0.23 0.00 0.00 176.35 175.99 3ca1 s LEU 111 N -0.33 2.47 -0.16 1.79 1.43 -0.48 -2.16 118.68 121.24 3ca1 s LEU 111 Ca 0.32 -0.91 -0.22 0.00 -1.03 0.00 0.00 54.13 52.29 3ca1 s LEU 111 Cb -0.19 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 3ca1 s LEU 111 CO 0.19 -0.07 0.68 -0.76 0.23 0.00 0.00 176.35 176.62 3ca1 s LEU 112 N -2.86 4.19 0.14 1.79 1.43 0.52 -0.37 118.68 123.52 3ca1 s LEU 112 Ca 0.18 0.98 -0.00 0.00 -1.03 0.00 0.00 54.13 54.25 3ca1 s LEU 112 Cb -0.04 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 3ca1 s LEU 112 CO 0.07 -0.26 0.04 -1.61 0.23 0.00 0.00 176.35 174.82 3ca1 s GLU 113 N 1.68 0.98 0.20 1.70 2.02 -0.55 0.05 118.70 124.78 3ca1 s GLU 113 Ca 0.32 -1.47 -0.32 0.00 0.02 0.00 0.00 54.97 53.52 3ca1 s GLU 113 Cb -0.16 0.11 -0.14 0.00 0.10 0.00 0.00 34.13 34.03 3ca1 s GLU 113 CO 0.12 -0.23 1.38 -0.25 0.02 0.00 0.00 175.26 176.30 3ca1 n ASP 114 N -0.14 2.40 -4.64 -0.19 8.00 -1.26 -1.17 116.55 119.55 3ca1 n ASP 114 Ca -0.06 1.13 -0.43 0.00 0.71 0.00 0.00 54.79 56.15 3ca1 n ASP 114 Cb 0.64 -1.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.35 3ca1 n ASP 114 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3ca1 s ASN 115 N 0.35 6.57 -0.02 -2.24 2.47 -1.26 -4.83 114.94 115.98 3ca1 s ASN 115 Ca 0.72 1.83 0.04 0.00 0.42 0.00 0.00 52.86 55.88 3ca1 s ASN 115 Cb -0.72 -2.53 0.09 0.00 -1.45 0.00 0.00 41.25 36.63 3ca1 s ASN 115 CO 0.48 -1.07 1.06 2.30 -3.72 0.00 0.00 177.10 176.16 3ca1 n ILE 116 N 5.93 1.13 -3.75 -5.21 -5.35 -1.26 -5.00 119.36 105.85 3ca1 n ILE 116 Ca 0.17 -1.16 -0.28 0.00 -0.27 0.00 0.00 62.75 61.22 3ca1 n ILE 116 Cb 0.44 0.40 0.04 0.00 -1.74 0.00 0.00 39.64 38.79 3ca1 n ILE 116 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3ca1 n TYR 117 N -0.45 -2.47 -2.59 4.28 4.02 -1.26 -4.71 117.16 113.98 3ca1 n TYR 117 Ca 0.04 0.91 -0.32 0.00 -0.01 0.00 0.00 57.90 58.52 3ca1 n TYR 117 Cb 0.33 -4.32 -0.05 0.00 -0.02 0.00 0.00 39.34 35.28 3ca1 n TYR 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3ca1 s ALA 118 N -3.29 3.07 0.54 -0.72 0.00 -1.26 -4.29 121.76 115.80 3ca1 s ALA 118 Ca 0.62 0.26 0.31 0.00 0.00 0.00 0.00 51.96 53.14 3ca1 s ALA 118 Cb -0.30 -3.12 1.77 0.00 0.00 0.00 0.00 23.12 21.48 3ca1 s ALA 118 CO 0.76 -0.08 2.21 0.00 0.00 0.00 0.00 175.76 178.66 3ca1 h ALA 119 N 1.34 1.39 0.00 0.00 0.00 -1.03 -0.19 119.26 120.76 3ca1 h ALA 119 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3ca1 h ALA 119 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ca1 h ALA 119 CO 0.61 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.78 3ca1 n SER 120 N -3.69 0.00 -0.37 0.00 3.41 -0.90 -2.21 113.62 109.86 3ca1 n SER 120 Ca -0.03 0.35 0.03 0.00 -0.26 0.00 0.00 58.87 58.97 3ca1 n SER 120 Cb 0.13 -0.41 0.08 0.00 -0.26 0.00 0.00 64.21 63.75 3ca1 n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ca1 n GLN 121 N -1.41 2.48 -3.55 4.33 6.02 -0.09 -0.65 117.38 124.52 3ca1 n GLN 121 Ca 0.03 -1.70 -0.38 0.00 -0.01 0.00 0.00 57.00 54.95 3ca1 n GLN 121 Cb 0.09 -1.16 -0.06 0.00 1.02 0.00 0.00 30.24 30.13 3ca1 n GLN 121 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3ca1 s GLY 122 N -0.94 2.39 0.04 1.08 0.00 -0.94 -4.23 107.32 104.73 3ca1 s GLY 122 Ca 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 44.72 44.51 3ca1 s GLY 122 CO 0.09 0.15 0.05 -0.98 0.00 0.00 0.00 173.10 172.42 3ca1 s TRP 123 N -0.75 0.30 -0.06 1.90 0.52 0.58 -4.09 118.94 117.35 3ca1 s TRP 123 Ca 0.22 -0.69 -0.00 0.00 0.02 0.00 0.00 56.10 55.65 3ca1 s TRP 123 Cb -0.15 -0.22 0.03 0.00 -1.15 0.00 0.00 33.47 31.98 3ca1 s TRP 123 CO 0.11 -0.37 -0.02 0.99 0.02 0.00 0.00 176.95 177.68 3ca1 s THR 124 N -3.01 0.40 -0.43 2.01 2.01 0.59 -4.61 115.64 112.60 3ca1 s THR 124 Ca -0.01 0.03 -0.22 0.00 0.31 0.00 0.00 61.69 61.80 3ca1 s THR 124 Cb 0.01 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 72.04 3ca1 s THR 124 CO -0.07 0.23 0.70 -0.69 -0.69 0.00 0.00 174.62 174.11 3ca1 s VAL 125 N 1.45 4.76 0.05 3.82 1.01 -1.26 -0.63 120.40 129.59 3ca1 s VAL 125 Ca -0.03 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 61.99 3ca1 s VAL 125 Cb -0.13 -4.23 0.07 0.00 0.00 0.00 0.00 36.38 32.09 3ca1 s VAL 125 CO -0.03 -0.60 0.67 0.28 0.00 0.00 0.00 175.10 175.41 3ca1 s THR 126 N 2.99 0.00 -0.66 3.92 -1.32 -0.72 -4.98 115.64 114.87 3ca1 s THR 126 Ca 0.26 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.98 3ca1 s THR 126 Cb -0.13 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 3ca1 s THR 126 CO 0.20 0.00 1.25 0.59 -2.21 0.00 0.00 174.62 174.44 3ca1 n ASN 127 N 0.21 0.66 -4.52 8.08 3.02 -1.26 -1.16 115.26 120.29 3ca1 n ASN 127 Ca -0.17 0.01 -0.43 0.00 -0.03 0.00 0.00 54.58 53.96 3ca1 n ASN 127 Cb 0.61 0.34 -0.05 0.00 -0.61 0.00 0.00 39.78 40.08 3ca1 n ASN 127 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ca1 s ASN 128 N -4.06 6.35 -0.00 6.41 3.84 -1.26 -4.90 114.94 121.32 3ca1 s ASN 128 Ca 0.06 -0.34 0.11 0.00 0.21 0.00 0.00 52.86 52.90 3ca1 s ASN 128 Cb 0.14 -2.41 0.32 0.00 -0.55 0.00 0.00 41.25 38.76 3ca1 s ASN 128 CO 0.74 -1.10 1.26 1.33 -2.79 0.00 0.00 177.10 176.54 3ca1 n VAL 129 N 6.12 0.51 -4.20 -5.21 0.24 -1.26 -4.83 118.33 109.71 3ca1 n VAL 129 Ca 0.01 -0.49 -0.32 0.00 -2.04 0.00 0.00 64.34 61.50 3ca1 n VAL 129 Cb 0.47 0.23 -0.08 0.00 -1.47 0.00 0.00 33.84 32.99 3ca1 n VAL 129 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3ca1 s LYS 130 N -1.52 2.78 0.54 7.34 1.02 -1.26 -4.93 119.74 123.71 3ca1 s LYS 130 Ca 0.24 -0.66 -0.22 0.00 0.02 0.00 0.00 55.97 55.36 3ca1 s LYS 130 Cb 0.13 -2.67 -0.06 0.00 -0.52 0.00 0.00 37.83 34.71 3ca1 s LYS 130 CO 0.16 0.60 1.28 -2.30 -0.92 0.00 0.00 175.35 174.17 3ca1 n PRO 131 N 1.07 1.57 -3.02 -1.68 -0.02 -1.26 -4.96 135.00 126.70 3ca1 n PRO 131 Ca -0.13 0.58 -0.40 0.00 -2.02 0.00 0.00 63.50 61.53 3ca1 n PRO 131 Cb 0.52 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.48 3ca1 n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ca1 s ILE 132 N -1.31 4.94 -0.23 4.25 1.01 -1.10 -4.81 121.20 123.94 3ca1 s ILE 132 Ca 0.71 1.52 -0.07 0.00 0.00 0.00 0.00 60.65 62.81 3ca1 s ILE 132 Cb -0.43 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 3ca1 s ILE 132 CO 0.50 0.29 0.06 -0.69 0.00 0.00 0.00 174.94 175.10 3ca1 s VAL 133 N 0.48 4.29 0.04 2.92 1.01 -1.26 -0.42 120.40 127.47 3ca1 s VAL 133 Ca 0.38 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 3ca1 s VAL 133 Cb -0.19 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.22 3ca1 s VAL 133 CO 0.20 0.36 0.32 0.00 0.00 0.00 0.00 175.10 175.99 3ca1 s ALA 134 N 1.40 -0.75 0.61 5.51 0.00 -0.40 -1.89 121.76 126.25 3ca1 s ALA 134 Ca 0.05 0.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.96 3ca1 s ALA 134 Cb -0.15 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 3ca1 s ALA 134 CO 0.03 -0.41 1.05 -1.12 0.00 0.00 0.00 175.76 175.31 3ca1 s SER 135 N -1.98 5.81 -0.29 0.00 0.01 -0.10 -1.10 113.70 116.06 3ca1 s SER 135 Ca -0.06 1.70 0.03 0.00 1.31 0.00 0.00 55.95 58.93 3ca1 s SER 135 Cb -0.01 -2.52 0.07 0.00 0.21 0.00 0.00 66.02 63.78 3ca1 s SER 135 CO -0.02 -1.15 -0.05 -0.63 0.41 0.00 0.00 173.24 171.80 3ca1 s ILE 136 N -2.69 2.13 -0.18 1.44 1.01 -1.26 -1.59 121.20 120.06 3ca1 s ILE 136 Ca 0.61 -1.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.31 3ca1 s ILE 136 Cb -0.14 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 3ca1 s ILE 136 CO 0.42 -0.24 0.16 -0.69 0.00 0.00 0.00 174.94 174.60 3ca1 s VAL 137 N 1.06 5.40 0.00 2.92 1.01 0.17 -0.61 120.40 130.36 3ca1 s VAL 137 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3ca1 s VAL 137 Cb -0.20 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3ca1 s VAL 137 CO -0.06 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3ca1 n GLY 138 N 3.23 5.56 3.59 4.51 0.00 0.45 -0.51 105.19 122.01 3ca1 n GLY 138 Ca -0.16 -1.07 -0.48 0.00 0.00 0.00 0.00 46.02 44.31 3ca1 n GLY 138 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ca1 n TYR 139 N 0.00 1.37 -1.83 1.61 9.36 -1.25 -0.74 117.16 125.67 3ca1 n TYR 139 Ca 0.00 0.66 -0.19 0.00 3.32 0.00 0.00 57.90 61.69 3ca1 n TYR 139 Cb 0.00 -2.29 -0.06 0.00 -0.63 0.00 0.00 39.34 36.36 3ca1 n TYR 139 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3ca1 n LYS 140 N 1.72 -1.54 -2.22 2.98 5.02 -1.26 -1.77 118.16 121.09 3ca1 n LYS 140 Ca 0.14 1.08 -0.18 0.00 -2.02 0.00 0.00 58.31 57.33 3ca1 n LYS 140 Cb 0.26 -5.54 -0.02 0.00 -0.02 0.00 0.00 35.03 29.71 3ca1 n LYS 140 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ca1 n GLU 141 N -2.51 -1.76 -2.27 1.97 -0.58 0.08 -5.00 120.64 110.57 3ca1 n GLU 141 Ca -0.21 0.93 -0.26 0.00 -0.42 0.00 0.00 57.16 57.20 3ca1 n GLU 141 Cb 0.65 -5.51 0.06 0.00 -0.57 0.00 0.00 31.44 26.07 3ca1 n GLU 141 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 3ca1 s MET 142 N -4.72 2.40 -0.08 3.49 -1.94 -0.73 -4.57 119.30 113.14 3ca1 s MET 142 Ca 0.00 -0.22 0.01 0.00 -1.71 0.00 0.00 55.69 53.77 3ca1 s MET 142 Cb 0.00 -2.21 -0.03 0.00 2.01 0.00 0.00 34.83 34.60 3ca1 s MET 142 CO 0.00 -1.07 -0.10 0.00 -0.01 0.00 0.00 175.02 173.84 3ca1 s LEU 144 N -0.44 4.43 -0.01 0.00 2.96 0.22 -1.22 118.68 124.62 3ca1 s LEU 144 Ca 0.06 2.51 0.01 0.00 -0.22 0.00 0.00 54.13 56.49 3ca1 s LEU 144 Cb -0.12 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.95 3ca1 s LEU 144 CO 0.02 -0.51 -0.04 -1.58 -1.32 0.00 0.00 176.35 172.93 3ca1 s GLN 145 N -0.81 0.36 0.54 1.98 0.74 0.36 -4.47 119.66 118.37 3ca1 s GLN 145 Ca 0.53 -0.12 -0.06 0.00 0.05 0.00 0.00 55.36 55.76 3ca1 s GLN 145 Cb -0.38 -0.38 -0.02 0.00 1.10 0.00 0.00 33.01 33.33 3ca1 s GLN 145 CO 0.44 0.05 0.86 -1.54 -0.55 0.00 0.00 175.29 174.55 3ca1 s SER 146 N 0.10 6.03 -0.03 6.67 1.04 -0.15 -1.66 113.70 125.70 3ca1 s SER 146 Ca -0.01 0.93 0.18 0.00 0.48 0.00 0.00 55.95 57.54 3ca1 s SER 146 Cb -0.04 -2.10 0.32 0.00 0.10 0.00 0.00 66.02 64.30 3ca1 s SER 146 CO -0.00 -0.79 1.13 0.59 0.98 0.00 0.00 173.24 175.15 3ca1 n ASN 147 N -2.45 0.43 0.00 7.02 3.02 -1.26 -4.83 115.26 117.20 3ca1 n ASN 147 Ca 