#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x99 s TYR 5 N 0.00 1.78 0.07 1.43 1.51 -1.26 -4.85 117.35 116.03 1x99 s TYR 5 Ca 0.00 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.74 1x99 s TYR 5 Cb 0.00 -1.06 -0.03 0.00 -0.11 0.00 0.00 41.96 40.76 1x99 s TYR 5 CO 0.00 0.09 -0.14 -1.54 -1.11 0.00 0.00 175.55 172.84 1x99 s SER 6 N -1.17 1.71 -0.12 2.29 1.04 0.25 -4.41 113.70 113.29 1x99 s SER 6 Ca 0.07 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1x99 s SER 6 Cb -0.09 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.00 1x99 s SER 6 CO 0.02 -0.06 -0.10 -0.63 0.98 0.00 0.00 173.24 173.45 1x99 s ILE 7 N -1.22 1.17 -0.19 -1.02 1.01 0.07 -0.68 121.20 120.33 1x99 s ILE 7 Ca -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 1x99 s ILE 7 Cb -0.10 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 1x99 s ILE 7 CO 0.02 0.39 -0.02 -0.89 0.00 0.00 0.00 174.94 174.44 1x99 s THR 8 N 1.54 3.82 -0.10 2.92 2.01 -0.24 -0.84 115.64 124.74 1x99 s THR 8 Ca 0.03 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1x99 s THR 8 Cb -0.13 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 1x99 s THR 8 CO -0.07 0.44 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.43 1x99 s LEU 9 N 0.97 2.90 -0.05 4.42 1.43 0.11 -0.91 118.68 127.54 1x99 s LEU 9 Ca 0.01 -0.20 0.05 0.00 -1.03 0.00 0.00 54.13 52.96 1x99 s LEU 9 Cb -0.14 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1x99 s LEU 9 CO 0.01 0.25 -0.21 -0.13 0.23 0.00 0.00 176.35 176.50 1x99 s ARG 10 N -0.14 2.51 -0.20 1.70 0.52 -0.83 -0.76 118.95 121.75 1x99 s ARG 10 Ca 0.00 -0.83 -0.08 0.00 -0.52 0.00 0.00 55.73 54.30 1x99 s ARG 10 Cb -0.13 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.06 1x99 s ARG 10 CO 0.03 0.48 0.09 0.08 0.02 0.00 0.00 175.30 176.00 1x99 s VAL 11 N -0.39 4.92 -0.21 3.52 1.01 -1.26 -0.86 120.40 127.14 1x99 s VAL 11 Ca 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 1x99 s VAL 11 Cb -0.12 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 1x99 s VAL 11 CO 0.02 0.43 -0.09 -0.31 0.00 0.00 0.00 175.10 175.14 1x99 s TYR 12 N 0.59 2.90 -0.18 5.22 1.51 0.57 -4.97 117.35 123.00 1x99 s TYR 12 Ca 0.05 -1.14 -0.04 0.00 -1.01 0.00 0.00 57.07 54.93 1x99 s TYR 12 Cb -0.13 -2.05 -0.02 0.00 -0.11 0.00 0.00 41.96 39.66 1x99 s TYR 12 CO 0.01 -0.62 -0.04 -0.65 -1.11 0.00 0.00 175.55 173.14 1x99 s GLN 13 N 1.40 3.52 -0.00 -0.62 -0.21 -1.26 -0.71 119.66 121.79 1x99 s GLN 13 Ca 0.05 -0.58 0.01 0.00 0.02 0.00 0.00 55.36 54.86 1x99 s GLN 13 Cb -0.14 -2.95 -0.01 0.00 1.00 0.00 0.00 33.01 30.91 1x99 s GLN 13 CO -0.06 0.04 0.02 0.25 -2.12 0.00 0.00 175.29 173.42 1x99 n THR 14 N 4.12 0.00 -3.80 -0.19 -2.24 -0.76 -4.99 114.28 106.42 1x99 n THR 14 Ca -0.18 -0.14 -0.37 0.00 -2.27 0.00 0.00 64.05 61.09 1x99 n THR 14 Cb 0.52 0.63 -0.13 0.00 -2.10 0.00 0.00 70.33 69.25 1x99 n THR 14 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1x99 s ASN 15 N -1.80 5.03 0.00 3.42 3.84 -1.26 -4.97 114.94 119.20 1x99 s ASN 15 Ca -0.00 -0.91 0.19 0.00 0.21 0.00 0.00 52.86 52.35 1x99 s ASN 15 Cb 0.00 -1.83 0.92 0.00 -0.55 0.00 0.00 41.25 39.80 1x99 s ASN 15 CO 0.03 -0.23 1.62 0.54 -2.79 0.00 0.00 177.10 176.27 1x99 n ARG 16 N 4.80 1.35 -0.00 0.43 3.00 -1.26 -3.76 116.66 121.20 1x99 n ARG 16 Ca -0.14 -0.52 0.05 0.00 -0.01 0.00 0.00 57.85 57.23 1x99 n ARG 16 Cb 0.46 -1.33 -0.07 0.00 0.00 0.00 0.00 32.46 31.52 1x99 n ARG 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1x99 n ASP 17 N -0.26 2.60 -0.99 0.55 8.00 -1.26 -4.70 116.55 120.49 1x99 n ASP 17 Ca 0.15 -0.07 0.12 0.00 0.71 0.00 0.00 54.79 55.70 1x99 n ASP 17 Cb 0.19 1.39 0.12 0.00 -0.02 0.00 0.00 41.12 42.79 1x99 n ASP 17 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x99 n ARG 18 N -1.77 2.35 0.00 -1.24 3.00 -1.25 -5.05 116.66 112.71 1x99 n ARG 18 Ca -0.01 -1.98 0.00 0.00 -0.01 0.00 0.00 57.85 55.85 1x99 n ARG 18 Cb 0.24 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.23 1x99 n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x99 n GLY 19 N 1.37 2.86 3.74 -0.13 0.00 -1.26 -4.79 105.19 106.98 1x99 n GLY 19 Ca 0.15 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 1x99 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x99 s TYR 20 N -2.09 3.42 0.06 1.61 5.04 -1.26 -4.80 117.35 119.33 1x99 s TYR 20 Ca 0.00 0.35 -0.05 0.00 -2.44 0.00 0.00 57.07 54.93 1x99 s TYR 20 Cb 0.00 -2.16 -0.05 0.00 0.35 0.00 0.00 41.96 40.10 1x99 s TYR 20 CO 0.00 0.31 0.30 -0.06 -1.34 0.00 0.00 175.55 174.75 1x99 s PHE 21 N 0.31 3.54 0.04 4.97 0.40 -1.26 -1.11 117.98 124.87 1x99 s PHE 21 Ca 0.09 0.53 -0.01 0.00 -0.60 0.00 0.00 56.93 56.94 1x99 s PHE 21 Cb -0.11 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 1x99 