#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eal s ALA 8 N 0.00 2.95 0.65 1.69 0.00 -1.26 -4.52 121.76 121.27 2eal s ALA 8 Ca 0.00 0.96 -0.15 0.00 0.00 0.00 0.00 51.96 52.76 2eal s ALA 8 Cb 0.00 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 2eal s ALA 8 CO 0.00 -0.71 1.12 -1.25 0.00 0.00 0.00 175.76 174.92 2eal s PRO 9 N -2.73 2.81 -0.26 0.00 0.04 -1.26 -4.89 135.00 128.70 2eal s PRO 9 Ca 0.64 1.44 -0.24 0.00 0.04 0.00 0.00 61.00 62.89 2eal s PRO 9 Cb -0.29 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 2eal s PRO 9 CO 0.35 -1.25 0.80 0.71 0.04 0.00 0.00 177.00 177.65 2eal s TYR 10 N -2.25 3.27 -0.18 0.56 2.02 0.36 -4.93 117.35 116.20 2eal s TYR 10 Ca 0.68 1.01 -0.09 0.00 -0.37 0.00 0.00 57.07 58.31 2eal s TYR 10 Cb -0.21 -3.09 -0.05 0.00 -0.40 0.00 0.00 41.96 38.21 2eal s TYR 10 CO 0.40 -0.45 0.11 -0.51 -1.57 0.00 0.00 175.55 173.53 2eal s LEU 11 N 2.86 4.10 -1.49 -1.29 1.43 -1.26 -0.73 118.68 122.31 2eal s LEU 11 Ca 0.34 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.64 2eal s LEU 11 Cb -0.15 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.03 2eal s LEU 11 CO 0.09 0.22 0.17 -1.20 0.23 0.00 0.00 176.35 175.86 2eal n SER 12 N 3.26 0.31 -4.75 2.29 7.64 0.16 -4.90 113.62 117.63 2eal n SER 12 Ca -0.17 -1.19 -0.41 0.00 1.01 0.00 0.00 58.87 58.11 2eal n SER 12 Cb 0.53 -2.09 -0.03 0.00 -1.01 0.00 0.00 64.21 61.60 2eal n SER 12 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2eal s PRO 13 N -7.10 4.37 0.50 1.43 0.04 -1.26 -4.99 135.00 128.00 2eal s PRO 13 Ca 0.02 2.13 -0.22 0.00 0.04 0.00 0.00 61.00 62.97 2eal s PRO 13 Cb -0.01 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.33 2eal s PRO 13 CO 0.96 -0.23 1.22 0.00 0.04 0.00 0.00 177.00 178.99 2eal s ALA 14 N -0.37 2.87 -0.18 8.56 0.00 -1.26 -4.34 121.76 127.03 2eal s ALA 14 Ca 0.54 1.05 -0.07 0.00 0.00 0.00 0.00 51.96 53.48 2eal s ALA 14 Cb -0.38 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 2eal s ALA 14 CO 0.44 -0.91 0.05 0.08 0.00 0.00 0.00 175.76 175.42 2eal s VAL 15 N -1.49 4.64 0.44 0.00 1.01 -1.26 -3.21 120.40 120.52 2eal s VAL 15 Ca 0.68 -0.08 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 2eal s VAL 15 Cb -0.32 -3.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 2eal s VAL 15 CO 0.38 0.45 1.09 -2.16 0.00 0.00 0.00 175.10 174.86 2eal s PRO 16 N 0.48 3.95 -0.03 2.72 0.04 -1.26 -4.96 135.00 135.94 2eal s PRO 16 Ca 0.02 1.57 0.04 0.00 0.04 0.00 0.00 61.00 62.67 2eal s PRO 16 Cb -0.13 -2.41 -0.00 0.00 0.04 0.00 0.00 34.50 32.00 2eal s PRO 16 CO 0.01 -0.34 -0.14 0.12 0.04 0.00 0.00 177.00 176.69 2eal s PHE 17 N -1.68 1.40 -0.01 0.56 5.36 0.23 -5.00 117.98 118.83 2eal s PHE 17 Ca 0.62 -0.35 0.02 0.00 -0.96 0.00 0.00 56.93 56.25 2eal s PHE 17 Cb -0.23 -0.94 0.00 0.00 -0.34 0.00 0.00 43.02 41.51 2eal s PHE 17 CO 0.28 -0.11 -0.07 -1.54 -1.46 0.00 0.00 175.22 172.33 2eal s SER 18 N -0.03 0.87 0.01 6.13 1.04 -1.26 -0.24 113.70 120.22 2eal s SER 18 Ca -0.01 -0.13 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 2eal s SER 18 Cb -0.09 -0.18 0.03 0.00 0.10 0.00 0.00 66.02 65.88 2eal s SER 18 CO 0.01 0.06 0.37 -0.83 0.98 0.00 0.00 173.24 173.83 2eal s GLY 19 N 0.08 -0.22 0.23 7.32 0.00 0.24 -5.00 107.32 109.97 2eal s GLY 19 Ca -0.01 0.34 -0.30 0.00 0.00 0.00 0.00 44.72 44.75 2eal s GLY 19 CO -0.00 0.10 1.19 -1.59 0.00 0.00 0.00 173.10 172.80 2eal s THR 20 N -1.94 3.43 -0.41 0.90 2.01 -1.26 -0.69 115.64 117.68 2eal s THR 20 Ca -0.09 1.28 -0.17 0.00 0.31 0.00 0.00 61.69 63.03 2eal s THR 20 Cb -0.02 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.68 2eal s THR 20 CO 0.01 0.24 0.40 -0.63 -0.69 0.00 0.00 174.62 173.95 2eal s ILE 21 N -0.45 5.13 0.04 1.82 1.01 -0.11 -4.83 121.20 123.82 2eal s ILE 21 Ca 0.50 -0.35 -0.31 0.00 0.00 0.00 0.00 60.65 60.50 2eal s ILE 21 Cb -0.33 -3.99 -0.07 0.00 0.01 0.00 0.00 42.46 38.08 2eal s ILE 21 CO 0.40 -0.35 1.43 -1.10 0.00 0.00 0.00 174.94 175.32 2eal s GLN 22 N 2.03 4.28 0.00 2.79 -1.52 -1.26 -1.71 119.66 124.27 2eal s GLN 22 Ca 0.11 2.05 0.00 0.00 -1.95 0.00 0.00 55.36 55.56 2eal s GLN 22 Cb -0.17 -3.49 0.00 0.00 -0.22 0.00 0.00 33.01 29.13 2eal s GLN 22 CO 0.13 -0.56 0.00 0.41 -0.25 0.00 0.00 175.29 175.02 2eal n GLY 23 N 3.65 1.91 0.51 3.09 0.00 -1.26 -4.91 105.19 108.18 2eal n GLY 23 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 2eal n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eal n GLY 24 N -2.00 -1.53 3.76 -0.02 0.00 -0.69 -4.79 105.19 99.92 2eal n GLY 24 Ca 0.00 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 2eal n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eal s LEU 25 N -3.93 4.40 0.04 0.99 1.43 -0.90 -5.02 118.68 115.70 2eal s LEU 25 Ca 0.00 2.68 0.02 0.00 -1.03 0.00 0.00 