0.03 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 3ca1 n ASN 147 Cb 0.56 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 3ca1 n ASN 147 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ca1 n GLY 148 N 0.23 2.42 3.78 7.41 0.00 -1.26 -4.72 105.19 113.05 3ca1 n GLY 148 Ca -0.04 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 3ca1 n GLY 148 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ca1 s GLU 149 N -3.03 4.11 0.00 1.61 2.12 -1.26 -2.06 118.70 120.18 3ca1 s GLU 149 Ca 0.00 2.52 0.00 0.00 0.36 0.00 0.00 54.97 57.85 3ca1 s GLU 149 Cb 0.00 -2.96 0.00 0.00 0.26 0.00 0.00 34.13 31.43 3ca1 s GLU 149 CO 0.00 -0.51 0.00 0.09 -0.54 0.00 0.00 175.26 174.30 3ca1 n ASN 150 N 0.45 0.00 -4.97 -1.70 4.13 0.19 -4.98 115.26 108.37 3ca1 n ASN 150 Ca 0.01 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.06 3ca1 n ASN 150 Cb 0.40 -0.68 -0.00 0.00 -1.54 0.00 0.00 39.78 37.96 3ca1 n ASN 150 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3ca1 s ASN 151 N -3.03 6.03 0.68 6.41 3.84 -0.88 -4.77 114.94 123.22 3ca1 s ASN 151 Ca 0.00 0.05 -0.15 0.00 0.21 0.00 0.00 52.86 52.98 3ca1 s ASN 151 Cb 0.00 -1.51 0.01 0.00 -0.55 0.00 0.00 41.25 39.20 3ca1 s ASN 151 CO 0.00 -0.42 1.12 -0.83 -2.79 0.00 0.00 177.10 174.18 3ca1 s GLY 152 N -4.14 2.13 0.39 1.21 0.00 -1.26 -1.53 107.32 104.11 3ca1 s GLY 152 Ca 0.43 0.56 -0.07 0.00 0.00 0.00 0.00 44.72 45.65 3ca1 s GLY 152 CO 0.33 0.92 0.70 -1.34 0.00 0.00 0.00 173.10 173.71 3ca1 s VAL 153 N -2.35 4.90 0.28 1.40 -7.23 -0.93 -3.99 120.40 112.48 3ca1 s VAL 153 Ca 0.67 0.29 -0.21 0.00 -1.81 0.00 0.00 61.98 60.93 3ca1 s VAL 153 Cb -0.21 -3.77 0.03 0.00 0.56 0.00 0.00 36.38 32.99 3ca1 s VAL 153 CO 0.43 -0.54 0.77 -1.66 -0.31 0.00 0.00 175.10 173.80 3ca1 s TRP 154 N -2.37 -0.12 -0.02 2.82 -2.14 -0.66 -3.79 118.94 112.66 3ca1 s TRP 154 Ca 0.47 -0.37 -0.20 0.00 2.66 0.00 0.00 56.10 58.67 3ca1 s TRP 154 Cb -0.10 0.73 -0.05 0.00 -3.10 0.00 0.00 33.47 30.94 3ca1 s TRP 154 CO 0.34 -1.24 0.58 -1.64 -2.66 0.00 0.00 176.95 172.33 3ca1 s MET 155 N -3.48 4.30 0.03 3.25 -1.94 -1.26 -0.48 119.30 119.72 3ca1 s MET 155 Ca 0.12 0.70 0.00 0.00 -1.71 0.00 0.00 55.69 54.80 3ca1 s MET 155 Cb -0.05 -3.35 -0.02 0.00 2.01 0.00 0.00 34.83 33.42 3ca1 s MET 155 CO 0.07 0.36 -0.04 -1.21 -0.01 0.00 0.00 175.02 174.19 3ca1 s GLU 156 N -0.14 0.42 0.15 2.03 0.41 -0.36 -4.95 118.70 116.27 3ca1 s GLU 156 Ca 0.30 -0.77 -0.33 0.00 -0.41 0.00 0.00 54.97 53.76 3ca1 s GLU 156 Cb -0.18 0.05 -0.16 0.00 -1.78 0.00 0.00 34.13 32.06 3ca1 s GLU 156 CO 0.16 -0.04 1.16 -0.25 -0.49 0.00 0.00 175.26 175.80 3ca1 n ASP 157 N 1.26 1.24 -4.75 -0.19 8.00 -1.26 -1.04 116.55 119.81 3ca1 n ASP 157 Ca -0.22 1.14 -0.41 0.00 0.71 0.00 0.00 54.79 56.01 3ca1 n ASP 157 Cb 0.56 -1.19 -0.02 0.00 -0.02 0.00 0.00 41.12 40.45 3ca1 n ASP 157 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ca1 s GLU 159 N -0.66 0.08 0.54 0.00 0.41 -1.26 -5.03 118.70 112.78 3ca1 s GLU 159 Ca 0.56 0.50 0.25 0.00 -0.41 0.00 0.00 54.97 55.87 3ca1 s GLU 159 Cb -0.40 -0.21 1.41 0.00 -1.78 0.00 0.00 34.13 33.14 3ca1 s GLU 159 CO 0.45 -0.24 2.01 0.00 -0.49 0.00 0.00 175.26 176.99 3ca1 h ALA 160 N 7.84 2.41 -0.02 5.21 0.00 -2.02 -1.55 119.26 131.13 3ca1 h ALA 160 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ca1 h ALA 160 Cb 1.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3ca1 h ALA 160 CO 0.27 -0.58 -0.04 0.25 0.00 0.00 0.00 179.25 179.14 3ca1 n THR 161 N -4.33 0.00 -2.79 0.00 -2.24 -1.26 -4.82 114.28 98.84 3ca1 n THR 161 Ca 0.08 -0.25 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 3ca1 n THR 161 Cb 0.55 0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 69.31 3ca1 n THR 161 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ca1 s SER 162 N -2.07 6.41 0.37 3.42 0.15 -0.59 -4.89 113.70 116.51 3ca1 s SER 162 Ca 0.35 -0.12 0.12 0.00 0.70 0.00 0.00 55.95 57.00 3ca1 s SER 162 Cb 0.21 -2.46 0.73 0.00 -1.71 0.00 0.00 66.02 62.79 3ca1 s SER 162 CO 0.36 -1.21 1.84 -0.07 1.20 0.00 0.00 173.24 175.36 3ca1 h LEU 163 N 10.99 0.05 0.00 3.45 3.38 -1.88 -2.31 115.31 129.00 3ca1 h LEU 163 Ca -0.25 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3ca1 h LEU 163 Cb 1.07 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3ca1 h LEU 163 CO 1.08 0.38 0.00 0.00 0.09 0.00 0.00 178.44 179.99 3ca1 n GLN 164 N -4.14 0.56 -0.14 1.13 6.02 -1.26 -1.55 117.38 117.99 3ca1 n GLN 164 Ca -0.02 0.03 0.11 0.00 -0.01 0.00 0.00 57.00 57.11 3ca1 n GLN 164 Cb 0.38 -1.50 0.28 0.00 1.02 0.00 0.00 30.24 30.42 3ca1 n GLN 164 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3ca1 n GLN 165 N -1.15 2.14 -3.73 -1.09 6.02 -0.87 -0.98 117.38 117.73 3ca1 n GLN 165 Ca 0.15 -1.73 -0.37 0.00 -0.01 0.00 0.00 57.00 55.05 3ca1 n GLN 165 Cb 0.14 -1.45 -0.11 0.00 1.02 0.00 0.00 30.24 29.83 3ca1 n GLN 165 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ca1 s GLN 166 N -1.62 3.83 -0.07 -1.09 -0.21 -0.60 -4.24 119.66 115.66 3ca1 s GLN 166 Ca 0.35 -0.39 0.04 0.00 0.02 0.00 0.00 55.36 55.39 3ca1 s GLN 166 Cb 0.20 -3.44 -0.01 0.00 1.00 0.00 0.00 33.01 30.76 3ca1 s GLN 166 CO 0.29 -0.10 -0.21 -1.58 -2.12 0.00 0.00 175.29 171.57 3ca1 s TRP 167 N 1.43 2.55 -0.33 0.91 0.52 -0.26 -1.79 118.94 121.98 3ca1 s TRP 167 Ca 0.06 -0.64 -0.16 0.00 0.02 0.00 0.00 56.10 55.37 3ca1 s TRP 167 Cb -0.15 -1.65 -0.01 0.00 -1.15 0.00 0.00 33.47 30.50 3ca1 s TRP 167 CO 0.06 -0.16 0.44 0.00 0.02 0.00 0.00 176.95 177.30 3ca1 s ALA 168 N -0.13 3.51 -0.67 0.98 0.00 0.15 -1.27 121.76 124.33 3ca1 s ALA 168 Ca -0.03 -1.02 -0.19 0.00 0.00 0.00 0.00 51.96 50.71 3ca1 s ALA 168 Cb -0.14 -2.89 0.11 0.00 0.00 0.00 0.00 23.12 20.20 3ca1 s ALA 168 CO 0.04 -1.04 0.82 -0.51 0.00 0.00 0.00 175.76 175.07 3ca1 s LEU 169 N 2.20 5.24 0.57 0.00 1.43 0.44 -0.98 118.68 127.58 3ca1 s LEU 169 Ca 0.16 -1.52 -0.13 0.00 -1.03 0.00 0.00 54.13 51.61 3ca1 s LEU 169 Cb -0.16 -2.33 -0.06 0.00 0.03 0.00 0.00 46.19 43.67 3ca1 s LEU 169 CO 0.12 -1.14 0.99 -0.31 0.23 0.00 0.00 176.35 176.24 3ca1 s TYR 170 N 2.79 3.55 0.38 0.29 1.51 -0.82 -2.70 117.35 122.36 3ca1 s TYR 170 Ca 0.17 1.32 0.29 0.00 -1.01 0.00 0.00 57.07 57.84 3ca1 s TYR 170 Cb -0.19 -2.72 1.46 0.00 -0.11 0.00 0.00 41.96 40.40 3ca1 s TYR 170 CO 0.04 -0.53 2.06 0.78 -1.11 0.00 0.00 175.55 176.79 3ca1 h GLY 171 N 0.23 0.00 0.12 0.71 0.00 -1.84 -1.44 103.07 100.86 3ca1 h GLY 171 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3ca1 h GLY 171 CO 0.62 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.25 3ca1 n ASP 172 N -3.54 0.00 -0.53 0.19 5.68 -1.22 -2.05 116.55 115.08 3ca1 n ASP 172 Ca -0.02 -1.77 -0.07 0.00 -0.50 0.00 0.00 54.79 52.44 3ca1 n ASP 172 Cb 0.25 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.20 3ca1 n ASP 172 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ca1 n ARG 173 N -0.56 -0.46 -3.29 0.11 5.12 -0.54 -4.19 116.66 112.85 3ca1 n ARG 173 Ca 0.03 0.68 -0.30 0.00 -1.93 0.00 0.00 57.85 56.33 3ca1 n ARG 173 Cb 0.01 -4.47 -0.04 0.00 -1.16 0.00 0.00 32.46 26.80 3ca1 n ARG 173 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3ca1 s THR 174 N -2.25 4.96 -0.29 0.55 -4.23 -1.25 -1.26 115.64 111.87 3ca1 s THR 174 Ca 0.00 0.26 -0.01 0.00 -1.18 0.00 0.00 61.69 60.76 3ca1 s THR 174 Cb 0.00 -3.70 0.05 0.00 1.34 0.00 0.00 72.50 70.19 3ca1 s THR 174 CO 0.00 -0.27 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.15 3ca1 s ILE 175 N -2.04 2.80 0.14 2.99 1.01 -1.26 -1.94 121.20 122.91 3ca1 s ILE 175 Ca 0.46 -1.41 0.07 0.00 0.00 0.00 0.00 60.65 59.78 3ca1 s ILE 175 Cb -0.11 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 3ca1 s ILE 175 CO 0.27 -0.06 -0.06 -0.13 0.00 0.00 0.00 174.94 174.96 3ca1 s ARG 176 N 1.23 2.22 -0.11 2.79 0.52 -0.15 -0.87 118.95 124.57 3ca1 s ARG 176 Ca -0.06 -1.10 -0.29 0.00 -0.52 0.00 0.00 55.73 53.76 3ca1 s ARG 176 Cb -0.20 -2.30 -0.05 0.00 0.52 0.00 0.00 34.95 32.92 3ca1 s ARG 176 CO -0.02 0.47 1.82 0.08 0.02 0.00 0.00 175.30 177.68 3ca1 s VAL 177 N -1.51 3.37 0.28 3.52 1.01 -0.88 -0.67 120.40 125.52 3ca1 s VAL 177 Ca 0.24 0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 3ca1 s VAL 177 Cb -0.10 -3.34 0.26 0.00 0.00 0.00 0.00 36.38 33.20 3ca1 s VAL 177 CO 0.16 -0.11 1.96 -1.13 0.00 0.00 0.00 175.10 175.97 3ca1 h ASN 178 N 11.17 1.02 0.78 3.32 -1.24 -1.64 -1.54 115.58 127.44 3ca1 h ASN 178 Ca -0.41 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.58 3ca1 h ASN 178 Cb 1.20 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.99 3ca1 h ASN 178 CO 0.97 0.74 0.00 -1.20 -1.29 0.00 0.00 177.43 176.64 3ca1 n SER 179 N -4.40 0.00 -2.99 1.15 7.64 -1.26 -4.39 113.62 109.37 3ca1 n SER 179 Ca 0.10 0.49 -0.13 0.00 1.01 0.00 0.00 58.87 60.34 3ca1 n SER 179 Cb 0.02 -0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 62.70 3ca1 n SER 179 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3ca1 n THR 180 N -1.50 -0.43 1.83 0.44 -1.04 -0.59 -5.04 114.28 107.95 3ca1 n THR 180 Ca 0.06 -2.04 0.12 0.00 -2.04 0.00 0.00 64.05 60.14 3ca1 n THR 180 Cb 0.27 0.02 0.70 0.00 -1.82 0.00 0.00 70.33 69.50 3ca1 n THR 180 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3ca1 n ARG 181 N 2.63 0.92 0.00 -2.82 1.74 -1.14 -1.73 116.66 116.25 3ca1 n ARG 181 Ca 0.21 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.43 3ca1 n ARG 181 Cb 0.54 -1.40 0.78 0.00 -1.02 0.00 0.00 32.46 31.36 3ca1 n ARG 181 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ca1 n GLY 182 N 0.75 -1.20 3.50 -0.13 0.00 -1.26 -4.89 105.19 101.96 3ca1 n GLY 182 Ca 0.18 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3ca1 n GLY 182 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca1 s LEU 183 N -2.45 2.84 0.04 0.99 1.43 -0.71 -0.81 118.68 120.01 3ca1 s LEU 183 Ca 0.32 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.32 3ca1 s LEU 183 Cb 0.20 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 3ca1 s LEU 183 CO 0.43 0.34 -0.19 0.00 0.23 0.00 0.00 176.35 177.16 3ca1 s VAL 185 N -0.76 2.97 -0.03 0.00 1.01 -0.05 -1.63 120.40 121.91 3ca1 s VAL 185 Ca 0.06 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.63 3ca1 s VAL 185 Cb -0.08 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.95 3ca1 s VAL 185 CO 0.01 0.03 0.02 -0.89 0.00 0.00 0.00 175.10 174.27 3ca1 s THR 186 N 1.77 0.03 0.19 3.92 2.01 0.31 -4.44 115.64 119.42 3ca1 s THR 186 Ca 0.70 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.59 3ca1 s THR 186 Cb -0.40 -0.16 -0.08 0.00 0.01 0.00 0.00 72.50 71.87 3ca1 s THR 186 CO 0.31 0.12 0.95 0.28 -0.69 0.00 0.00 174.62 175.58 3ca1 s THR 187 N 1.13 4.25 -1.20 -0.82 -1.32 -0.20 -0.85 115.64 116.63 3ca1 s THR 187 Ca -0.08 2.08 -0.04 0.00 -1.21 0.00 0.00 61.69 62.43 3ca1 s THR 187 Cb -0.13 -4.32 0.21 0.00 -1.51 0.00 0.00 72.50 66.74 3ca1 s THR 187 CO -0.03 0.43 2.08 -3.20 -2.21 0.00 0.00 174.62 171.69 3ca1 n ASN 188 N 2.03 7.40 0.00 8.08 5.15 0.45 -4.83 115.26 133.54 3ca1 n ASN 188 Ca -0.00 -3.34 0.00 0.00 -0.60 0.00 0.00 54.58 50.63 3ca1 n ASN 188 Cb 0.48 -1.30 0.00 0.00 -0.53 0.00 0.00 39.78 38.43 3ca1 n ASN 188 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ca1 n GLY 189 N 1.20 2.65 0.70 8.20 0.00 -1.26 -4.41 105.19 112.27 3ca1 n GLY 189 Ca 0.52 -2.08 0.06 0.00 0.00 0.00 0.00 46.02 44.53 3ca1 n GLY 189 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ca1 n TYR 190 N -1.18 0.59 -3.91 1.61 4.02 -1.26 -4.90 117.16 112.13 3ca1 n TYR 190 Ca 0.00 -0.61 -0.25 0.00 -0.01 0.00 0.00 57.90 57.03 3ca1 n TYR 190 Cb 0.00 -0.11 -0.03 0.00 -0.02 0.00 0.00 39.34 39.18 3ca1 n TYR 190 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3ca1 s ASN 191 N -1.26 6.34 0.21 7.72 0.01 -1.26 -4.77 114.94 121.93 3ca1 s ASN 191 Ca 0.28 0.18 -0.31 0.00 -0.71 0.00 0.00 52.86 52.30 3ca1 s ASN 191 Cb 0.18 -1.91 -0.15 0.00 0.41 0.00 0.00 41.25 39.78 3ca1 s ASN 191 CO 0.13 0.01 1.17 -1.20 -1.51 0.00 0.00 177.10 175.70 3ca1 n SER 192 N -0.78 1.59 0.00 -1.22 7.64 -1.26 -1.35 113.62 118.24 3ca1 n SER 192 Ca -0.07 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.96 3ca1 n SER 192 Cb 0.55 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 3ca1 n SER 192 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ca1 n LYS 193 N 1.54 -0.05 -1.90 1.43 5.02 0.14 -5.01 118.16 119.33 3ca1 n LYS 193 Ca 0.13 0.01 -0.38 0.00 -2.02 0.00 0.00 58.31 56.05 3ca1 n LYS 193 Cb 0.28 -2.93 0.03 0.00 -0.02 0.00 0.00 35.03 32.39 3ca1 n LYS 193 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ca1 s ASP 194 N -2.70 5.48 0.34 4.39 1.01 -0.46 -4.77 116.67 119.96 3ca1 s ASP 194 Ca 0.00 2.66 -0.21 0.00 0.71 0.00 0.00 52.55 55.71 3ca1 s ASP 194 Cb 0.00 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.21 3ca1 s ASP 194 CO 0.00 -1.42 0.86 -0.22 0.21 0.00 0.00 175.17 174.60 3ca1 s LEU 195 N -3.40 4.16 -0.20 1.23 2.96 -1.26 -1.57 118.68 120.59 3ca1 s LEU 195 Ca 0.70 1.59 -0.08 0.00 -0.22 0.00 0.00 54.13 56.11 3ca1 s LEU 195 Cb -0.38 -4.10 -0.04 0.00 0.50 0.00 0.00 46.19 42.17 3ca1 s LEU 195 CO 0.45 -0.17 0.09 -0.63 -1.32 0.00 0.00 176.35 174.77 3ca1 s ILE 196 N -1.85 4.93 0.41 6.68 1.01 0.03 -0.41 121.20 132.00 3ca1 s ILE 196 Ca 0.53 0.02 0.05 0.00 0.00 0.00 0.00 60.65 61.25 3ca1 s ILE 196 Cb -0.13 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 3ca1 s ILE 196 CO 0.18 0.42 0.17 2.30 0.00 0.00 0.00 174.94 178.02 3ca1 n ILE 197 N 3.86 0.00 -4.34 2.92 -5.35 -0.03 -2.20 119.36 114.22 3ca1 n ILE 197 Ca -0.16 -2.47 -0.34 0.00 -0.27 0.00 0.00 62.75 59.51 3ca1 n ILE 197 Cb 0.52 0.94 -0.12 0.00 -1.74 0.00 0.00 39.64 39.24 3ca1 n ILE 197 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3ca1 s ILE 198 N -3.18 3.81 0.05 7.28 -1.09 -0.58 -0.53 121.20 126.95 3ca1 s ILE 198 Ca 0.25 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 3ca1 s ILE 198 Cb 0.01 -2.68 -0.03 0.00 -1.58 0.00 0.00 42.46 38.18 3ca1 s ILE 198 CO 0.17 0.48 -0.04 -0.22 -1.23 0.00 0.00 174.94 174.10 3ca1 s LEU 199 N 0.55 2.37 0.11 2.97 2.96 -0.65 0.53 118.68 127.53 3ca1 s LEU 199 Ca -0.03 -0.76 -0.36 0.00 -0.22 0.00 0.00 54.13 52.76 3ca1 s LEU 199 Cb -0.14 0.06 -0.16 0.00 0.50 0.00 0.00 46.19 46.44 3ca1 s LEU 199 CO 0.03 -0.41 1.33 1.17 -1.32 0.00 0.00 176.35 177.15 3ca1 n LYS 200 N 0.80 1.26 -1.73 1.98 4.81 -1.26 -0.67 118.16 123.35 3ca1 n LYS 200 Ca -0.18 0.45 -0.42 0.00 -0.87 0.00 0.00 58.31 57.29 3ca1 n LYS 200 Cb 0.58 -2.08 -0.03 0.00 0.02 0.00 0.00 35.03 33.52 3ca1 n LYS 200 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ca1 n GLN 202 N 5.87 0.32 -1.04 0.00 6.02 -1.26 -5.01 117.38 122.28 3ca1 n GLN 202 Ca 0.18 -1.10 -0.01 0.00 -0.01 0.00 0.00 57.00 56.06 3ca1 n GLN 202 Cb 0.39 -0.65 -0.01 0.00 1.02 0.00 0.00 30.24 30.99 3ca1 n GLN 202 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ca1 n GLY 203 N -0.20 0.46 3.88 1.08 0.00 -1.26 -4.96 105.19 104.18 3ca1 n GLY 203 Ca 0.02 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 3ca1 n GLY 203 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca1 s LEU 204 N -0.29 3.35 0.55 0.99 1.43 -1.26 -1.99 