s PHE 21 CO -0.02 0.55 -0.02 -1.54 0.70 0.00 0.00 175.22 174.90 1x99 s SER 22 N -2.04 0.37 0.09 1.36 1.04 -1.26 -4.97 113.70 108.28 1x99 s SER 22 Ca 0.33 -0.76 -0.30 0.00 0.48 0.00 0.00 55.95 55.69 1x99 s SER 22 Cb -0.13 0.16 -0.06 0.00 0.10 0.00 0.00 66.02 66.09 1x99 s SER 22 CO 0.21 -0.47 1.18 -0.63 0.98 0.00 0.00 173.24 174.50 1x99 s ILE 23 N -2.84 3.99 -0.27 -1.02 1.01 -1.26 -4.32 121.20 116.50 1x99 s ILE 23 Ca -0.03 1.48 0.03 0.00 0.00 0.00 0.00 60.65 62.14 1x99 s ILE 23 Cb 0.00 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 1x99 s ILE 23 CO -0.06 0.15 0.32 1.33 0.00 0.00 0.00 174.94 176.68 1x99 n VAL 24 N 3.59 0.00 -3.58 2.92 0.24 0.55 -4.98 118.33 117.07 1x99 n VAL 24 Ca 0.08 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.34 61.80 1x99 n VAL 24 Cb 0.46 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 1x99 n VAL 24 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1x99 s GLU 25 N -0.93 0.72 -0.07 7.34 2.12 -1.20 -4.98 118.70 121.71 1x99 s GLU 25 Ca 0.02 0.33 -0.03 0.00 0.36 0.00 0.00 54.97 55.65 1x99 s GLU 25 Cb 0.03 0.34 0.04 0.00 0.26 0.00 0.00 34.13 34.80 1x99 s GLU 25 CO 0.10 -0.19 0.11 0.15 -0.54 0.00 0.00 175.26 174.88 1x99 s LYS 26 N -0.77 -0.01 0.26 4.30 1.02 -1.26 -1.56 119.74 121.72 1x99 s LYS 26 Ca -0.03 0.41 0.12 0.00 0.02 0.00 0.00 55.97 56.49 1x99 s LYS 26 Cb -0.02 -0.55 -0.05 0.00 -0.52 0.00 0.00 37.83 36.70 1x99 s LYS 26 CO 0.02 -0.36 -0.21 0.95 -0.92 0.00 0.00 175.35 174.83 1x99 s THR 27 N 2.22 2.45 -0.04 2.17 -4.23 -1.26 -5.03 115.64 111.92 1x99 s THR 27 Ca 0.04 -2.33 0.01 0.00 -1.18 0.00 0.00 61.69 58.23 1x99 s THR 27 Cb -0.12 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.47 1x99 s THR 27 CO -0.05 -0.34 -0.06 -0.69 -0.54 0.00 0.00 174.62 172.94 1x99 s VAL 28 N -2.33 0.65 0.53 2.29 1.01 -1.26 -4.35 120.40 116.93 1x99 s VAL 28 Ca 0.28 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 1x99 s VAL 28 Cb -0.06 -0.64 -0.07 0.00 0.00 0.00 0.00 36.38 35.62 1x99 s VAL 28 CO 0.14 0.24 1.01 0.86 0.00 0.00 0.00 175.10 177.35 1x99 s TRP 29 N 0.72 3.25 -2.32 5.22 -0.11 -0.23 -4.96 118.94 120.50 1x99 s TRP 29 Ca -0.11 1.50 0.26 0.00 1.22 0.00 0.00 56.10 58.98 1x99 s TRP 29 Cb -0.13 -2.89 0.66 0.00 -1.50 0.00 0.00 33.47 29.61 1x99 s TRP 29 CO 0.01 -0.63 1.51 -2.39 -4.62 0.00 0.00 176.95 170.83 1x99 n HIS 30 N -1.59 0.00 -1.24 5.86 1.44 -1.26 -4.36 115.22 114.07 1x99 n HIS 30 Ca 0.08 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.49 1x99 n HIS 30 Cb 0.53 -0.03 0.14 0.00 0.12 0.00 0.00 29.99 30.75 1x99 n HIS 30 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1x99 s PHE 31 N -2.21 2.31 -1.47 -1.40 2.99 -1.26 -3.78 117.98 113.17 1x99 s PHE 31 Ca 0.30 1.16 -0.07 0.00 0.00 0.00 0.00 56.93 58.31 1x99 s PHE 31 Cb 0.20 -3.19 0.03 0.00 0.00 0.00 0.00 43.02 40.06 1x99 s PHE 31 CO 0.41 -2.47 0.69 0.00 -0.00 0.00 0.00 175.22 173.86 1x99 n ALA 32 N -3.91 -1.07 -1.63 5.36 0.00 -1.26 -1.11 120.51 116.88 1x99 n ALA 32 Ca 0.06 0.24 -0.14 0.00 0.00 0.00 0.00 53.44 53.61 1x99 n ALA 32 Cb 0.56 -3.90 -0.05 0.00 0.00 0.00 0.00 19.45 16.06 1x99 n ALA 32 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1x99 n ASN 33 N -2.56 -4.61 0.00 0.00 4.05 -1.26 -2.96 115.26 107.92 1x99 n ASN 33 Ca -0.06 0.26 0.00 0.00 0.45 0.00 0.00 54.58 55.23 1x99 n ASN 33 Cb 0.58 -3.47 0.00 0.00 1.23 0.00 0.00 39.78 38.13 1x99 n ASN 33 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1x99 n GLY 34 N -1.18 0.36 0.00 8.20 0.00 -0.26 -4.52 105.19 107.79 1x99 n GLY 34 Ca -0.15 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1x99 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x99 n GLY 35 N 0.00 -2.07 3.20 -0.02 0.00 -1.26 -1.49 105.19 103.55 1x99 n GLY 35 Ca 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 1x99 n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x99 s THR 36 N -2.09 0.05 0.10 2.61 -4.23 0.13 -4.92 115.64 107.29 1x99 s THR 36 Ca 0.00 -0.44 -0.09 0.00 -1.18 0.00 0.00 61.69 59.98 1x99 s THR 36 Cb 0.00 -0.54 -0.06 0.00 1.34 0.00 0.00 72.50 73.24 1x99 s THR 36 CO 0.00 -0.24 0.41 0.26 -0.54 0.00 0.00 174.62 174.51 1x99 s TRP 37 N -1.09 3.56 0.15 3.99 0.52 -1.26 -0.93 118.94 123.87 1x99 s TRP 37 Ca -0.12 0.76 -0.03 0.00 0.02 0.00 0.00 56.10 56.74 1x99 s TRP 37 Cb -0.05 -2.14 -0.03 0.00 -1.15 0.00 0.00 33.47 30.09 1x99 s TRP 37 CO 0.03 0.49 0.12 -1.54 0.02 0.00 0.00 176.95 176.07 1x99 s SER 38 N -1.90 0.23 -0.04 2.95 1.04 -0.07 -4.99 113.70 110.91 1x99 s SER 38 Ca 0.35 -1.15 0.03 0.00 0.48 0.00 0.00 55.95 55.66 1x99 s SER 38 Cb -0.13 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1x99 s SER 38 CO 0.19 -0.78 -0.13 -1.61 0.98 0.00 0.00 173.24 171.89 1x99 s GLU 39 N -4.04 1.48 -0.25 4.02 