#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yty s SER 2 N 0.00 5.79 0.54 1.61 0.01 -1.26 -5.13 113.70 115.26 2yty s SER 2 Ca 0.00 -0.25 0.06 0.00 1.31 0.00 0.00 55.95 57.07 2yty s SER 2 Cb 0.00 -1.23 0.04 0.00 0.21 0.00 0.00 66.02 65.05 2yty s SER 2 CO 0.00 -0.36 0.47 -0.44 0.41 0.00 0.00 173.24 173.32 2yty s SER 3 N -4.09 4.75 0.00 2.44 0.01 -1.26 -4.80 113.70 110.74 2yty s SER 3 Ca 0.42 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.55 2yty s SER 3 Cb -0.08 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2yty s SER 3 CO 0.29 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.44 2yty n GLY 4 N -1.83 2.06 3.07 3.44 0.00 -1.26 -4.96 105.19 105.71 2yty n GLY 4 Ca 0.02 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 2yty n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yty s SER 5 N 0.00 1.35 -0.04 1.61 0.01 -1.26 -5.14 113.70 110.23 2yty s SER 5 Ca 0.00 -0.26 -0.16 0.00 1.31 0.00 0.00 55.95 56.84 2yty s SER 5 Cb 0.00 -0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.04 2yty s SER 5 CO 0.00 0.11 0.43 -0.55 0.41 0.00 0.00 173.24 173.64 2yty s SER 6 N -0.45 6.77 0.05 2.44 0.15 -1.26 -4.98 113.70 116.41 2yty s SER 6 Ca 0.03 0.91 0.03 0.00 0.70 0.00 0.00 55.95 57.62 2yty s SER 6 Cb -0.05 -2.27 -0.04 0.00 -1.71 0.00 0.00 66.02 61.96 2yty s SER 6 CO -0.00 0.21 0.04 -0.83 1.20 0.00 0.00 173.24 173.86 2yty s GLY 7 N -0.46 1.96 0.36 9.45 0.00 -1.26 -5.09 107.32 112.29 2yty s GLY 7 Ca 0.24 -1.00 -0.28 0.00 0.00 0.00 0.00 44.72 43.68 2yty s GLY 7 CO 0.12 -0.94 1.34 1.09 0.00 0.00 0.00 173.10 174.71 2yty s ARG 8 N -2.09 4.21 0.55 2.90 1.70 -1.26 -5.03 118.95 119.94 2yty s ARG 8 Ca 0.25 2.26 0.03 0.00 -0.47 0.00 0.00 55.73 57.81 2yty s ARG 8 Cb -0.12 -2.97 0.05 0.00 -0.57 0.00 0.00 34.95 31.34 2yty s ARG 8 CO 0.17 -0.33 0.76 -0.48 -1.08 0.00 0.00 175.30 174.35 2yty s LEU 9 N -2.02 3.29 -0.47 -1.89 0.05 -1.26 -5.06 118.68 111.33 2yty s LEU 9 Ca 0.52 -0.26 -0.21 0.00 0.05 0.00 0.00 54.13 54.23 2yty s LEU 9 Cb -0.40 -2.54 0.03 0.00 -2.05 0.00 0.00 46.19 41.23 2yty s LEU 9 CO 0.54 -1.19 0.67 -0.76 -0.55 0.00 0.00 176.35 175.06 2yty s LEU 10 N -4.72 4.58 -0.12 1.48 2.01 -1.26 -4.75 118.68 115.90 2yty s LEU 10 Ca 0.59 -0.49 0.01 0.00 0.01 0.00 0.00 54.13 54.25 2yty s LEU 10 Cb -0.09 -2.67 0.03 0.00 0.01 0.00 0.00 46.19 43.48 2yty s LEU 10 CO 0.38 -0.86 0.73 0.61 1.01 0.00 0.00 176.35 178.21 2yty n GLY 11 N 5.08 -0.79 2.89 -3.19 0.00 -1.26 -5.06 105.19 102.86 2yty n GLY 11 Ca -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 2yty n GLY 11 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2yty n ARG 12 N -0.25 -2.62 -3.56 1.61 3.00 -1.26 -5.02 116.66 108.56 2yty n ARG 12 Ca -0.10 2.22 -0.29 0.00 -0.00 0.00 0.00 57.85 59.68 2yty n ARG 12 Cb 0.56 -4.83 -0.13 0.00 0.00 0.00 0.00 32.46 28.06 2yty n ARG 12 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2yty s ASN 13 N -1.97 3.34 -0.04 6.15 0.01 -1.26 -4.94 114.94 116.22 2yty s ASN 13 Ca 0.14 -2.08 -0.01 0.00 -0.71 0.00 0.00 52.86 50.19 2yty s ASN 13 Cb -0.03 -0.59 -0.02 0.00 0.41 0.00 0.00 41.25 41.01 2yty s ASN 13 CO 0.72 -0.33 -0.05 -1.20 -1.51 0.00 0.00 177.10 174.73 2yty n SER 14 N 4.21 1.92 -0.32 -1.22 7.64 -1.26 -4.71 113.62 119.87 2yty n SER 14 Ca 0.07 0.02 -0.01 0.00 1.01 0.00 0.00 58.87 59.96 2yty n SER 14 Cb 0.38 -0.10 0.12 0.00 -1.01 0.00 0.00 64.21 63.60 2yty n SER 14 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 2yty h ASN 15 N -0.09 0.94 -5.06 6.43 -0.73 -2.04 -3.47 115.58 111.56 2yty h ASN 15 Ca -0.11 -0.00 -0.18 0.00 1.87 0.00 0.00 56.30 57.88 2yty h ASN 15 Cb 1.13 -0.21 0.15 0.00 0.27 0.00 0.00 38.32 39.66 2yty h ASN 15 CO -0.04 0.64 -0.63 -1.20 -0.37 0.00 0.00 177.43 175.82 2yty n SER 16 N -4.54 -6.05 -4.57 1.15 7.64 -1.26 -4.97 113.62 101.01 2yty n SER 16 Ca 0.12 -0.53 -0.41 0.00 1.01 0.00 0.00 58.87 59.05 2yty n SER 16 Cb 0.11 -4.50 -0.08 0.00 -1.01 0.00 0.00 64.21 58.73 2yty n SER 16 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2yty s LYS 17 N -4.02 3.68 -0.10 1.43 2.36 -1.26 -5.05 119.74 116.77 2yty s LYS 17 Ca 0.34 -0.09 0.04 0.00 -2.55 0.00 0.00 55.97 53.71 2yty s LYS 17 Cb -0.04 -3.79 -0.00 0.00 -1.05 0.00 0.00 37.83 32.95 2yty s LYS 17 CO 0.63 -0.61 -0.23 -0.98 1.55 0.00 0.00 175.35 175.70 2yty s ARG 18 N 2.40 3.05 -0.04 4.03 1.04 -1.26 -4.88 118.95 123.30 2yty s ARG 18 Ca 0.19 -0.87 -0.01 0.00 -1.04 0.00 0.00 55.73 54.00 2yty s ARG 18 Cb -0.15 -2.31 0.03 0.00 -2.04 0.00 0.00 34.95 30.47 2yty s ARG 18 CO 0.13 0.19 0.03 -0.51 -0.04 0.00 0.00 175.30 175.10 2yty s LEU 19 N 0.32 0.67 0.33 -1.89 1.43 -1.25 -5.05 118.68 113.24 2yty s LEU 19 Ca -0.18 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2yty s LEU 19 Cb -0.18 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.84 2yty s LEU 19 CO 0.09 -0.18 0.52 -0.76 0.23 0.00 0.00 176.35 176.25 2yty s LEU 20 N 1.59 4.06 0.00 1.79 1.02 -1.26 -2.43 118.68 123.45 2yty s LEU 20 Ca -0.02 0.40 0.00 0.00 0.02 0.00 0.00 54.13 54.53 2yty s LEU 20 Cb -0.13 -3.25 0.00 0.00 0.02 0.00 0.00 46.19 42.83 2yty s LEU 20 CO -0.03 -0.26 0.00 0.61 0.02 0.00 0.00 176.35 176.69 2yty n GLY 21 N -1.70 3.92 2.79 -3.19 0.00 -0.60 -4.82 105.19 101.59 2yty n GLY 21 Ca -0.05 -1.20 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 2yty n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yty s TYR 22 N -2.78 0.26 -0.54 1.61 2.02 -1.15 -3.33 117.35 113.44 2yty s TYR 22 Ca 0.00 0.04 -0.27 0.00 -0.37 0.00 0.00 57.07 56.47 2yty s TYR 22 Cb 0.00 -0.41 -0.09 0.00 -0.40 0.00 0.00 41.96 41.07 2yty s TYR 22 CO 0.00 -0.14 2.44 0.28 -1.57 0.00 0.00 175.55 176.56 2yty n VAL 23 N 4.30 -0.07 0.17 0.71 0.31 -1.19 -0.20 118.33 122.36 2yty n VAL 23 Ca -0.24 -0.71 -0.11 0.00 -0.01 0.00 0.00 64.34 63.27 2yty n VAL 23 Cb 0.50 -2.56 -0.06 0.00 -0.91 0.00 0.00 33.84 30.81 2yty n VAL 23 