54.13 55.81 2eal s LEU 25 Cb 0.00 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 2eal s LEU 25 CO 0.00 -0.63 -0.08 -1.10 0.23 0.00 0.00 176.35 174.77 2eal s GLN 26 N -1.08 0.53 0.05 1.70 -1.52 -1.26 -4.54 119.66 113.54 2eal s GLN 26 Ca 0.54 -0.68 -0.34 0.00 -1.95 0.00 0.00 55.36 52.93 2eal s GLN 26 Cb -0.41 -0.34 -0.13 0.00 -0.22 0.00 0.00 33.01 31.91 2eal s GLN 26 CO 0.48 0.07 1.72 -3.47 -0.25 0.00 0.00 175.29 173.84 2eal n ASP 27 N 1.68 3.29 0.00 5.90 -0.08 -1.26 -1.64 116.55 124.44 2eal n ASP 27 Ca -0.21 1.03 0.00 0.00 -1.51 0.00 0.00 54.79 54.10 2eal n ASP 27 Cb 0.55 -1.41 0.00 0.00 2.34 0.00 0.00 41.12 42.60 2eal n ASP 27 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2eal n GLY 28 N 3.88 1.45 3.76 0.27 0.00 0.32 -5.01 105.19 109.87 2eal n GLY 28 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2eal n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2eal s LEU 29 N 0.00 4.33 -0.15 0.99 2.96 -0.65 -4.74 118.68 121.42 2eal s LEU 29 Ca 0.00 2.99 0.01 0.00 -0.22 0.00 0.00 54.13 56.91 2eal s LEU 29 Cb 0.00 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 43.04 2eal s LEU 29 CO 0.00 -0.90 -0.17 -1.10 -1.32 0.00 0.00 176.35 172.86 2eal s GLN 30 N -1.12 3.15 -0.16 1.98 -0.21 0.06 -1.06 119.66 122.30 2eal s GLN 30 Ca 0.59 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 55.19 2eal s GLN 30 Cb -0.47 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 30.97 2eal s GLN 30 CO 0.54 -0.01 -0.17 0.42 -2.12 0.00 0.00 175.29 173.95 2eal s ILE 31 N 0.84 2.46 -0.12 1.08 1.09 -0.08 -1.07 121.20 125.40 2eal s ILE 31 Ca -0.05 -0.83 -0.02 0.00 -1.10 0.00 0.00 60.65 58.64 2eal s ILE 31 Cb -0.15 -2.03 -0.03 0.00 -1.06 0.00 0.00 42.46 39.19 2eal s ILE 31 CO -0.01 0.52 -0.03 -0.89 -0.10 0.00 0.00 174.94 174.43 2eal s THR 32 N 0.93 4.01 -0.25 2.92 2.01 -0.25 -0.53 115.64 124.48 2eal s THR 32 Ca -0.04 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.65 2eal s THR 32 Cb -0.15 -2.71 0.06 0.00 0.01 0.00 0.00 72.50 69.70 2eal s THR 32 CO -0.03 0.55 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.66 2eal s VAL 33 N -0.27 2.05 -0.13 3.82 1.01 0.48 -0.90 120.40 126.47 2eal s VAL 33 Ca 0.05 -1.53 0.02 0.00 0.00 0.00 0.00 61.98 60.52 2eal s VAL 33 Cb -0.13 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 2eal s VAL 33 CO 0.02 -0.01 -0.18 0.21 0.00 0.00 0.00 175.10 175.13 2eal s ASN 34 N 1.16 3.50 0.00 3.32 3.84 -0.61 -0.67 114.94 125.48 2eal s ASN 34 Ca -0.08 -0.47 0.00 0.00 0.21 0.00 0.00 52.86 52.52 2eal s ASN 34 Cb -0.19 -1.51 0.00 0.00 -0.55 0.00 0.00 41.25 39.00 2eal s ASN 34 CO -0.06 0.14 0.00 0.61 -2.79 0.00 0.00 177.10 175.00 2eal n GLY 35 N 3.70 1.37 2.83 1.21 0.00 -0.89 0.02 105.19 113.44 2eal n GLY 35 Ca -0.19 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 2eal n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2eal s THR 36 N -1.84 0.03 0.05 2.61 2.01 0.19 -0.66 115.64 118.03 2eal s THR 36 Ca 0.00 0.08 -0.31 0.00 0.31 0.00 0.00 61.69 61.77 2eal s THR 36 Cb 0.00 -0.10 -0.06 0.00 0.01 0.00 0.00 72.50 72.35 2eal s THR 36 CO 0.00 0.06 1.22 -0.69 -0.69 0.00 0.00 174.62 174.52 2eal s VAL 37 N 0.54 4.00 0.62 3.82 1.01 -0.75 -0.55 120.40 129.10 2eal s VAL 37 Ca -0.05 1.42 -0.17 0.00 0.00 0.00 0.00 61.98 63.18 2eal s VAL 37 Cb -0.07 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2eal s VAL 37 CO -0.01 0.10 1.18 -0.76 0.00 0.00 0.00 175.10 175.60 2eal s LEU 38 N 1.21 3.56 0.00 3.92 1.43 -0.22 -0.49 118.68 128.08 2eal s LEU 38 Ca 0.59 2.29 0.24 0.00 -1.03 0.00 0.00 54.13 56.22 2eal s LEU 38 Cb -0.30 -4.59 0.45 0.00 0.03 0.00 0.00 46.19 41.79 2eal s LEU 38 CO 0.29 -1.68 1.41 -1.54 0.23 0.00 0.00 176.35 175.05 2eal n SER 39 N -1.91 2.80 -4.05 2.29 3.41 -1.26 -3.23 113.62 111.67 2eal n SER 39 Ca 0.13 -1.90 -0.30 0.00 -0.26 0.00 0.00 58.87 56.54 2eal n SER 39 Cb 0.50 -0.10 0.23 0.00 -0.26 0.00 0.00 64.21 64.59 2eal n SER 39 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2eal s SER 40 N -1.77 1.00 0.00 4.04 1.04 -1.26 -4.94 113.70 111.82 2eal s SER 40 Ca 0.34 0.89 0.29 0.00 0.48 0.00 0.00 55.95 57.94 2eal s SER 40 Cb 0.21 -1.32 1.17 0.00 0.10 0.00 0.00 66.02 66.18 2eal s SER 40 CO 0.31 -4.10 1.88 -1.54 0.98 0.00 0.00 173.24 170.76 2eal n SER 41 N -4.78 0.06 -4.73 7.02 3.41 -1.26 -4.85 113.62 108.48 2eal n SER 41 Ca 0.10 0.38 -0.35 0.00 -0.26 0.00 0.00 58.87 58.74 2eal n SER 41 Cb 0.58 -0.40 0.07 0.00 -0.26 0.00 0.00 64.21 64.20 2eal n SER 41 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2eal s GLY 42 N -2.98 2.49 0.00 5.00 0.00 -1.26 -4.98 107.32 105.59 2eal s GLY 42 Ca 0.14 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.79 2eal s GLY 42 CO 0.55 1.33 0.48 -1.30 0.00 0.00 0.00 173.10 174.16 2eal n THR 43 N -2.35 