8.01 -1.26 -1.13 118.70 125.54 1x99 s GLU 39 Ca 0.24 -0.44 -0.21 0.00 0.01 0.00 0.00 54.97 54.57 1x99 s GLU 39 Cb 0.06 -1.29 0.07 0.00 -4.31 0.00 0.00 34.13 28.66 1x99 s GLU 39 CO 0.03 0.13 0.64 0.00 0.01 0.00 0.00 175.26 176.07 1x99 s ALA 40 N 0.30 -1.62 -1.38 5.21 0.00 -0.58 -4.95 121.76 118.74 1x99 s ALA 40 Ca -0.07 1.90 -0.02 0.00 0.00 0.00 0.00 51.96 53.77 1x99 s ALA 40 Cb -0.12 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.90 1x99 s ALA 40 CO 0.02 -0.32 0.20 0.27 0.00 0.00 0.00 175.76 175.94 1x99 n ASN 41 N 3.04 -4.84 -0.05 0.00 6.94 -1.26 -0.73 115.26 118.36 1x99 n ASN 41 Ca -0.15 -0.05 -0.01 0.00 -0.02 0.00 0.00 54.58 54.35 1x99 n ASN 41 Cb 0.56 -4.02 -0.00 0.00 -2.36 0.00 0.00 39.78 33.95 1x99 n ASN 41 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x99 n GLY 42 N -1.06 0.45 3.56 4.83 0.00 -1.26 -5.04 105.19 106.66 1x99 n GLY 42 Ca -0.14 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1x99 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x99 s ALA 43 N -1.86 2.98 -0.16 4.61 0.00 0.09 -4.68 121.76 122.75 1x99 s ALA 43 Ca 0.00 -1.88 0.01 0.00 0.00 0.00 0.00 51.96 50.09 1x99 s ALA 43 Cb 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.75 1x99 s ALA 43 CO 0.00 0.20 -0.17 -1.01 0.00 0.00 0.00 175.76 174.77 1x99 s HIS 44 N -2.48 2.76 -0.15 0.00 0.09 0.06 -1.52 115.29 114.05 1x99 s HIS 44 Ca 0.32 -1.27 0.00 0.00 -0.00 0.00 0.00 55.06 54.11 1x99 s HIS 44 Cb -0.03 -1.89 -0.01 0.00 -0.00 0.00 0.00 32.58 30.65 1x99 s HIS 44 CO 0.17 -0.60 -0.15 0.99 -0.00 0.00 0.00 174.74 175.16 1x99 s THR 45 N 0.98 2.77 -0.29 1.30 2.01 -0.28 0.10 115.64 122.22 1x99 s THR 45 Ca -0.03 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.11 1x99 s THR 45 Cb -0.15 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1x99 s THR 45 CO -0.04 0.51 0.23 -0.22 -0.69 0.00 0.00 174.62 174.42 1x99 s LEU 46 N 0.72 4.12 0.38 4.42 2.96 -0.02 -0.89 118.68 130.37 1x99 s LEU 46 Ca -0.07 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.88 1x99 s LEU 46 Cb -0.15 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 1x99 s LEU 46 CO 0.01 -0.11 0.36 -0.89 -1.32 0.00 0.00 176.35 174.40 1x99 s THR 47 N 1.81 3.06 -0.12 3.68 2.01 -0.11 -0.76 115.64 125.22 1x99 s THR 47 Ca 0.08 -1.32 0.07 0.00 0.31 0.00 0.00 61.69 60.83 1x99 s THR 47 Cb -0.16 -3.08 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 1x99 s THR 47 CO 0.11 -0.07 0.20 0.61 -0.69 0.00 0.00 174.62 174.77 1x99 n GLY 49 N -1.50 -0.07 0.00 4.40 0.00 -0.55 -0.69 105.19 106.78 1x99 n GLY 49 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1x99 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x99 n GLY 50 N 1.78 -1.19 3.77 -0.02 0.00 -1.15 -4.17 105.19 104.20 1x99 n GLY 50 Ca -0.00 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 1x99 n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x99 s SER 51 N -2.51 6.55 0.00 1.61 0.15 -1.26 -4.35 113.70 113.88 1x99 s SER 51 Ca 0.00 2.26 0.00 0.00 0.70 0.00 0.00 55.95 58.91 1x99 s SER 51 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1x99 s SER 51 CO 0.00 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.40 1x99 n GLY 52 N 0.55 1.41 0.00 9.45 0.00 0.26 -4.71 105.19 112.16 1x99 n GLY 52 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1x99 n GLY 52 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x99 n THR 53 N -0.73 0.00 -3.80 2.61 5.66 -1.17 -4.56 114.28 112.29 1x99 n THR 53 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1x99 n THR 53 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1x99 n THR 53 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1x99 s SER 54 N -0.94 -0.10 0.00 1.09 1.04 -1.26 -1.92 113.70 111.61 1x99 s SER 54 Ca 0.00 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1x99 s SER 54 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1x99 s SER 54 CO 0.00 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1x99 n GLY 55 N -0.56 4.02 2.93 7.32 0.00 -0.34 -1.07 105.19 117.50 1x99 n GLY 55 Ca -0.05 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 1x99 n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x99 s LEU 57 N 0.00 0.65 -0.14 0.99 1.43 -0.32 -1.69 118.68 119.61 1x99 s LEU 57 Ca 0.00 0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 53.37 1x99 s LEU 57 Cb 0.00 0.39 -0.04 0.00 0.03 0.00 0.00 46.19 46.57 1x99 s LEU 57 CO 0.00 -0.15 0.06 -0.60 0.23 0.00 0.00 176.35 175.89 1x99 s ARG 58 N 1.23 3.54 0.00 1.70 3.52 -0.60 -0.67 118.95 127.67 1x99 s ARG 58 Ca -0.09 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 1x99 s ARG 58 Cb -0.12 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1x99 s ARG 58 CO -0.06 0.53 0.00 1.19 -0.81 0.00 0.00 175.30 176.15 1x99 n PHE 