118.68 121.46 3ca1 s LEU 204 Ca 0.00 1.32 0.22 0.00 -1.03 0.00 0.00 54.13 54.64 3ca1 s LEU 204 Cb 0.00 -4.33 1.46 0.00 0.03 0.00 0.00 46.19 43.35 3ca1 s LEU 204 CO 0.00 -0.78 2.14 -0.65 0.23 0.00 0.00 176.35 177.30 3ca1 h PRO 205 N -0.09 0.00 0.00 1.29 0.11 -1.84 -1.23 132.00 130.24 3ca1 h PRO 205 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ca1 h PRO 205 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ca1 h PRO 205 CO 0.62 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.28 3ca1 n SER 206 N -4.27 0.00 -0.38 -2.05 3.41 -1.26 -2.90 113.62 106.17 3ca1 n SER 206 Ca -0.01 0.38 0.04 0.00 -0.26 0.00 0.00 58.87 59.02 3ca1 n SER 206 Cb 0.19 -0.44 0.07 0.00 -0.26 0.00 0.00 64.21 63.77 3ca1 n SER 206 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ca1 n GLN 207 N -1.44 1.64 -3.70 4.33 6.02 -0.50 -1.03 117.38 122.70 3ca1 n GLN 207 Ca 0.05 -1.46 -0.36 0.00 -0.01 0.00 0.00 57.00 55.21 3ca1 n GLN 207 Cb 0.16 -1.17 -0.07 0.00 1.02 0.00 0.00 30.24 30.18 3ca1 n GLN 207 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3ca1 s ARG 208 N -0.84 4.02 0.05 -1.09 3.52 -1.14 -4.26 118.95 119.22 3ca1 s ARG 208 Ca 0.13 -0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.66 3ca1 s ARG 208 Cb 0.07 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 30.08 3ca1 s ARG 208 CO 0.10 0.41 -0.06 -1.58 -0.81 0.00 0.00 175.30 173.37 3ca1 s TRP 209 N -0.01 0.62 -0.04 5.12 0.52 -0.39 -4.14 118.94 120.63 3ca1 s TRP 209 Ca 0.13 -0.70 -0.01 0.00 0.02 0.00 0.00 56.10 55.54 3ca1 s TRP 209 Cb -0.12 -0.39 0.03 0.00 -1.15 0.00 0.00 33.47 31.84 3ca1 s TRP 209 CO 0.02 -0.17 0.03 0.12 0.02 0.00 0.00 176.95 176.97 3ca1 s PHE 210 N -2.38 0.24 -0.51 -1.98 5.36 0.13 -4.76 117.98 114.08 3ca1 s PHE 210 Ca -0.03 0.09 -0.22 0.00 -0.96 0.00 0.00 56.93 55.81 3ca1 s PHE 210 Cb -0.03 -0.48 0.04 0.00 -0.34 0.00 0.00 43.02 42.21 3ca1 s PHE 210 CO -0.03 -0.18 0.79 -0.06 -1.46 0.00 0.00 175.22 174.28 3ca1 s PHE 211 N 1.66 2.93 0.69 10.12 0.40 -1.26 -0.48 117.98 132.04 3ca1 s PHE 211 Ca -0.01 -0.16 -0.02 0.00 -0.60 0.00 0.00 56.93 56.15 3ca1 s PHE 211 Cb -0.13 -3.77 0.10 0.00 0.51 0.00 0.00 43.02 39.74 3ca1 s PHE 211 CO -0.03 -1.15 0.96 0.54 0.70 0.00 0.00 175.22 176.25 3ca1 s ASN 212 N 2.60 4.53 0.29 1.36 2.20 -0.74 -5.00 114.94 120.18 3ca1 s ASN 212 Ca 0.25 -0.19 -0.02 0.00 -0.94 0.00 0.00 52.86 51.96 3ca1 s ASN 212 Cb -0.15 -0.30 0.44 0.00 -2.00 0.00 0.00 41.25 39.24 3ca1 s ASN 212 CO 0.17 -1.73 1.93 0.28 -2.94 0.00 0.00 177.10 174.82 3ca1 h SER 213 N -0.46 0.98 0.00 3.54 0.02 -1.96 -3.01 113.55 112.66 3ca1 h SER 213 Ca -0.39 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3ca1 h SER 213 Cb 1.28 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.59 3ca1 h SER 213 CO 0.44 0.67 0.00 0.47 -1.14 0.00 0.00 176.83 177.28 3ca1 n ASP 214 N -4.44 0.00 -0.00 3.07 8.00 -1.26 -4.80 116.55 117.11 3ca1 n ASP 214 Ca 0.12 -1.60 -0.00 0.00 0.71 0.00 0.00 54.79 54.02 3ca1 n ASP 214 Cb 0.10 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.20 3ca1 n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ca1 n GLY 215 N 0.33 0.45 3.88 0.44 0.00 -1.14 -4.91 105.19 104.24 3ca1 n GLY 215 Ca 0.01 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3ca1 n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ca1 s ALA 216 N -1.90 3.51 -0.37 4.61 0.00 -1.26 -0.82 121.76 125.53 3ca1 s ALA 216 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 3ca1 s ALA 216 Cb 0.00 -2.49 0.06 0.00 0.00 0.00 0.00 23.12 20.69 3ca1 s ALA 216 CO 0.00 0.29 0.15 0.42 0.00 0.00 0.00 175.76 176.62 3ca1 s ILE 217 N -2.04 3.68 -0.12 0.00 1.01 -1.26 -1.78 121.20 120.69 3ca1 s ILE 217 Ca 0.48 -1.41 -0.06 0.00 0.00 0.00 0.00 60.65 59.66 3ca1 s ILE 217 Cb -0.11 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 3ca1 s ILE 217 CO 0.26 -0.34 0.11 -0.69 0.00 0.00 0.00 174.94 174.27 3ca1 s VAL 218 N 1.34 5.22 -0.45 2.92 1.01 0.37 -1.01 120.40 129.80 3ca1 s VAL 218 Ca 0.01 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 3ca1 s VAL 218 Cb -0.21 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 32.94 3ca1 s VAL 218 CO 0.01 0.60 0.42 0.21 0.00 0.00 0.00 175.10 176.34 3ca1 s ASN 219 N -0.85 6.17 0.29 3.32 3.84 0.39 -0.70 114.94 127.40 3ca1 s ASN 219 Ca 0.14 -0.94 -0.02 0.00 0.21 0.00 0.00 52.86 52.25 3ca1 s ASN 219 Cb -0.12 -2.21 0.42 0.00 -0.55 0.00 0.00 41.25 38.79 3ca1 s ASN 219 CO 0.03 -0.62 1.94 -0.65 -2.79 0.00 0.00 177.10 175.01 3ca1 h PRO 220 N 8.75 1.13 0.09 0.43 0.11 -1.86 -0.77 132.00 139.88 3ca1 h PRO 220 Ca -0.27 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 3ca1 h PRO 220 Cb 1.11 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3ca1 h PRO 220 CO 0.83 0.75 -0.04 -0.22 -0.21 0.00 0.00 178.00 179.10 3ca1 h LYS 221 N 1.16 -0.12 0.00 1.05 1.63 -1.83 -2.97 116.57 115.50 3ca1 h LYS 221 Ca 0.35 0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 60.05 3ca1 h LYS 221 Cb -0.03 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 3ca1 