0.22 -4.01 0.90 -2.24 -1.26 -4.88 114.28 100.66 2eal n THR 43 Ca 0.14 -0.40 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 2eal n THR 43 Cb 0.50 1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 69.77 2eal n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2eal s ARG 44 N -0.22 0.39 0.21 -0.78 0.52 -1.26 -0.11 118.95 117.69 2eal s ARG 44 Ca 0.00 -0.66 -0.02 0.00 -0.52 0.00 0.00 55.73 54.53 2eal s ARG 44 Cb 0.00 -0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.39 2eal s ARG 44 CO 0.00 -0.01 0.17 -0.59 0.02 0.00 0.00 175.30 174.89 2eal s PHE 45 N -1.41 1.09 -0.08 -0.53 -0.12 -1.01 -1.00 117.98 114.92 2eal s PHE 45 Ca -0.14 -1.32 -0.17 0.00 -0.05 0.00 0.00 56.93 55.26 2eal s PHE 45 Cb -0.10 -0.48 0.04 0.00 -0.63 0.00 0.00 43.02 41.85 2eal s PHE 45 CO -0.00 -0.69 0.41 0.00 -0.05 0.00 0.00 175.22 174.89 2eal s ALA 46 N -4.12 -1.04 -0.19 1.99 0.00 -0.19 -2.95 121.76 115.26 2eal s ALA 46 Ca 0.37 0.83 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 2eal s ALA 46 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 2eal s ALA 46 CO 0.12 -0.25 -0.07 0.08 0.00 0.00 0.00 175.76 175.64 2eal s VAL 47 N -0.65 3.29 -0.10 0.00 1.01 -0.32 -1.35 120.40 122.28 2eal s VAL 47 Ca -0.08 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2eal s VAL 47 Cb -0.04 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 2eal s VAL 47 CO 0.03 0.46 -0.10 0.20 0.00 0.00 0.00 175.10 175.69 2eal s ASN 48 N 1.11 4.30 -0.32 3.32 0.01 0.18 -1.01 114.94 122.52 2eal s ASN 48 Ca 0.01 -0.19 -0.08 0.00 -0.71 0.00 0.00 52.86 51.89 2eal s ASN 48 Cb -0.15 -1.37 0.01 0.00 0.41 0.00 0.00 41.25 40.16 2eal s ASN 48 CO -0.01 0.25 0.12 -0.36 -1.51 0.00 0.00 177.10 175.59 2eal s PHE 49 N -0.16 3.19 0.21 2.20 0.08 0.16 -1.17 117.98 122.50 2eal s PHE 49 Ca 0.01 -0.97 0.01 0.00 0.12 0.00 0.00 56.93 56.10 2eal s PHE 49 Cb -0.13 -2.31 -0.05 0.00 -0.57 0.00 0.00 43.02 39.96 2eal s PHE 49 CO 0.03 -0.59 0.06 1.14 -0.10 0.00 0.00 175.22 175.76 2eal s GLN 50 N 1.52 1.25 -0.30 0.44 -2.07 -0.47 -0.73 119.66 119.30 2eal s GLN 50 Ca 0.02 -1.65 -0.08 0.00 -1.82 0.00 0.00 55.36 51.83 2eal s GLN 50 Cb -0.18 -0.21 0.00 0.00 -1.09 0.00 0.00 33.01 31.53 2eal s GLN 50 CO 0.04 -0.23 0.12 0.99 -1.32 0.00 0.00 175.29 174.89 2eal s THR 51 N -3.75 4.27 0.00 3.63 2.01 -0.82 -1.91 115.64 119.07 2eal s THR 51 Ca 0.32 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.74 2eal s THR 51 Cb 0.07 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.39 2eal s THR 51 CO 0.09 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 2eal n GLY 52 N 4.92 -0.83 0.66 4.40 0.00 -1.26 -4.53 105.19 108.56 2eal n GLY 52 Ca -0.14 -1.08 0.06 0.00 0.00 0.00 0.00 46.02 44.85 2eal n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2eal n PHE 53 N -0.91 0.56 0.15 1.61 3.72 -1.26 -4.63 117.46 116.71 2eal n PHE 53 Ca 0.00 -0.61 0.03 0.00 -0.05 0.00 0.00 57.45 56.82 2eal n PHE 53 Cb 0.00 -0.11 0.14 0.00 -0.94 0.00 0.00 39.48 38.58 2eal n PHE 53 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2eal h SER 54 N 1.83 0.00 0.00 4.37 4.64 -1.95 -3.47 113.55 118.98 2eal h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2eal h SER 54 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2eal h SER 54 CO 0.06 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 2eal n GLY 55 N 0.82 0.93 0.04 -0.77 0.00 -1.26 -4.90 105.19 100.05 2eal n GLY 55 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 2eal n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2eal n ASN 56 N 0.00 0.50 -3.94 1.61 5.03 -1.26 -4.66 115.26 112.54 2eal n ASN 56 Ca 0.00 -0.08 -0.31 0.00 0.87 0.00 0.00 54.58 55.06 2eal n ASN 56 Cb 0.00 1.12 -0.15 0.00 -1.02 0.00 0.00 39.78 39.73 2eal n ASN 56 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2eal s ASP 57 N -4.36 4.53 -0.24 6.41 1.01 -1.26 -0.46 116.67 122.29 2eal s ASP 57 Ca -0.01 -1.96 0.02 0.00 0.71 0.00 0.00 52.55 51.31 2eal s ASP 57 Cb 0.13 -1.40 0.06 0.00 1.01 0.00 0.00 42.92 42.71 2eal s ASP 57 CO 0.84 -0.38 -0.10 -0.63 0.21 0.00 0.00 175.17 175.10 2eal s ILE 58 N 1.12 2.00 0.26 0.77 1.01 0.56 -1.95 121.20 124.98 2eal s ILE 58 Ca 0.10 -1.46 -0.02 0.00 0.00 0.00 0.00 60.65 59.26 2eal s ILE 58 Cb -0.19 -2.11 0.13 0.00 0.01 0.00 0.00 42.46 40.30 2eal s ILE 58 CO -0.13 0.01 1.79 0.00 0.00 0.00 0.00 174.94 176.62 2eal h ALA 59 N 7.83 1.15 -2.19 9.38 0.00 -1.15 0.50 119.26 134.78 2eal h ALA 59 Ca -0.21 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 2eal h ALA 59 Cb 1.06 -0.21 -0.30 0.00 0.00 0.00 0.00 17.79 18.34 2eal h ALA 59 CO 0.46 0.57 -0.47 0.12 0.00 0.00 0.00 179.25 179.93 2eal s PHE 60 N -5.13 -0.74 -0.34 0.00 5.36 -0.98 -4.55 117.98 111.61 2eal s PHE 60 Ca -0.10 0.97 -0.08 0.00 -0.96 0.00 0.00 