59 N 2.72 -0.37 -4.21 5.12 3.01 0.41 -0.33 117.46 123.81 1x99 n PHE 59 Ca -0.18 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.16 1x99 n PHE 59 Cb 0.53 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.90 1x99 n PHE 59 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1x99 s SER 61 N -0.65 0.71 0.36 4.37 1.04 -0.05 -1.52 113.70 117.96 1x99 s SER 61 Ca 0.00 -1.25 0.25 0.00 0.48 0.00 0.00 55.95 55.42 1x99 s SER 61 Cb 0.00 0.23 1.30 0.00 0.10 0.00 0.00 66.02 67.65 1x99 s SER 61 CO 0.00 -0.70 1.75 0.71 0.98 0.00 0.00 173.24 175.99 1x99 h THR 62 N 2.70 0.00 -0.61 2.02 1.35 -1.43 -0.76 112.91 116.18 1x99 h THR 62 Ca -0.36 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1x99 h THR 62 Cb 1.22 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1x99 h THR 62 CO 0.60 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.16 1x99 n LYS 63 N -2.37 2.65 -0.69 4.72 5.02 -1.26 -4.97 118.16 121.27 1x99 n LYS 63 Ca -0.01 -2.53 0.00 0.00 -2.02 0.00 0.00 58.31 53.74 1x99 n LYS 63 Cb 0.07 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1x99 n LYS 63 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x99 n GLY 64 N 1.61 0.66 3.72 0.72 0.00 -0.29 -5.04 105.19 106.57 1x99 n GLY 64 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1x99 n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x99 s GLU 65 N -0.31 4.57 -0.12 1.61 2.12 -1.26 -4.77 118.70 120.53 1x99 s GLU 65 Ca 0.00 1.54 0.02 0.00 0.36 0.00 0.00 54.97 56.89 1x99 s GLU 65 Cb 0.00 -3.39 -0.00 0.00 0.26 0.00 0.00 34.13 31.00 1x99 s GLU 65 CO 0.00 -0.01 -0.19 1.03 -0.54 0.00 0.00 175.26 175.54 1x99 s ARG 66 N 0.58 3.16 -0.02 4.30 0.52 -1.26 -0.87 118.95 125.36 1x99 s ARG 66 Ca 0.52 -0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 54.90 1x99 s ARG 66 Cb -0.25 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 32.77 1x99 s ARG 66 CO 0.30 0.13 0.05 0.42 0.02 0.00 0.00 175.30 176.21 1x99 s ILE 67 N 0.51 0.00 0.03 1.52 1.01 -0.58 -2.72 121.20 120.97 1x99 s ILE 67 Ca -0.13 -0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.54 1x99 s ILE 67 Cb -0.17 -0.09 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 1x99 s ILE 67 CO 0.05 -0.02 -0.09 0.42 0.00 0.00 0.00 174.94 175.30 1x99 s THR 68 N -0.02 3.44 -0.15 2.92 -4.23 -0.27 -0.44 115.64 116.88 1x99 s THR 68 Ca -0.01 -0.92 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 1x99 s THR 68 Cb -0.01 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.34 1x99 s THR 68 CO 0.00 0.34 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.54 1x99 s VAL 69 N -1.02 2.25 -0.09 2.29 1.01 0.16 -1.49 120.40 123.51 1x99 s VAL 69 Ca 0.17 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 1x99 s VAL 69 Cb -0.11 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1x99 s VAL 69 CO 0.08 0.54 -0.07 0.00 0.00 0.00 0.00 175.10 175.65 1x99 s ALA 70 N 0.91 2.95 0.02 5.51 0.00 -0.16 -1.17 121.76 129.83 1x99 s ALA 70 Ca -0.04 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.05 1x99 s ALA 70 Cb -0.15 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 1x99 s ALA 70 CO -0.03 0.47 -0.04 0.14 0.00 0.00 0.00 175.76 176.29 1x99 s VAL 71 N -0.45 0.26 0.00 0.00 -7.23 -0.68 -1.65 120.40 110.64 1x99 s VAL 71 Ca 0.07 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 1x99 s VAL 71 Cb -0.12 -0.33 0.00 0.00 0.56 0.00 0.00 36.38 36.48 1x99 s VAL 71 CO 0.02 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 1x99 n GLY 72 N 1.96 1.12 2.96 2.32 0.00 -0.99 -1.19 105.19 111.36 1x99 n GLY 72 Ca -0.20 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 1x99 n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x99 s VAL 73 N -2.44 0.96 -0.14 1.61 1.01 -0.81 -0.87 120.40 119.73 1x99 s VAL 73 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1x99 s VAL 73 Cb 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.47 1x99 s VAL 73 CO 0.00 0.33 -0.15 -2.28 0.00 0.00 0.00 175.10 173.00 1x99 s HIS 74 N 1.05 2.15 -1.48 5.22 5.04 0.47 -0.57 115.29 127.16 1x99 s HIS 74 Ca -0.08 -1.16 -0.02 0.00 -1.54 0.00 0.00 55.06 52.27 1x99 s HIS 74 Cb -0.14 -1.57 0.02 0.00 0.04 0.00 0.00 32.58 30.92 1x99 s HIS 74 CO -0.01 -0.62 0.33 0.09 -2.34 0.00 0.00 174.74 172.19 1x99 n ASN 75 N 4.60 -0.18 0.00 9.88 3.02 -1.26 -1.54 115.26 129.77 1x99 n ASN 75 Ca -0.18 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 1x99 n ASN 75 Cb 0.50 -2.60 0.00 0.00 -0.61 0.00 0.00 39.78 37.08 1x99 n ASN 75 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1x99 n TYR 76 N -4.45 0.00 -4.90 3.10 4.02 -1.26 -5.00 117.16 108.67 1x99 n TYR 76 Ca -0.28 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.31 1x99 n TYR 76 Cb 0.67 -0.78 -0.15 0.00 -0.02 0.00 0.00 39.34 39.06 