h LYS 221 CO -0.10 -0.06 -0.50 0.66 -3.45 0.00 0.00 179.45 176.01 3ca1 h SER 222 N -0.15 0.00 0.00 4.20 4.64 -1.82 -3.47 113.55 116.95 3ca1 h SER 222 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3ca1 h SER 222 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3ca1 h SER 222 CO 0.02 0.50 0.00 0.54 -0.87 0.00 0.00 176.83 177.02 3ca1 n ARG 223 N -3.36 0.00 -2.78 4.77 1.74 -0.31 -5.03 116.66 111.69 3ca1 n ARG 223 Ca 0.01 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.85 3ca1 n ARG 223 Cb 0.66 -1.54 0.02 0.00 -1.02 0.00 0.00 32.46 30.58 3ca1 n ARG 223 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ca1 s LEU 224 N 0.00 3.49 0.20 0.55 1.43 -1.22 -4.74 118.68 118.39 3ca1 s LEU 224 Ca 0.00 0.37 0.08 0.00 -1.03 0.00 0.00 54.13 53.55 3ca1 s LEU 224 Cb 0.00 -3.23 -0.05 0.00 0.03 0.00 0.00 46.19 42.94 3ca1 s LEU 224 CO 0.00 -0.85 -0.16 0.68 0.23 0.00 0.00 176.35 176.25 3ca1 s VAL 225 N -2.70 1.80 0.30 -1.59 -7.23 -0.14 -0.46 120.40 110.38 3ca1 s VAL 225 Ca 0.51 -2.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 3ca1 s VAL 225 Cb -0.10 -1.99 -0.11 0.00 0.56 0.00 0.00 36.38 34.74 3ca1 s VAL 225 CO 0.40 -0.50 1.51 -0.04 -0.31 0.00 0.00 175.10 176.16 3ca1 s MET 226 N -3.37 4.18 -0.14 4.82 -1.94 -0.18 -1.37 119.30 121.29 3ca1 s MET 226 Ca 0.21 2.47 -0.07 0.00 -1.71 0.00 0.00 55.69 56.59 3ca1 s MET 226 Cb -0.03 -3.04 0.06 0.00 2.01 0.00 0.00 34.83 33.83 3ca1 s MET 226 CO 0.07 -0.52 0.33 0.34 -0.01 0.00 0.00 175.02 175.23 3ca1 s ASP 227 N 0.26 -0.32 -0.53 3.03 -1.08 -0.13 -4.48 116.67 113.42 3ca1 s ASP 227 Ca 0.59 0.72 -0.29 0.00 -0.52 0.00 0.00 52.55 53.05 3ca1 s ASP 227 Cb -0.45 0.65 0.03 0.00 -1.46 0.00 0.00 42.92 41.68 3ca1 s ASP 227 CO 0.50 -0.19 1.20 -0.69 0.52 0.00 0.00 175.17 176.51 3ca1 s VAL 228 N 1.51 4.07 0.11 1.11 1.01 -0.24 -1.08 120.40 126.89 3ca1 s VAL 228 Ca -0.08 1.03 -0.35 0.00 0.00 0.00 0.00 61.98 62.58 3ca1 s VAL 228 Cb -0.10 -4.63 -0.14 0.00 0.00 0.00 0.00 36.38 31.51 3ca1 s VAL 228 CO -0.11 -1.16 1.56 -1.14 0.00 0.00 0.00 175.10 174.26 3ca1 n ARG 229 N 8.18 1.91 -1.87 2.72 0.63 -0.75 -1.20 116.66 126.28 3ca1 n ARG 229 Ca 0.11 0.69 -0.16 0.00 -0.92 0.00 0.00 57.85 57.57 3ca1 n ARG 229 Cb 0.49 -2.44 -0.04 0.00 0.45 0.00 0.00 32.46 30.92 3ca1 n ARG 229 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ca1 n ALA 230 N 3.59 -0.44 -3.57 5.13 0.00 -1.26 -1.57 120.51 122.39 3ca1 n ALA 230 Ca 0.18 0.20 -0.26 0.00 0.00 0.00 0.00 53.44 53.57 3ca1 n ALA 230 Cb 0.26 -1.71 -0.01 0.00 0.00 0.00 0.00 19.45 17.99 3ca1 n ALA 230 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ca1 n SER 231 N -1.28 -3.39 -3.84 0.00 7.64 -0.34 -4.92 113.62 107.48 3ca1 n SER 231 Ca -0.17 -0.52 -0.30 0.00 1.01 0.00 0.00 58.87 58.88 3ca1 n SER 231 Cb 0.58 -2.81 -0.14 0.00 -1.01 0.00 0.00 64.21 60.82 3ca1 n SER 231 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3ca1 s ASN 232 N -2.83 4.14 0.48 6.43 3.84 -0.61 -4.97 114.94 121.42 3ca1 s ASN 232 Ca 0.48 -2.37 0.22 0.00 0.21 0.00 0.00 52.86 51.41 3ca1 s ASN 232 Cb -0.26 -1.26 1.24 0.00 -0.55 0.00 0.00 41.25 40.43 3ca1 s ASN 232 CO 0.59 -0.32 2.02 -0.37 -2.79 0.00 0.00 177.10 176.23 3ca1 h VAL 233 N 5.91 0.79 0.00 -5.21 -1.51 -1.91 -2.56 116.25 111.75 3ca1 h VAL 233 Ca -0.06 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 3ca1 h VAL 233 Cb 0.96 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 3ca1 h VAL 233 CO 0.53 0.16 0.00 0.28 -1.23 0.00 0.00 177.57 177.31 3ca1 h SER 234 N 0.00 0.00 0.84 4.19 0.02 -1.94 -2.45 113.55 114.20 3ca1 h SER 234 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3ca1 h SER 234 Cb 0.37 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 3ca1 h SER 234 CO 0.02 0.00 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.52 3ca1 h LEU 235 N 0.00 0.00 -1.65 5.07 3.38 -1.80 -3.47 115.31 116.84 3ca1 h LEU 235 Ca 0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 3ca1 h LEU 235 Cb 0.32 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.12 3ca1 h LEU 235 CO 0.00 0.12 -0.81 0.54 0.09 0.00 0.00 178.44 178.38 3ca1 n ARG 236 N -3.32 -5.13 -3.78 1.13 1.74 -0.92 -4.99 116.66 101.38 3ca1 n ARG 236 Ca -0.00 0.63 -0.18 0.00 -0.77 0.00 0.00 57.85 57.53 3ca1 n ARG 236 Cb 0.34 -5.26 -0.17 0.00 -1.02 0.00 0.00 32.46 26.35 3ca1 n ARG 236 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3ca1 s GLU 237 N -6.05 0.09 -0.11 5.56 2.02 -1.26 -4.77 118.70 114.18 3ca1 s GLU 237 Ca 0.10 0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.30 3ca1 s GLU 237 Cb -0.05 -0.44 -0.02 0.00 0.10 0.00 0.00 34.13 33.72 3ca1 s GLU 237 CO 0.81 -0.22 -0.11 0.42 0.02 0.00 0.00 175.26 176.18 3ca1 s ILE 238 N 1.44 3.28 0.33 -1.63 -1.09 -1.25 -1.81 121.20 120.48 3ca1 s ILE 238 Ca -0.04 -0.60 0.05 0.00 -2.23 0.00 0.00 60.65 57.83 3ca1 s ILE 238 Cb -0.13 -2.37 -0.07 0.00 -1.58 0.00 0.00 42.46 38.32 3ca1 s ILE 238 CO -0.03 0.54 0.01 0.27 -1.23 0.00 0.00 174.94 174.51 3ca1 s ILE 239 N -0.02 1.53 0.12 2.92 -4.36 -0.24 -0.79 121.20 