56.93 56.77 2eal s PHE 60 Cb 0.15 0.06 0.03 0.00 -0.34 0.00 0.00 43.02 42.92 2eal s PHE 60 CO 0.81 -0.62 0.13 -1.58 -1.46 0.00 0.00 175.22 172.50 2eal s HIS 61 N 2.53 3.23 -0.31 10.12 5.65 0.45 -0.66 115.29 136.31 2eal s HIS 61 Ca 0.08 -1.19 -0.08 0.00 0.25 0.00 0.00 55.06 54.11 2eal s HIS 61 Cb -0.14 -2.32 0.01 0.00 -1.18 0.00 0.00 32.58 28.94 2eal s HIS 61 CO -0.14 -0.67 0.12 0.12 -0.65 0.00 0.00 174.74 173.52 2eal s PHE 62 N 1.47 3.17 -0.45 3.88 5.36 -0.18 -1.75 117.98 129.48 2eal s PHE 62 Ca 0.00 -0.84 0.04 0.00 -0.96 0.00 0.00 56.93 55.17 2eal s PHE 62 Cb -0.19 -2.31 0.17 0.00 -0.34 0.00 0.00 43.02 40.35 2eal s PHE 62 CO 0.04 -0.54 0.37 -1.71 -1.46 0.00 0.00 175.22 171.92 2eal n ASN 63 N 4.92 0.03 -4.77 6.13 5.15 0.26 -1.17 115.26 125.81 2eal n ASN 63 Ca -0.14 -2.50 -0.40 0.00 -0.60 0.00 0.00 54.58 50.94 2eal n ASN 63 Cb 0.48 -0.58 -0.02 0.00 -0.53 0.00 0.00 39.78 39.13 2eal n ASN 63 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2eal s PRO 64 N -0.21 4.30 -0.14 1.20 0.02 -1.15 -0.82 135.00 138.19 2eal s PRO 64 Ca 0.32 2.13 -0.01 0.00 0.02 0.00 0.00 61.00 63.46 2eal s PRO 64 Cb 0.04 -3.00 0.04 0.00 0.02 0.00 0.00 34.50 31.59 2eal s PRO 64 CO -0.19 -0.20 -0.04 1.03 -0.33 0.00 0.00 177.00 177.27 2eal s ARG 65 N -1.87 1.23 -1.36 5.54 0.52 0.78 -2.41 118.95 121.38 2eal s ARG 65 Ca 0.50 -0.35 -0.09 0.00 -0.52 0.00 0.00 55.73 55.27 2eal s ARG 65 Cb -0.38 -1.77 0.10 0.00 0.52 0.00 0.00 34.95 33.42 2eal s ARG 65 CO 0.50 -0.40 2.21 1.19 0.02 0.00 0.00 175.30 178.81 2eal n PHE 66 N 4.95 2.87 -3.74 -0.53 3.72 0.84 -1.62 117.46 123.96 2eal n PHE 66 Ca -0.11 -2.87 -0.13 0.00 -0.05 0.00 0.00 57.45 54.29 2eal n PHE 66 Cb 0.48 -2.09 -0.10 0.00 -0.94 0.00 0.00 39.48 36.84 2eal n PHE 66 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2eal s GLU 67 N 0.66 0.54 -1.83 -1.08 2.02 -1.26 -4.85 118.70 112.90 2eal s GLU 67 Ca 0.48 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.81 2eal s GLU 67 Cb 0.14 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.62 2eal s GLU 67 CO -0.05 -0.10 0.00 -0.25 0.02 0.00 0.00 175.26 174.88 2eal n ASP 68 N 2.35 -5.71 0.00 -0.19 8.00 -1.26 -1.16 116.55 118.58 2eal n ASP 68 Ca -0.16 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.44 2eal n ASP 68 Cb 0.57 -4.79 0.00 0.00 -0.02 0.00 0.00 41.12 36.88 2eal n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2eal n GLY 69 N -0.90 0.60 0.09 0.44 0.00 -1.26 -4.90 105.19 99.26 2eal n GLY 69 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2eal n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eal n GLY 70 N -2.00 0.36 3.62 -0.02 0.00 -0.31 -4.85 105.19 101.99 2eal n GLY 70 Ca 0.00 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 2eal n GLY 70 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2eal s TYR 71 N -0.03 0.19 -0.08 1.61 -0.85 -0.64 -4.23 117.35 113.32 2eal s TYR 71 Ca 0.00 -0.57 0.02 0.00 -0.52 0.00 0.00 57.07 56.01 2eal s TYR 71 Cb 0.00 0.31 0.01 0.00 0.38 0.00 0.00 41.96 42.66 2eal s TYR 71 CO 0.00 -1.02 -0.15 0.08 -1.52 0.00 0.00 175.55 172.95 2eal s VAL 72 N -3.98 1.36 -0.11 -3.49 1.01 -0.03 -0.15 120.40 115.02 2eal s VAL 72 Ca 0.18 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 2eal s VAL 72 Cb -0.02 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 2eal s VAL 72 CO 0.07 0.41 0.25 -0.69 0.00 0.00 0.00 175.10 175.13 2eal s VAL 73 N 0.69 5.32 -0.07 2.92 1.01 -0.00 -0.99 120.40 129.27 2eal s VAL 73 Ca -0.13 0.46 0.05 0.00 0.00 0.00 0.00 61.98 62.36 2eal s VAL 73 Cb -0.16 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2eal s VAL 73 CO 0.03 0.52 -0.22 0.00 0.00 0.00 0.00 175.10 175.43 2eal s ASN 75 N -0.04 -0.10 -0.02 0.00 3.84 -0.72 -1.07 114.94 116.83 2eal s ASN 75 Ca -0.07 -0.89 0.03 0.00 0.21 0.00 0.00 52.86 52.14 2eal s ASN 75 Cb -0.15 0.78 -0.00 0.00 -0.55 0.00 0.00 41.25 41.33 2eal s ASN 75 CO 0.05 -1.50 -0.11 -0.89 -2.79 0.00 0.00 177.10 171.86 2eal s THR 76 N -3.16 0.92 -0.13 -5.21 2.01 -1.26 -0.41 115.64 108.39 2eal s THR 76 Ca 0.14 -0.45 -0.00 0.00 0.31 0.00 0.00 61.69 61.69 2eal s THR 76 Cb -0.05 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 2eal s THR 76 CO 0.09 0.28 -0.12 -0.60 -0.69 0.00 0.00 174.62 173.58 2eal s ARG 77 N 0.07 3.37 -0.13 4.92 3.52 0.18 -1.31 118.95 129.56 2eal s ARG 77 Ca -0.02 -0.66 -0.00 0.00 -0.13 0.00 0.00 55.73 54.92 2eal s ARG 77 Cb -0.08 -2.66 0.03 0.00 -1.56 0.00 0.00 34.95 30.68 2eal s ARG 77 CO 0.01 0.25 -0.07 -0.65 -0.81 0.00 0.00 175.30 174.03 2eal s GLN 78 N 0.26 1.49 -1.66 5.12 -0.21 0.37 -0.32 119.66 124.71 2eal s GLN 78 Ca -0.08 -0.33 -0.17 0.00 0.02 0.00 0.00 55.36 54.81 2eal s GLN 78 Cb -0.15 -1.70 0.14 0.00 1.00 0.00 0.00 33.01 32.29 2eal s GLN 78 CO 0.05 -0.32 0.79 0.09 -2.12 0.00 