1x99 n TYR 76 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1x99 s LYS 77 N -0.74 1.75 0.66 -0.72 1.02 -0.59 -4.88 119.74 116.25 1x99 s LYS 77 Ca 0.00 -1.06 -0.16 0.00 0.02 0.00 0.00 55.97 54.77 1x99 s LYS 77 Cb 0.00 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 1x99 s LYS 77 CO 0.00 0.49 1.16 -0.98 -0.92 0.00 0.00 175.35 175.10 1x99 s ARG 78 N -1.16 2.65 0.12 1.68 3.03 -1.26 -0.40 118.95 123.61 1x99 s ARG 78 Ca 0.11 1.59 -0.02 0.00 2.03 0.00 0.00 55.73 59.44 1x99 s ARG 78 Cb -0.10 -1.91 -0.04 0.00 -1.03 0.00 0.00 34.95 31.87 1x99 s ARG 78 CO 0.02 -1.40 0.06 1.67 -1.13 0.00 0.00 175.30 174.52 1x99 s TRP 79 N -2.07 0.78 0.18 5.89 1.48 -0.05 -3.68 118.94 121.47 1x99 s TRP 79 Ca 0.71 -1.17 -0.18 0.00 -1.06 0.00 0.00 56.10 54.40 1x99 s TRP 79 Cb -0.25 -0.43 0.04 0.00 -1.16 0.00 0.00 33.47 31.66 1x99 s TRP 79 CO 0.40 -0.52 0.52 0.00 -4.06 0.00 0.00 176.95 173.29 1x99 s ASP 81 N -2.84 -0.56 -0.05 0.00 2.15 -0.66 -4.72 116.67 109.99 1x99 s ASP 81 Ca 0.07 0.31 0.02 0.00 0.43 0.00 0.00 52.55 53.38 1x99 s ASP 81 Cb -0.01 0.52 0.01 0.00 -0.30 0.00 0.00 42.92 43.15 1x99 s ASP 81 CO -0.06 -0.73 -0.11 -0.69 -0.17 0.00 0.00 175.17 173.41 1x99 s VAL 82 N -2.47 0.97 -0.12 1.11 1.01 -1.26 -0.98 120.40 118.66 1x99 s VAL 82 Ca -0.03 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1x99 s VAL 82 Cb -0.01 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.49 1x99 s VAL 82 CO -0.02 0.31 -0.23 -0.69 0.00 0.00 0.00 175.10 174.47 1x99 s VAL 83 N 0.46 2.03 0.50 2.92 1.01 -0.56 -4.99 120.40 121.77 1x99 s VAL 83 Ca -0.09 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 60.95 1x99 s VAL 83 Cb -0.13 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 1x99 s VAL 83 CO 0.02 0.55 0.19 0.42 0.00 0.00 0.00 175.10 176.28 1x99 s THR 84 N 0.60 1.60 -1.30 3.92 -4.23 -1.26 -1.12 115.64 113.85 1x99 s THR 84 Ca -0.13 -1.75 -0.02 0.00 -1.18 0.00 0.00 61.69 58.61 1x99 s THR 84 Cb -0.17 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1x99 s THR 84 CO 0.03 0.00 0.25 0.61 -0.54 0.00 0.00 174.62 174.97 1x99 n GLY 85 N -1.43 -0.28 3.76 3.99 0.00 -1.23 -4.97 105.19 105.02 1x99 n GLY 85 Ca -0.09 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1x99 n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x99 s LEU 86 N -5.00 4.55 0.65 0.99 1.43 -1.10 -5.03 118.68 115.17 1x99 s LEU 86 Ca 0.12 2.05 -0.11 0.00 -1.03 0.00 0.00 54.13 55.15 1x99 s LEU 86 Cb -0.05 -3.70 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 1x99 s LEU 86 CO 0.15 -0.01 1.04 -0.54 0.23 0.00 0.00 176.35 177.23 1x99 s LYS 87 N -1.45 3.26 0.46 1.70 1.02 -1.26 -4.50 119.74 118.97 1x99 s LYS 87 Ca 0.44 0.89 0.19 0.00 0.02 0.00 0.00 55.97 57.50 1x99 s LYS 87 Cb -0.27 -2.03 1.15 0.00 -0.52 0.00 0.00 37.83 36.16 1x99 s LYS 87 CO 0.34 -0.84 1.94 -1.35 -0.92 0.00 0.00 175.35 174.52 1x99 h PRO 88 N -0.43 0.29 -0.02 -1.68 0.11 -1.96 -1.38 132.00 126.93 1x99 h PRO 88 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1x99 h PRO 88 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1x99 h PRO 88 CO 0.59 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.17 1x99 n ASP 89 N -4.45 1.25 -3.97 -2.05 5.68 -1.26 -4.43 116.55 107.32 1x99 n ASP 89 Ca 0.13 -1.43 -0.43 0.00 -0.50 0.00 0.00 54.79 52.57 1x99 n ASP 89 Cb 0.56 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 1x99 n ASP 89 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1x99 n GLU 90 N -0.02 3.70 -1.71 0.11 1.02 -0.52 -4.91 120.64 118.30 1x99 n GLU 90 Ca 0.20 -3.72 -0.29 0.00 -0.02 0.00 0.00 57.16 53.33 1x99 n GLU 90 Cb 0.31 -2.88 0.11 0.00 -0.02 0.00 0.00 31.44 28.97 1x99 n GLU 90 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1x99 s THR 91 N 0.10 2.00 0.45 2.62 -4.23 -1.26 -4.78 115.64 110.54 1x99 s THR 91 Ca 0.39 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 61.01 1x99 s THR 91 Cb 0.07 -2.87 0.23 0.00 1.34 0.00 0.00 72.50 71.26 1x99 s THR 91 CO 0.02 0.00 2.04 0.00 -0.54 0.00 0.00 174.62 176.14 1x99 h ALA 92 N -1.29 1.75 -0.01 3.99 0.00 -1.96 -0.29 119.26 121.45 1x99 h ALA 92 Ca -0.48 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1x99 h ALA 92 Cb 1.33 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1x99 h ALA 92 CO 0.64 0.20 0.00 1.25 0.00 0.00 0.00 179.25 181.34 1x99 h LEU 93 N 0.21 0.01 0.10 0.00 6.46 -1.98 -0.25 115.31 119.85 1x99 h LEU 93 Ca 0.05 -0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.64 1x99 h LEU 93 Cb 0.13 -0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1x99 h LEU 93 CO 0.00 0.01 -0.74 0.58 -0.62 0.00 0.00 178.44 177.68 1x99 h VAL 94 N 0.01 1.50 0.24 1.05 2.07 -1.43 -3.41 116.25 116.29 1x99 h VAL 94 Ca 0.00 -2.40 -0.33 0.00 0.82 0.00 0.00 66.70 64.79 1x99 