120.35 3ca1 s ILE 239 Ca -0.02 -2.04 -0.15 0.00 -0.26 0.00 0.00 60.65 58.18 3ca1 s ILE 239 Cb -0.14 -2.74 -0.07 0.00 1.25 0.00 0.00 42.46 40.76 3ca1 s ILE 239 CO 0.04 -0.09 0.53 0.27 0.24 0.00 0.00 174.94 175.92 3ca1 s ILE 240 N -3.06 4.88 0.05 8.37 -4.36 -0.61 -0.96 121.20 125.51 3ca1 s ILE 240 Ca 0.34 0.84 -0.22 0.00 -0.26 0.00 0.00 60.65 61.35 3ca1 s ILE 240 Cb 0.08 -3.75 0.05 0.00 1.25 0.00 0.00 42.46 40.09 3ca1 s ILE 240 CO 0.15 0.31 0.51 0.12 0.24 0.00 0.00 174.94 176.28 3ca1 s PHE 241 N -1.38 -0.41 0.43 1.37 5.36 -0.47 -0.68 117.98 122.19 3ca1 s PHE 241 Ca 0.35 0.45 -0.25 0.00 -0.96 0.00 0.00 56.93 56.52 3ca1 s PHE 241 Cb -0.16 0.33 -0.10 0.00 -0.34 0.00 0.00 43.02 42.76 3ca1 s PHE 241 CO 0.19 -0.64 1.18 -2.30 -1.46 0.00 0.00 175.22 172.18 3ca1 n PRO 242 N 0.40 1.70 -1.94 10.12 -0.02 -1.26 -0.96 135.00 143.03 3ca1 n PRO 242 Ca -0.18 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 3ca1 n PRO 242 Cb 0.60 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 3ca1 n PRO 242 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ca1 s ALA 243 N -1.23 3.69 -0.04 3.55 0.00 -1.26 -4.84 121.76 121.64 3ca1 s ALA 243 Ca 0.62 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.81 3ca1 s ALA 243 Cb -0.52 -3.68 -0.01 0.00 0.00 0.00 0.00 23.12 18.91 3ca1 s ALA 243 CO 0.57 -1.03 0.04 0.25 0.00 0.00 0.00 175.76 175.59 3ca1 n THR 244 N 4.58 0.00 -0.87 0.00 -2.24 -1.26 -5.01 114.28 109.48 3ca1 n THR 244 Ca 0.15 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3ca1 n THR 244 Cb 0.40 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 3ca1 n THR 244 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ca1 n GLY 245 N 1.26 0.62 3.80 3.38 0.00 -1.26 -5.02 105.19 107.97 3ca1 n GLY 245 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3ca1 n GLY 245 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ca1 s ASN 246 N -2.55 5.43 0.46 1.61 0.01 -1.26 -4.92 114.94 113.72 3ca1 s ASN 246 Ca 0.00 1.75 0.23 0.00 -0.71 0.00 0.00 52.86 54.12 3ca1 s ASN 246 Cb 0.00 -2.52 1.23 0.00 0.41 0.00 0.00 41.25 40.37 3ca1 s ASN 246 CO 0.00 -1.41 1.86 -0.65 -1.51 0.00 0.00 177.10 175.39 3ca1 h PRO 247 N -0.24 0.25 0.00 -0.60 0.11 -1.96 -1.25 132.00 128.30 3ca1 h PRO 247 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ca1 h PRO 247 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ca1 h PRO 247 CO 0.56 0.17 0.00 0.27 -0.21 0.00 0.00 178.00 178.79 3ca1 n ASN 248 N -4.44 0.00 0.00 -2.05 6.94 -1.26 -2.50 115.26 111.95 3ca1 n ASN 248 Ca 0.20 -1.11 0.00 0.00 -0.02 0.00 0.00 54.58 53.65 3ca1 n ASN 248 Cb 0.81 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.23 3ca1 n ASN 248 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ca1 n GLN 249 N -0.77 2.39 -3.76 -3.83 6.02 -0.47 -1.07 117.38 115.88 3ca1 n GLN 249 Ca 0.10 -1.30 -0.36 0.00 -0.01 0.00 0.00 57.00 55.43 3ca1 n GLN 249 Cb 0.05 -0.91 -0.07 0.00 1.02 0.00 0.00 30.24 30.33 3ca1 n GLN 249 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ca1 s GLN 250 N -0.80 3.91 0.02 -1.09 -1.52 -1.04 -4.21 119.66 114.93 3ca1 s GLN 250 Ca 0.00 -0.14 -0.04 0.00 -1.95 0.00 0.00 55.36 53.23 3ca1 s GLN 250 Cb 0.00 -3.33 -0.01 0.00 -0.22 0.00 0.00 33.01 29.45 3ca1 s GLN 250 CO 0.00 0.49 0.05 -1.58 -0.25 0.00 0.00 175.29 174.00 3ca1 s TRP 251 N -0.19 0.18 -0.01 0.91 0.52 0.00 -3.80 118.94 116.55 3ca1 s TRP 251 Ca 0.12 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.85 3ca1 s TRP 251 Cb -0.12 -0.14 0.00 0.00 -1.15 0.00 0.00 33.47 32.07 3ca1 s TRP 251 CO 0.01 -0.26 -0.03 0.08 0.02 0.00 0.00 176.95 176.77 3ca1 s VAL 252 N -1.72 0.26 0.06 4.03 1.01 0.33 -4.67 120.40 119.71 3ca1 s VAL 252 Ca -0.13 -0.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 3ca1 s VAL 252 Cb -0.07 -0.25 -0.07 0.00 0.00 0.00 0.00 36.38 36.00 3ca1 s VAL 252 CO -0.01 0.09 0.57 0.42 0.00 0.00 0.00 175.10 176.17 3ca1 s THR 253 N 0.11 4.76 -0.27 3.92 -4.23 -1.26 -0.65 115.64 118.02 3ca1 s THR 253 Ca -0.01 1.22 0.01 0.00 -1.18 0.00 0.00 61.69 61.73 3ca1 s THR 253 Cb -0.04 -3.90 0.08 0.00 1.34 0.00 0.00 72.50 69.98 3ca1 s THR 253 CO -0.00 0.54 0.00 -1.10 -0.54 0.00 0.00 174.62 173.52 3ca1 s GLN 254 N -1.00 1.31 0.30 3.99 -1.52 -0.62 -4.97 119.66 117.15 3ca1 s GLN 254 Ca 0.29 -1.11 -0.29 0.00 -1.95 0.00 0.00 55.36 52.31 3ca1 s GLN 254 Cb -0.19 -2.52 -0.13 0.00 -0.22 0.00 0.00 33.01 29.95 3ca1 s GLN 254 CO 0.19 -0.75 1.27 0.28 -0.25 0.00 0.00 175.29 176.04 3ca1 n VAL 255 N 4.67 1.68 -3.62 1.09 0.31 -1.26 -0.92 118.33 120.27 3ca1 n VAL 255 Ca -0.07 -0.42 -0.32 0.00 -0.01 0.00 0.00 64.34 63.52 3ca1 n VAL 255 Cb 0.43 -1.43 -0.05 0.00 -0.91 0.00 0.00 33.84 31.88 3ca1 n VAL 255 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ca1 s LEU 256 N -0.42 4.27 0.00 7.52 1.43 -0.79 -4.84 118.68 125.85 3ca1 s LEU 256 Ca 0.60 0.67 0.19 0.00 -1.03 0.00 0.00 54.13 54.56 3ca1 s LEU 256 Cb -0.62 -3.29 1.14 0.00 0.03 0.00 0.00 46.19 43.46 3ca1 s LEU 256 CO 0.58 0.06 1.53 -0.81 0.23 0.00 0.00 176.35 177.95