0.00 175.29 173.78 2eal n ASN 79 N 4.93 -3.28 0.00 5.90 4.13 -0.91 -1.19 115.26 124.83 2eal n ASN 79 Ca -0.12 -0.98 0.00 0.00 1.68 0.00 0.00 54.58 55.16 2eal n ASN 79 Cb 0.49 -2.92 0.00 0.00 -1.54 0.00 0.00 39.78 35.81 2eal n ASN 79 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2eal n GLY 80 N -1.48 1.68 3.65 7.41 0.00 0.39 -5.02 105.19 111.81 2eal n GLY 80 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2eal n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eal s SER 81 N -3.16 6.10 0.32 1.61 0.15 -0.33 -5.06 113.70 113.33 2eal s SER 81 Ca 0.00 0.10 -0.27 0.00 0.70 0.00 0.00 55.95 56.48 2eal s SER 81 Cb 0.00 -2.11 -0.10 0.00 -1.71 0.00 0.00 66.02 62.10 2eal s SER 81 CO 0.00 0.04 0.99 0.26 1.20 0.00 0.00 173.24 175.73 2eal s TRP 82 N 1.20 3.63 0.00 3.44 0.52 -1.26 -0.48 118.94 125.99 2eal s TRP 82 Ca 0.08 1.76 0.00 0.00 0.02 0.00 0.00 56.10 57.96 2eal s TRP 82 Cb -0.14 -3.02 0.00 0.00 -1.15 0.00 0.00 33.47 29.16 2eal s TRP 82 CO 0.06 -0.04 0.00 0.41 0.02 0.00 0.00 176.95 177.40 2eal n GLY 83 N 0.73 -0.13 3.72 0.98 0.00 -0.43 -4.96 105.19 105.11 2eal n GLY 83 Ca 0.02 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 2eal n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eal s PRO 84 N -1.04 4.49 0.42 1.61 0.04 -1.26 -4.89 135.00 134.37 2eal s PRO 84 Ca 0.00 1.74 -0.23 0.00 0.04 0.00 0.00 61.00 62.55 2eal s PRO 84 Cb 0.00 -3.32 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 2eal s PRO 84 CO 0.00 -0.13 1.05 -1.21 0.04 0.00 0.00 177.00 176.75 2eal s GLU 85 N 0.48 4.08 -0.15 4.56 2.02 -1.26 -4.80 118.70 123.63 2eal s GLU 85 Ca 0.55 1.48 -0.06 0.00 0.02 0.00 0.00 54.97 56.96 2eal s GLU 85 Cb -0.29 -2.44 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 2eal s GLU 85 CO 0.32 -0.21 0.04 -1.21 0.02 0.00 0.00 175.26 174.22 2eal s GLU 86 N -2.66 3.69 -0.03 1.61 2.02 -0.23 -4.97 118.70 118.12 2eal s GLU 86 Ca 0.60 -0.37 0.07 0.00 0.02 0.00 0.00 54.97 55.29 2eal s GLU 86 Cb -0.21 -3.08 -0.02 0.00 0.10 0.00 0.00 34.13 30.92 2eal s GLU 86 CO 0.26 0.40 -0.25 1.03 0.02 0.00 0.00 175.26 176.72 2eal s ARG 87 N -0.00 2.29 -0.15 1.61 0.52 -1.26 -0.12 118.95 121.83 2eal s ARG 87 Ca 0.05 -0.90 -0.01 0.00 -0.52 0.00 0.00 55.73 54.34 2eal s ARG 87 Cb -0.12 -2.11 -0.01 0.00 0.52 0.00 0.00 34.95 33.22 2eal s ARG 87 CO 0.01 0.51 -0.11 0.21 0.02 0.00 0.00 175.30 175.94 2eal s LYS 88 N -0.47 3.39 -0.42 3.54 2.20 -0.17 -4.97 119.74 122.84 2eal s LYS 88 Ca 0.06 -0.66 0.01 0.00 -0.36 0.00 0.00 55.97 55.01 2eal s LYS 88 Cb -0.11 -2.74 0.41 0.00 -1.51 0.00 0.00 37.83 33.88 2eal s LYS 88 CO 0.01 0.11 1.87 0.25 -0.36 0.00 0.00 175.35 177.23 2eal n THR 89 N 3.85 2.96 -4.72 3.43 -2.24 -1.26 -0.85 114.28 115.46 2eal n THR 89 Ca -0.18 -1.91 -0.24 0.00 -2.27 0.00 0.00 64.05 59.45 2eal n THR 89 Cb 0.52 -0.96 -0.16 0.00 -2.10 0.00 0.00 70.33 67.64 2eal n THR 89 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2eal s HIS 90 N -2.67 1.45 -0.35 4.78 5.04 -1.26 -4.88 115.29 117.40 2eal s HIS 90 Ca 0.46 -0.35 -0.05 0.00 -1.54 0.00 0.00 55.06 53.57 2eal s HIS 90 Cb 0.37 -0.97 0.05 0.00 0.04 0.00 0.00 32.58 32.07 2eal s HIS 90 CO 0.03 -0.10 0.11 1.41 -2.34 0.00 0.00 174.74 173.86 2eal s MET 91 N -0.10 2.51 0.00 2.88 1.75 -1.26 -4.42 119.30 120.66 2eal s MET 91 Ca 0.00 -1.30 0.29 0.00 -1.25 0.00 0.00 55.69 53.44 2eal s MET 91 Cb -0.09 -3.45 1.30 0.00 2.84 0.00 0.00 34.83 35.44 2eal s MET 91 CO 0.01 -0.73 1.89 -0.35 -0.65 0.00 0.00 175.02 175.19 2eal n PRO 92 N 4.76 1.29 -3.91 4.11 -0.04 -1.26 -4.89 135.00 135.05 2eal n PRO 92 Ca -0.11 -0.56 -0.21 0.00 -0.04 0.00 0.00 63.50 62.57 2eal n PRO 92 Cb 0.44 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 2eal n PRO 92 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2eal s PHE 93 N -2.10 2.94 -0.04 0.54 0.08 -1.26 -5.02 117.98 113.12 2eal s PHE 93 Ca 0.39 -0.26 -0.02 0.00 0.12 0.00 0.00 56.93 57.16 2eal s PHE 93 Cb 0.21 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 41.01 2eal s PHE 93 CO 0.38 0.28 0.08 -1.14 -0.10 0.00 0.00 175.22 174.72 2eal s GLN 94 N -3.94 0.04 0.27 0.44 0.74 -1.26 -5.11 119.66 110.84 2eal s GLN 94 Ca 0.39 0.22 -0.30 0.00 0.05 0.00 0.00 55.36 55.71 2eal s GLN 94 Cb -0.06 -0.14 -0.13 0.00 1.10 0.00 0.00 33.01 33.78 2eal s GLN 94 CO 0.26 -0.12 1.43 1.63 -0.55 0.00 0.00 175.29 177.94 2eal n LYS 95 N 3.85 2.23 -0.27 1.67 5.02 -1.26 -1.68 118.16 127.72 2eal n LYS 95 Ca -0.23 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 2eal n LYS 95 Cb 0.53 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 2eal n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2eal n GLY 96 N 1.86 2.15 3.76 0.72 0.00 0.35 -4.87 105.19 109.16 2eal n GLY 96 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 2eal n