h VAL 94 Cb 0.01 3.03 0.03 0.00 -1.52 0.00 0.00 31.29 32.84 1x99 h VAL 94 CO -0.00 0.68 -1.50 0.40 0.02 0.00 0.00 177.57 177.17 1x99 h ILE 95 N -0.31 1.23 -0.70 4.57 1.08 -0.96 -3.37 117.51 119.05 1x99 h ILE 95 Ca -0.12 -2.66 0.08 0.00 -0.39 0.00 0.00 64.86 61.77 1x99 h ILE 95 Cb 1.53 3.01 -0.06 0.00 -3.07 0.00 0.00 36.82 38.23 1x99 h ILE 95 CO 0.14 0.81 0.38 -1.13 -0.69 0.00 0.00 178.15 177.66 1x99 h ASN 96 N 0.11 0.53 0.41 1.72 -0.73 -1.28 -0.97 115.58 115.37 1x99 h ASN 96 Ca -0.27 0.04 0.00 0.00 1.87 0.00 0.00 56.30 57.95 1x99 h ASN 96 Cb 2.14 -0.05 0.00 0.00 0.27 0.00 0.00 38.32 40.67 1x99 h ASN 96 CO 0.26 0.32 0.00 -0.65 -0.37 0.00 0.00 177.43 176.99 1x99 h PRO 97 N 0.66 0.00 0.00 6.67 0.11 -1.79 -3.10 132.00 134.56 1x99 h PRO 97 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1x99 h PRO 97 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1x99 h PRO 97 CO -0.23 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.60 1x99 n GLN 98 N -2.90 0.15 0.00 1.05 6.02 -0.37 -1.71 117.38 119.62 1x99 n GLN 98 Ca -0.01 0.48 0.14 0.00 -0.01 0.00 0.00 57.00 57.60 1x99 n GLN 98 Cb 0.16 -1.85 0.61 0.00 1.02 0.00 0.00 30.24 30.18 1x99 n GLN 98 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1x99 n TYR 99 N -2.15 0.00 -4.32 1.08 4.02 -1.17 -0.92 117.16 113.70 1x99 n TYR 99 Ca 0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.73 1x99 n TYR 99 Cb 0.15 -0.16 -0.10 0.00 -0.02 0.00 0.00 39.34 39.21 1x99 n TYR 99 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1x99 s TYR 100 N -2.41 1.53 -1.48 -0.72 2.02 -0.69 -3.77 117.35 111.81 1x99 s TYR 100 Ca 0.30 -0.91 -0.12 0.00 -0.37 0.00 0.00 57.07 55.98 1x99 s TYR 100 Cb 0.20 -0.87 0.06 0.00 -0.40 0.00 0.00 41.96 40.95 1x99 s TYR 100 CO 0.46 -0.03 0.95 0.09 -1.57 0.00 0.00 175.55 175.45 1x99 n ASN 101 N -0.39 -5.20 -3.79 2.29 3.02 -1.26 -1.49 115.26 108.43 1x99 n ASN 101 Ca -0.06 -0.65 -0.23 0.00 -0.03 0.00 0.00 54.58 53.61 1x99 n ASN 101 Cb 0.64 -4.15 0.01 0.00 -0.61 0.00 0.00 39.78 35.67 1x99 n ASN 101 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1x99 n ASN 102 N -2.80 -0.99 -0.41 6.41 3.02 -1.26 -4.89 115.26 114.35 1x99 n ASN 102 Ca 0.02 -0.90 0.12 0.00 -0.03 0.00 0.00 54.58 53.79 1x99 n ASN 102 Cb 0.54 -3.66 0.51 0.00 -0.61 0.00 0.00 39.78 36.56 1x99 n ASN 102 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x99 n GLY 103 N -1.73 -0.10 0.00 7.41 0.00 -0.56 -4.91 105.19 105.31 1x99 n GLY 103 Ca -0.30 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1x99 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x99 n GLY 104 N 1.10 1.52 0.08 -0.02 0.00 -1.11 -4.69 105.19 102.08 1x99 n GLY 104 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 1x99 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x99 n ARG 105 N -0.15 2.28 -0.33 1.61 1.74 -0.10 -4.75 116.66 116.96 1x99 n ARG 105 Ca 0.00 -1.39 0.06 0.00 -0.77 0.00 0.00 57.85 55.75 1x99 n ARG 105 Cb 0.00 -1.04 0.22 0.00 -1.02 0.00 0.00 32.46 30.62 1x99 n ARG 105 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1x99 h ASP 106 N 0.29 0.75 -0.12 0.55 3.45 -1.65 -1.24 116.42 118.45 1x99 h ASP 106 Ca 0.00 0.06 0.03 0.00 0.43 0.00 0.00 57.03 57.56 1x99 h ASP 106 Cb 0.44 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.13 1x99 h ASP 106 CO 0.00 0.38 0.09 0.10 -1.57 0.00 0.00 179.24 178.24 1x99 h TYR 107 N 0.83 0.00 -0.14 4.55 -0.00 -1.88 -0.88 116.97 119.46 1x99 h TYR 107 Ca 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 59.13 1x99 h TYR 107 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.25 1x99 h TYR 107 CO -0.04 0.00 -0.19 0.28 -0.00 0.00 0.00 178.16 178.21 1x99 h VAL 108 N 0.00 1.36 -0.71 -0.90 2.07 -1.59 -2.75 116.25 113.73 1x99 h VAL 108 Ca 0.06 -1.40 0.06 0.00 0.82 0.00 0.00 66.70 66.24 1x99 h VAL 108 Cb 0.24 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 1x99 h VAL 108 CO -0.00 0.41 0.41 -0.09 0.02 0.00 0.00 177.57 178.32 1x99 h ARG 109 N -0.03 0.73 0.00 1.57 2.43 -1.36 -2.14 114.38 115.59 1x99 h ARG 109 Ca 0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1x99 h ARG 109 Cb 0.74 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1x99 h ARG 109 CO 0.04 0.49 0.00 0.93 -1.51 0.00 0.00 179.97 179.92 1x99 h GLU 110 N 0.76 0.00 0.00 0.20 5.08 -1.09 -1.69 114.58 117.84 1x99 h GLU 110 Ca 0.32 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1x99 h GLU 110 Cb 0.