GLY 96 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2eal s MET 97 N -0.11 2.92 0.63 1.61 -1.94 -0.68 -4.80 119.30 116.94 2eal s MET 97 Ca 0.00 -0.60 -0.16 0.00 -1.71 0.00 0.00 55.69 53.22 2eal s MET 97 Cb 0.00 -2.76 -0.01 0.00 2.01 0.00 0.00 34.83 34.07 2eal s MET 97 CO 0.00 0.61 1.11 -1.25 -0.01 0.00 0.00 175.02 175.48 2eal s PRO 98 N -1.99 2.92 0.04 2.03 0.04 -1.26 -1.81 135.00 134.97 2eal s PRO 98 Ca 0.25 1.44 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 2eal s PRO 98 Cb -0.12 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2eal s PRO 98 CO 0.17 -1.16 0.01 -0.59 0.04 0.00 0.00 177.00 175.46 2eal s PHE 99 N -2.21 0.37 -0.20 0.56 -0.12 0.16 -4.91 117.98 111.63 2eal s PHE 99 Ca 0.68 -0.79 0.01 0.00 -0.05 0.00 0.00 56.93 56.79 2eal s PHE 99 Cb -0.21 -0.27 0.03 0.00 -0.63 0.00 0.00 43.02 41.94 2eal s PHE 99 CO 0.38 -0.34 -0.15 0.34 -0.05 0.00 0.00 175.22 175.40 2eal s ASP 100 N -2.38 3.39 -0.17 1.98 -1.08 -1.26 -2.08 116.67 115.06 2eal s ASP 100 Ca -0.01 -0.83 -0.03 0.00 -0.52 0.00 0.00 52.55 51.16 2eal s ASP 100 Cb 0.01 -1.40 -0.02 0.00 -1.46 0.00 0.00 42.92 40.05 2eal s ASP 100 CO -0.07 -0.08 -0.05 -0.22 0.52 0.00 0.00 175.17 175.28 2eal s LEU 101 N 1.30 3.10 -0.12 -1.34 2.96 0.15 -0.01 118.68 124.73 2eal s LEU 101 Ca 0.01 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 2eal s LEU 101 Cb -0.15 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.81 2eal s LEU 101 CO -0.10 0.12 -0.10 0.00 -1.32 0.00 0.00 176.35 174.94 2eal s PHE 103 N 1.53 3.23 -0.20 0.00 0.08 0.31 -0.68 117.98 122.25 2eal s PHE 103 Ca 0.03 0.04 -0.05 0.00 0.12 0.00 0.00 56.93 57.07 2eal s PHE 103 Cb -0.13 -2.27 -0.03 0.00 -0.57 0.00 0.00 43.02 40.02 2eal s PHE 103 CO -0.08 -0.08 0.01 -1.17 -0.10 0.00 0.00 175.22 173.80 2eal s LEU 104 N 1.29 3.33 -0.12 -0.37 2.96 0.31 -0.90 118.68 125.19 2eal s LEU 104 Ca 0.06 -0.16 -0.26 0.00 -0.22 0.00 0.00 54.13 53.56 2eal s LEU 104 Cb -0.14 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 2eal s LEU 104 CO 0.06 0.08 0.82 -0.69 -1.32 0.00 0.00 176.35 175.30 2eal s VAL 105 N 0.90 4.92 0.34 1.68 1.01 -0.22 -1.13 120.40 127.89 2eal s VAL 105 Ca 0.01 1.65 0.04 0.00 0.00 0.00 0.00 61.98 63.69 2eal s VAL 105 Cb -0.14 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.03 2eal s VAL 105 CO 0.02 0.11 0.05 -1.10 0.00 0.00 0.00 175.10 174.18 2eal s GLN 106 N 1.62 1.71 0.19 2.72 -0.21 -0.04 -0.52 119.66 125.12 2eal s GLN 106 Ca 0.40 -1.95 -0.16 0.00 0.02 0.00 0.00 55.36 53.67 2eal s GLN 106 Cb -0.18 -0.99 0.16 0.00 1.00 0.00 0.00 33.01 33.00 2eal s GLN 106 CO 0.16 -0.17 1.63 0.77 -2.12 0.00 0.00 175.29 175.57 2eal h SER 107 N 2.05 -0.62 0.39 5.90 0.02 -1.98 -3.16 113.55 116.16 2eal h SER 107 Ca -0.41 0.17 -0.15 0.00 -0.84 0.00 0.00 61.79 60.56 2eal h SER 107 Cb 1.24 0.37 -0.03 0.00 0.14 0.00 0.00 62.40 64.13 2eal h SER 107 CO 0.71 -0.21 -1.74 -1.54 -1.14 0.00 0.00 176.83 172.92 2eal n SER 108 N -5.39 0.44 -3.56 3.07 3.41 -1.26 -4.91 113.62 105.41 2eal n SER 108 Ca 0.05 0.19 -0.10 0.00 -0.26 0.00 0.00 58.87 58.75 2eal n SER 108 Cb 0.30 0.88 -0.03 0.00 -0.26 0.00 0.00 64.21 65.10 2eal n SER 108 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2eal s ASP 109 N -5.32 0.12 -0.14 4.04 -4.77 -1.19 -2.17 116.67 107.23 2eal s ASP 109 Ca -0.06 -1.04 -0.14 0.00 -3.30 0.00 0.00 52.55 48.01 2eal s ASP 109 Cb 0.10 0.69 -0.05 0.00 -1.09 0.00 0.00 42.92 42.57 2eal s ASP 109 CO 0.84 -1.34 0.32 -0.36 0.70 0.00 0.00 175.17 175.33 2eal s PHE 110 N -3.39 3.49 -0.22 2.11 0.08 0.03 -0.86 117.98 119.22 2eal s PHE 110 Ca 0.20 0.66 -0.09 0.00 0.12 0.00 0.00 56.93 57.83 2eal s PHE 110 Cb -0.03 -2.36 -0.05 0.00 -0.57 0.00 0.00 43.02 40.02 2eal s PHE 110 CO 0.12 0.27 0.12 0.15 -0.10 0.00 0.00 175.22 175.77 2eal s LYS 111 N 0.35 4.03 -0.23 0.44 1.02 -0.28 -1.02 119.74 124.05 2eal s LYS 111 Ca 0.18 -0.30 -0.02 0.00 0.02 0.00 0.00 55.97 55.86 2eal s LYS 111 Cb -0.13 -3.41 0.02 0.00 -0.52 0.00 0.00 37.83 33.78 2eal s LYS 111 CO 0.05 0.14 -0.08 0.08 -0.92 0.00 0.00 175.35 174.62 2eal s VAL 112 N 0.79 2.85 -0.13 3.17 1.01 0.09 -0.53 120.40 127.65 2eal s VAL 112 Ca 0.06 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 2eal s VAL 112 Cb -0.13 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2eal s VAL 112 CO 0.02 0.32 0.10 -0.04 0.00 0.00 0.00 175.10 175.50 2eal s MET 113 N 1.36 3.50 -0.20 2.72 -1.94 0.14 -0.65 119.30 124.23 2eal s MET 113 Ca 0.02 -0.22 0.00 0.00 -1.71 0.00 0.00 55.69 53.79 2eal s MET 113 Cb -0.15 -3.14 0.02 0.00 2.01 0.00 0.00 34.83 33.56 2eal s MET 113 CO -0.06 0.65 -0.16 0.08 -0.01 0.00 0.00 175.02 175.52 2eal s VAL 114 N -0.67 2.31 -1.51 -6.03 1.01 -0.32 -1.05 120.40 114.14 2eal s VAL 114 Ca 0.12 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 2eal s VAL 114 Cb -0.12 -2.03 0.07 0.00 0.00 0.00 0.00 36.38 34.31 2eal s VAL 114 CO 0.02 0.46 1.00 0.59 0.00 0.00 0.00 175.10 177.17 2eal n ASN 115 N 4.63 -4.84 -0.01 3.32 3.02 0.99 -2.09 115.26 120.28 2eal n ASN 115 Ca -0.20 -0.76 -0.00 0.00 -0.03 0.00 0.00 54.58 53.60 2eal n ASN 115 Cb 0.49 -4.01 -0.00 0.00 -0.61 0.00 0.00 39.78 35.65 2eal n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eal n GLY 116 N -1.72 0.45 3.23 7.41 0.00 -1.26 -5.02 105.19 108.27 2eal n GLY 116 Ca 0.03 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2eal n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eal s ILE 117 N -1.90 2.28 -0.07 -0.61 1.09 -0.89 -5.06 121.20 116.03 2eal s ILE 117 Ca 0.00 -0.92 -0.34 0.00 -1.10 0.00 0.00 60.65 58.28 2eal s ILE 117 Cb 0.00 -1.91 -0.12 0.00 -1.06 0.00 0.00 42.46 39.37 2eal s ILE 117 CO 0.00 0.54 1.86 -0.11 -0.10 0.00 0.00 174.94 177.13 2eal n LEU 118 N 3.79 3.41 -0.06 2.97 7.94 -1.26 -1.17 117.00 132.61 2eal n LEU 118 Ca -0.19 0.98 -0.11 0.00 -1.11 0.00 0.00 56.01 55.58 2eal n LEU 118 Cb 0.52 -1.37 -0.05 0.00 0.53 0.00 0.00 43.42 43.06 2eal n LEU 118 CO 0.28 -0.08 -0.89 0.33 -1.11 0.00 0.00 177.39 175.92 2eal n PHE 119 N 6.38 0.00 -3.83 1.96 7.35 0.17 -4.92 117.46 124.57 2eal n PHE 119 Ca 0.22 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.80 2eal n PHE 119 Cb 0.29 -0.42 -0.09 0.00 0.35 0.00 0.00 39.48 39.61 2eal n PHE 119 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2eal s VAL 120 N -2.22 0.09 -0.06 -2.13 0.11 -1.09 -5.03 120.40 110.07 2eal s VAL 120 Ca -0.16 -0.77 0.02 0.00 -2.93 0.00 0.00 61.98 58.14 2eal s VAL 120 Cb 0.05 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 2eal s VAL 120 CO 0.22 -0.42 -0.10 -1.10 -3.33 0.00 0.00 175.10 170.37 2eal s GLN 121 N -2.09 2.68 -0.22 1.54 -0.21 -1.26 -0.73 119.66 119.36 2eal s GLN 121 Ca -0.09 -0.62 -0.01 0.00 0.02 0.00 0.00 55.36 54.67 2eal s GLN 121 Cb -0.03 -2.51 0.06 0.00 1.00 0.00 0.00 33.01 31.53 2eal s GLN 121 CO -0.01 0.62 -0.01 -0.47 -2.12 0.00 0.00 175.29 173.30 2eal s TYR 122 N -0.71 1.83 0.10 0.91 5.04 -0.18 -4.97 117.35 119.37 2eal s TYR 122 Ca 0.11 -1.40 -0.28 0.00 -2.44 0.00 0.00 57.07 53.06 2eal s TYR 122 Cb -0.11 -1.37 -0.06 0.00 0.35 0.00 0.00 41.96 40.77 2eal s TYR 122 CO 0.01 -0.71 0.88 -0.06 -1.34 0.00 0.00 175.55 174.33 2eal s PHE 123 N 1.58 3.80 0.16 4.97 0.08 -1.26 -0.79 117.98 126.52 2eal s PHE 123 Ca -0.03 1.68 -0.33 0.00 0.12 0.00 0.00 56.93 58.37 2eal s PHE 123 Cb -0.18 -2.95 -0.12 0.00 -0.57 0.00 0.00 43.02 39.20 2eal s PHE 123 CO -0.07 0.27 1.70 0.72 -0.10 0.00 0.00 175.22 177.74 2eal n HIS 124 N 2.63 2.53 -0.06 0.36 8.25 -0.92 -4.90 115.22 123.10 2eal n HIS 124 Ca -0.00 0.08 -0.04 0.00 -0.26 0.00 0.00 57.72 57.50 2eal n HIS 124 Cb 0.49 -2.64 -0.14 0.00 1.12 0.00 0.00 29.99 28.83 2eal n HIS 124 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2eal n ARG 125 N 4.26 1.05 -4.40 -0.41 1.74 -1.26 -4.97 116.66 112.68 2eal n ARG 125 Ca 0.17 -0.05 -0.21 0.00 -0.77 0.00 0.00 57.85 56.99 2eal n ARG 125 Cb 0.33 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 30.23 2eal n ARG 125 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2eal s VAL 126 N -2.63 2.04 0.18 1.55 -7.23 -1.26 -5.10 120.40 107.94 2eal s VAL 126 Ca -0.08 -2.29 -0.32 0.00 -1.81 0.00 0.00 61.98 57.48 2eal s VAL 126 Cb 0.07 -2.16 -0.12 0.00 0.56 0.00 0.00 36.38 34.72 2eal s VAL 126 CO 0.71 -0.51 1.70 -2.65 -0.31 0.00 0.00 175.10 174.05 2eal n PRO 127 N -0.49 2.62 0.23 4.82 -0.02 -1.26 -4.86 135.00 136.05 2eal n PRO 127 Ca -0.07 0.95 0.16 0.00 -2.02 0.00 0.00 63.50 62.51 2eal n PRO 127 Cb 0.60 -2.78 0.61 0.00 -0.02 0.00 0.00 33.50 31.92 2eal n PRO 127 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2eal h PHE 128 N 6.78 0.00 0.00 6.00 -0.00 -1.97 -2.90 116.94 124.85 2eal h PHE 128 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.53 2eal h PHE 128 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.17 2eal h PHE 128 CO 0.65 0.00 0.00 0.45 -0.00 0.00 0.00 178.31 179.41 2eal h HIS 129 N 0.00 0.00 0.00 6.09 3.86 -1.89 -2.44 115.15 120.77 2eal h HIS 129 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2eal h HIS 129 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 2eal h HIS 129 CO 0.00 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.33 2eal n ARG 130 N -2.91 0.43 -3.21 2.45 1.74 -1.10 -4.65 116.66 109.42 2eal n ARG 130 Ca 0.00 0.06 -0.39 0.00 -0.77 0.00 0.00 57.85 56.75 2eal n ARG 130 Cb 0.24 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.12 2eal n ARG 130 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2eal s VAL 131 N -2.33 5.09 0.00 1.55 1.01 -0.92 -4.39 120.40 120.42 2eal s VAL 131 Ca 0.23 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.26 