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1x99 h GLU 110 CO -0.18 0.00 -0.00 0.87 -1.00 0.00 0.00 179.01 178.70 1x99 h LYS 111 N 0.00 0.00 -6.17 2.33 1.57 -1.08 -3.47 116.57 109.75 1x99 h LYS 111 Ca 0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.34 1x99 h LYS 111 Cb 0.27 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.61 1x99 h LYS 111 CO 0.00 0.00 -0.83 1.04 -0.57 0.00 0.00 179.45 179.09 1x99 n GLN 112 N -3.10 -4.74 -2.29 3.15 6.02 -0.63 -4.89 117.38 110.90 1x99 n GLN 112 Ca 0.00 0.59 -0.41 0.00 -0.01 0.00 0.00 57.00 57.17 1x99 n GLN 112 Cb 0.28 -5.12 -0.03 0.00 1.02 0.00 0.00 30.24 26.39 1x99 n GLN 112 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1x99 s LEU 113 N -6.78 4.44 0.00 1.08 1.43 -1.24 -4.69 118.68 112.92 1x99 s LEU 113 Ca 0.07 2.37 0.25 0.00 -1.03 0.00 0.00 54.13 55.79 1x99 s LEU 113 Cb -0.04 -3.62 0.55 0.00 0.03 0.00 0.00 46.19 43.12 1x99 s LEU 113 CO 0.82 -0.43 1.44 0.00 0.23 0.00 0.00 176.35 178.41 1x99 n ALA 114 N 2.20 3.09 -3.52 4.21 0.00 -1.26 -3.34 120.51 121.89 1x99 n ALA 114 Ca 0.04 -0.50 -0.18 0.00 0.00 0.00 0.00 53.44 52.81 1x99 n ALA 114 Cb 0.43 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 1x99 n ALA 114 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1x99 s GLU 115 N -2.38 1.04 -0.20 0.00 -1.05 -1.26 -1.26 118.70 113.59 1x99 s GLU 115 Ca 0.25 0.25 -0.19 0.00 -0.15 0.00 0.00 54.97 55.13 1x99 s GLU 115 Cb 0.19 0.49 0.05 0.00 -0.44 0.00 0.00 34.13 34.42 1x99 s GLU 115 CO 0.49 -0.32 0.55 -0.47 0.95 0.00 0.00 175.26 176.45 1x99 s TYR 116 N -1.19 -0.59 0.02 4.83 5.04 -0.25 -5.00 117.35 120.20 1x99 s TYR 116 Ca -0.10 1.44 -0.00 0.00 -2.44 0.00 0.00 57.07 55.96 1x99 s TYR 116 Cb -0.00 0.21 -0.02 0.00 0.35 0.00 0.00 41.96 42.50 1x99 s TYR 116 CO 0.10 -0.30 -0.02 -1.54 -1.34 0.00 0.00 175.55 172.44 1x99 s SER 117 N 0.21 0.22 -0.08 4.32 1.04 -1.26 -0.59 113.70 117.56 1x99 s SER 117 Ca -0.01 -0.46 -0.20 0.00 0.48 0.00 0.00 55.95 55.76 1x99 s SER 117 Cb -0.04 0.10 0.04 0.00 0.10 0.00 0.00 66.02 66.23 1x99 s SER 117 CO 0.01 -0.29 0.47 0.54 0.98 0.00 0.00 173.24 174.95 1x99 s VAL 118 N -1.39 0.02 -0.18 5.02 0.11 -0.56 -5.01 120.40 118.41 1x99 s VAL 118 Ca -0.15 -0.20 -0.03 0.00 -2.93 0.00 0.00 61.98 58.67 1x99 s VAL 118 Cb -0.09 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 1x99 s VAL 118 CO -0.01 -0.11 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.72 1x99 s THR 119 N -0.81 3.62 0.88 5.04 2.01 -1.26 -0.85 115.64 124.27 1x99 s THR 119 Ca -0.09 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 1x99 s THR 119 Cb -0.03 -2.61 0.12 0.00 0.01 0.00 0.00 72.50 69.99 1x99 s THR 119 CO 0.05 0.46 1.09 -0.94 -0.69 0.00 0.00 174.62 174.59 1x99 s SER 120 N 0.84 3.59 0.55 3.53 1.04 0.65 -4.89 113.70 119.01 1x99 s SER 120 Ca -0.01 1.63 0.23 0.00 0.48 0.00 0.00 55.95 58.28 1x99 s SER 120 Cb -0.15 -2.30 1.50 0.00 0.10 0.00 0.00 66.02 65.18 1x99 s SER 120 CO 0.02 -2.59 2.16 0.00 0.98 0.00 0.00 173.24 173.81 1x99 h ALA 121 N -1.51 1.87 -0.39 5.32 0.00 -1.96 -0.94 119.26 121.66 1x99 h ALA 121 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1x99 h ALA 121 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1x99 h ALA 121 CO 0.52 -0.10 0.00 0.44 0.00 0.00 0.00 179.25 180.12 1x99 n ILE 122 N -4.22 0.51 0.00 0.00 -5.35 -1.26 -4.95 119.36 104.09 1x99 n ILE 122 Ca -0.01 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 1x99 n ILE 122 Cb 0.16 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 1x99 n ILE 122 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x99 n GLY 123 N 1.32 1.08 3.67 3.28 0.00 -0.36 -5.08 105.19 109.10 1x99 n GLY 123 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1x99 n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x99 s THR 124 N -2.00 5.13 -0.05 2.61 2.01 -1.26 -4.80 115.64 117.28 1x99 s THR 124 Ca 0.00 0.91 -0.16 0.00 0.31 0.00 0.00 61.69 62.74 1x99 s THR 124 Cb 0.00 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1x99 s THR 124 CO 0.00 0.20 0.44 -0.75 -0.69 0.00 0.00 174.62 173.82 1x99 s LYS 125 N 1.54 4.12 -0.06 4.92 2.20 -0.45 -0.26 119.74 131.75 1x99 s LYS 125 Ca 0.23 0.43 0.02 0.00 -0.36 0.00 0.00 55.97 56.30 1x99 s LYS 125 Cb -0.15 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 32.86 1x99 s LYS 125 CO 0.09 0.46 -0.12 0.08 -0.36 0.00 0.00 175.35 175.50 1x99 s VAL 126 N -0.35 1.11 -0.03 4.02 1.01 -0.03 -0.85 120.40 125.29 1x99 s VAL 126 Ca 0.24 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.80 1x99 s VAL 126 Cb -0.16 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 1x99 s VAL 126 CO 0.12 0.35 -0.20 -1.61 0.00 0.00 0.00 175.10 173.76 1x99 s GLU 127 N 0.58 1.77 -0.16 2.72 2.02 -0.31 -1.49 118.70 123.83 1x99 s GLU 127 Ca -0.13 -0.70 -0.01 0.00 0.02 0.00 0.00 54.97 54.15 1x99 s GLU 127 Cb -0.15 -1.62 -0.01 0.00 0.10 0.00 0.00 34.13 32.45 1x99 s GLU 127 CO 0.03 0.36 -0.11 0.08 0.02 0.00 0.00 175.26 175.64 1x99 s VAL 128 N -0.27 3.01 -0.10 2.63 1.01 0.24 -0.45 120.40 126.47 1x99 s VAL 128 Ca 0.03 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1x99 