2eal s VAL 131 Cb 0.13 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2eal s VAL 131 CO 0.27 0.18 0.30 -0.90 0.00 0.00 0.00 175.10 174.95 2eal n ASP 132 N 4.65 0.61 -3.85 3.32 5.68 -0.80 -2.11 116.55 124.05 2eal n ASP 132 Ca -0.04 -1.00 -0.13 0.00 -0.50 0.00 0.00 54.79 53.13 2eal n ASP 132 Cb 0.50 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.35 2eal n ASP 132 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2eal s THR 133 N -0.00 -0.01 -0.10 2.12 2.01 -0.98 -0.93 115.64 117.74 2eal s THR 133 Ca 0.00 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2eal s THR 133 Cb 0.00 -0.04 -0.02 0.00 0.01 0.00 0.00 72.50 72.45 2eal s THR 133 CO 0.00 0.02 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.34 2eal s ILE 134 N 0.20 3.43 0.08 1.82 2.07 0.13 -1.37 121.20 127.56 2eal s ILE 134 Ca -0.02 -0.56 0.05 0.00 -1.41 0.00 0.00 60.65 58.72 2eal s ILE 134 Cb -0.02 -2.42 -0.03 0.00 0.13 0.00 0.00 42.46 40.11 2eal s ILE 134 CO -0.01 0.56 -0.13 -0.94 -1.91 0.00 0.00 174.94 172.51 2eal s SER 135 N -0.23 1.65 -0.03 4.50 1.04 -0.32 -0.59 113.70 119.72 2eal s SER 135 Ca 0.02 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.79 2eal s SER 135 Cb -0.13 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 65.97 2eal s SER 135 CO 0.03 -0.12 -0.02 -0.69 0.98 0.00 0.00 173.24 173.41 2eal s VAL 136 N -1.58 0.34 0.16 5.02 1.01 0.66 0.47 120.40 126.48 2eal s VAL 136 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 2eal s VAL 136 Cb -0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 2eal s VAL 136 CO 0.02 0.17 0.24 0.54 0.00 0.00 0.00 175.10 176.06 2eal s ASN 137 N 0.77 0.09 0.00 3.32 4.22 -0.45 -0.60 114.94 122.29 2eal s ASN 137 Ca -0.09 -0.96 0.00 0.00 -2.14 0.00 0.00 52.86 49.68 2eal s ASN 137 Cb -0.12 0.41 0.00 0.00 1.28 0.00 0.00 41.25 42.82 2eal s ASN 137 CO -0.01 -0.87 0.00 0.61 -2.04 0.00 0.00 177.10 174.80 2eal n GLY 138 N -0.20 -0.56 2.23 0.45 0.00 -1.26 -1.02 105.19 104.83 2eal n GLY 138 Ca -0.07 -1.88 -0.24 0.00 0.00 0.00 0.00 46.02 43.83 2eal n GLY 138 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eal n SER 139 N 0.00 6.58 -4.14 1.61 7.64 -0.17 -4.83 113.62 120.31 2eal n SER 139 Ca 0.00 -2.74 -0.13 0.00 1.01 0.00 0.00 58.87 57.01 2eal n SER 139 Cb 0.00 -1.40 -0.11 0.00 -1.01 0.00 0.00 64.21 61.69 2eal n SER 139 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2eal s VAL 140 N 0.25 0.75 0.08 0.44 -7.23 -1.26 -1.06 120.40 112.37 2eal s VAL 140 Ca 0.64 -1.53 0.06 0.00 -1.81 0.00 0.00 61.98 59.34 2eal s VAL 140 Cb 0.29 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 2eal s VAL 140 CO -0.07 -0.58 -0.10 0.00 -0.31 0.00 0.00 175.10 174.04 2eal s GLN 141 N -2.67 2.23 -0.10 4.82 -2.07 0.29 -4.75 119.66 117.41 2eal s GLN 141 Ca 0.02 -0.95 0.00 0.00 -1.82 0.00 0.00 55.36 52.61 2eal s GLN 141 Cb -0.03 -2.35 -0.02 0.00 -1.09 0.00 0.00 33.01 29.52 2eal s GLN 141 CO -0.01 0.53 -0.10 -0.51 -1.32 0.00 0.00 175.29 173.88 2eal s LEU 142 N -1.99 2.94 -0.18 2.60 1.43 -1.26 -0.64 118.68 121.58 2eal s LEU 142 Ca 0.20 -0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 52.88 2eal s LEU 142 Cb -0.11 -1.65 -0.22 0.00 0.03 0.00 0.00 46.19 44.24 2eal s LEU 142 CO 0.12 0.26 0.43 0.28 0.23 0.00 0.00 176.35 177.66 2eal h SER 143 N 6.03 0.00 -5.03 2.29 0.02 -0.75 -3.38 113.55 112.73 2eal h SER 143 Ca -0.37 -0.70 -0.05 0.00 -0.84 0.00 0.00 61.79 59.84 2eal h SER 143 Cb 1.19 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.58 2eal h SER 143 CO 0.55 1.30 0.07 -0.72 -1.14 0.00 0.00 176.83 176.88 2eal s TYR 144 N -2.31 -0.41 -0.13 3.45 -0.85 -0.94 0.38 117.35 116.56 2eal s TYR 144 Ca -0.25 0.29 0.02 0.00 -0.52 0.00 0.00 57.07 56.61 2eal s TYR 144 Cb 0.02 0.39 0.02 0.00 0.38 0.00 0.00 41.96 42.77 2eal s TYR 144 CO 0.63 -0.72 -0.17 0.42 -1.52 0.00 0.00 175.55 174.19 2eal s ILE 145 N -3.17 1.65 0.29 -3.49 1.01 0.09 -1.58 121.20 116.00 2eal s ILE 145 Ca -0.01 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 59.96 2eal s ILE 145 Cb -0.00 -1.50 -0.06 0.00 0.01 0.00 0.00 42.46 40.91 2eal s ILE 145 CO -0.08 0.47 0.01 -0.94 0.00 0.00 0.00 174.94 174.40 2eal s SER 146 N 1.08 2.39 -0.02 3.58 1.04 -0.08 -0.49 113.70 121.19 2eal s SER 146 Ca -0.04 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.11 2eal s SER 146 Cb -0.14 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 65.90 2eal s SER 146 CO -0.04 -0.50 0.00 -0.36 0.98 0.00 0.00 173.24 173.32 2eal s PHE 147 N -3.23 0.25 0.00 5.02 0.08 -1.26 -1.09 117.98 117.76 2eal s PHE 147 Ca 0.32 0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.39 2eal s PHE 147 Cb 0.07 -0.33 0.00 0.00 -0.57 0.00 0.00 43.02 42.18 2eal s PHE 147 CO 0.13 -0.10 0.05 1.04 -0.10 0.00 0.00 175.22 176.24