s VAL 128 Cb -0.10 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 34.02 1x99 s VAL 128 CO 0.01 0.50 -0.01 0.54 0.00 0.00 0.00 175.10 176.13 1x99 s VAL 129 N 0.82 0.58 -0.04 2.92 0.11 -0.35 -1.09 120.40 123.34 1x99 s VAL 129 Ca -0.04 -0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 58.61 1x99 s VAL 129 Cb -0.15 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1x99 s VAL 129 CO 0.01 0.21 1.26 -0.31 -3.33 0.00 0.00 175.10 172.94 1x99 s TYR 130 N 1.88 3.07 -0.12 1.54 1.51 -0.39 -0.75 117.35 124.09 1x99 s TYR 130 Ca 0.04 1.08 0.17 0.00 -1.01 0.00 0.00 57.07 57.36 1x99 s TYR 130 Cb -0.13 -3.50 -0.19 0.00 -0.11 0.00 0.00 41.96 38.03 1x99 s TYR 130 CO -0.06 -1.67 0.63 0.25 -1.11 0.00 0.00 175.55 173.58 1x99 n THR 131 N 4.67 1.14 -3.99 -0.71 -2.24 0.47 -4.62 114.28 109.00 1x99 n THR 131 Ca 0.12 -0.71 -0.31 0.00 -2.27 0.00 0.00 64.05 60.87 1x99 n THR 131 Cb 0.45 -0.64 -0.15 0.00 -2.10 0.00 0.00 70.33 67.89 1x99 n THR 131 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1x99 s VAL 132 N -2.88 1.82 -1.13 2.28 1.01 -0.87 -4.96 120.40 115.68 1x99 s VAL 132 Ca -0.05 -1.50 0.11 0.00 0.00 0.00 0.00 61.98 60.54 1x99 s VAL 132 Cb 0.09 -2.06 0.19 0.00 0.00 0.00 0.00 36.38 34.59 1x99 s VAL 132 CO 0.83 -0.14 1.03 0.00 0.00 0.00 0.00 175.10 176.82 1x99 n ALA 133 N 4.55 2.33 -2.35 5.51 0.00 -1.26 -1.95 120.51 127.34 1x99 n ALA 133 Ca -0.11 -0.85 -0.13 0.00 0.00 0.00 0.00 53.44 52.35 1x99 n ALA 133 Cb 0.43 -0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 1x99 n ALA 133 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1x99 s GLU 134 N -0.94 0.87 0.72 0.00 1.03 -1.26 -4.69 118.70 114.43 1x99 s GLU 134 Ca 0.17 -1.26 0.00 0.00 0.03 0.00 0.00 54.97 53.91 1x99 s GLU 134 Cb 0.10 -0.42 0.00 0.00 -0.80 0.00 0.00 34.13 33.01 1x99 s GLU 134 CO 0.14 0.04 0.00 0.41 -1.33 0.00 0.00 175.26 174.53 1x99 n GLY 135 N 0.24 -1.89 0.00 -3.83 0.00 -1.26 -4.59 105.19 93.85 1x99 n GLY 135 Ca -0.14 -1.66 0.11 0.00 0.00 0.00 0.00 46.02 44.34 1x99 n GLY 135 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x99 n ASN 136 N 0.51 0.65 -3.85 1.61 0.23 -1.26 -4.58 115.26 108.57 1x99 n ASN 136 Ca 0.00 -0.48 -0.28 0.00 -0.53 0.00 0.00 54.58 53.29 1x99 n ASN 136 Cb 0.00 0.49 -0.12 0.00 -2.08 0.00 0.00 39.78 38.07 1x99 n ASN 136 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1x99 n ASN 137 N -1.51 3.05 -4.87 0.53 3.02 -1.26 -0.58 115.26 113.63 1x99 n ASN 137 Ca 0.05 -3.22 -0.31 0.00 -0.03 0.00 0.00 54.58 51.07 1x99 n ASN 137 Cb 0.34 -0.75 -0.03 0.00 -0.61 0.00 0.00 39.78 38.72 1x99 n ASN 137 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x99 s LEU 138 N -1.55 3.85 -0.02 3.41 1.43 0.14 -4.94 118.68 121.00 1x99 s LEU 138 Ca 0.26 1.16 -0.01 0.00 -1.03 0.00 0.00 54.13 54.51 1x99 s LEU 138 Cb -0.02 -4.03 0.01 0.00 0.03 0.00 0.00 46.19 42.17 1x99 s LEU 138 CO -0.16 -0.38 0.04 -1.61 0.23 0.00 0.00 176.35 174.47 1x99 s GLU 139 N -3.76 0.03 0.01 1.70 2.02 -0.82 -1.07 118.70 116.80 1x99 s GLU 139 Ca 0.52 0.08 -0.09 0.00 0.02 0.00 0.00 54.97 55.50 1x99 s GLU 139 Cb -0.10 -0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.10 1x99 s GLU 139 CO 0.30 -0.03 0.17 0.00 0.02 0.00 0.00 175.26 175.71 1x99 s ALA 140 N 0.21 -0.39 -0.07 5.21 0.00 -0.09 -0.40 121.76 126.24 1x99 s ALA 140 Ca -0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.73 1x99 s ALA 140 Cb -0.02 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 1x99 s ALA 140 CO -0.01 -0.25 0.24 -0.80 0.00 0.00 0.00 175.76 174.95 1x99 s ASN 141 N -1.53 6.55 -0.23 0.00 0.01 0.07 -1.96 114.94 117.86 1x99 s ASN 141 Ca -0.13 0.66 -0.04 0.00 -0.71 0.00 0.00 52.86 52.65 1x99 s ASN 141 Cb -0.06 -2.14 -0.00 0.00 0.41 0.00 0.00 41.25 39.46 1x99 s ASN 141 CO 0.01 0.38 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.24 1x99 s VAL 142 N -1.05 3.32 -0.17 1.60 1.01 -0.04 -1.21 120.40 123.85 1x99 s VAL 142 Ca 0.19 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1x99 s VAL 142 Cb -0.14 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.73 1x99 s VAL 142 CO 0.08 0.38 -0.18 -0.63 0.00 0.00 0.00 175.10 174.75 1x99 s ILE 143 N 1.46 1.86 -0.17 2.22 1.01 0.40 -0.31 121.20 127.67 1x99 s ILE 143 Ca 0.05 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 1x99 s ILE 143 Cb -0.15 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 1x99 s ILE 143 CO -0.03 0.51 0.14 -0.36 0.00 0.00 0.00 174.94 175.19 1x99 s PHE 144 N 1.34 3.48 0.00 3.97 0.40 0.11 -1.16 117.98 126.13 1x99 s PHE 144 Ca 0.04 0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.79 1x99 s PHE 144 Cb -0.13 -2.09 0.00 0.00 0.51 0.00 0.00 43.02 41.31 1x99 s PHE 144 CO -0.12 0.45 0.00 -1.13 0.70 0.00 0.00 175.22 175.13