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yty h ALA 24 N 18.73 -0.49 -3.33 3.52 0.00 -1.69 -3.27 119.26 132.74 2yty h ALA 24 Ca -0.22 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.29 2yty h ALA 24 Cb 1.27 0.19 -0.24 0.00 0.00 0.00 0.00 17.79 19.01 2yty h ALA 24 CO 1.18 -0.51 -0.72 0.99 0.00 0.00 0.00 179.25 180.19 2yty s THR 25 N -3.75 0.18 -0.23 0.00 2.01 -1.25 -4.99 115.64 107.61 2yty s THR 25 Ca -0.11 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.29 2yty s THR 25 Cb 0.01 -0.25 0.06 0.00 0.01 0.00 0.00 72.50 72.33 2yty s THR 25 CO 0.38 -0.27 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.25 2yty s LEU 26 N -0.91 2.30 0.00 4.42 1.43 -1.26 -0.99 118.68 123.67 2yty s LEU 26 Ca -0.08 -1.12 0.05 0.00 -1.03 0.00 0.00 54.13 51.95 2yty s LEU 26 Cb -0.06 -1.06 0.05 0.00 0.03 0.00 0.00 46.19 45.15 2yty s LEU 26 CO -0.00 -0.25 0.45 0.29 0.23 0.00 0.00 176.35 177.06 2yty n LYS 27 N 4.75 0.79 -1.29 1.70 4.76 -0.60 -5.01 118.16 123.26 2yty n LYS 27 Ca -0.11 -1.85 -0.30 0.00 -2.87 0.00 0.00 58.31 53.19 2yty n LYS 27 Cb 0.45 -0.11 0.05 0.00 -1.84 0.00 0.00 35.03 33.58 2yty n LYS 27 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2yty n ASP 28 N -2.54 7.22 0.00 4.39 8.00 -1.26 -4.31 116.55 128.05 2yty n ASP 28 Ca 0.09 -3.53 0.00 0.00 0.71 0.00 0.00 54.79 52.05 2yty n ASP 28 Cb 0.35 -1.04 0.00 0.00 -0.02 0.00 0.00 41.12 40.42 2yty n ASP 28 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2yty n ASN 29 N -0.34 0.00 -4.00 -2.24 4.13 -1.26 -5.15 115.26 106.39 2yty n ASN 29 Ca 0.51 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.69 2yty n ASN 29 Cb 0.57 0.02 -0.09 0.00 -1.54 0.00 0.00 39.78 38.74 2yty n ASN 29 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2yty s PHE 30 N -1.13 0.43 0.42 3.10 -0.12 -1.26 -3.35 117.98 116.06 2yty s PHE 30 Ca 0.00 -0.88 0.04 0.00 -0.05 0.00 0.00 56.93 56.03 2yty s PHE 30 Cb 0.00 -0.25 -0.01 0.00 -0.63 0.00 0.00 43.02 42.13 2yty s PHE 30 CO 0.00 -0.50 0.13 0.41 -0.05 0.00 0.00 175.22 175.21 2yty n GLY 31 N -0.02 3.27 3.14 1.99 0.00 -1.11 -1.56 105.19 110.89 2yty n GLY 31 Ca -0.12 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 43.67 2yty n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2yty s PHE 32 N -3.06 0.76 -0.11 1.61 0.40 -0.16 -3.31 117.98 114.10 2yty s PHE 32 Ca 0.19 -1.05 -0.02 0.00 -0.60 0.00 0.00 56.93 55.45 2yty s PHE 32 Cb 0.01 -0.47 0.04 0.00 0.51 0.00 0.00 43.02 43.10 2yty s PHE 32 CO 0.13 -0.32 0.02 0.42 0.70 0.00 0.00 175.22 176.17 2yty s ILE 33 N -3.83 0.37 -0.19 0.64 1.01 -1.19 -1.86 121.20 116.17 2yty s ILE 33 Ca 0.13 -0.09 -0.23 0.00 0.00 0.00 0.00 60.65 60.46 2yty s ILE 33 Cb 0.07 -0.68 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 2yty s ILE 33 CO -0.05 0.08 0.72 -0.70 0.00 0.00 0.00 174.94 174.99 2yty s GLU 34 N 1.96 4.25 0.57 2.79 2.12 0.72 -2.74 118.70 128.37 2yty s GLU 34 Ca 0.03 0.80 -0.19 0.00 0.36 0.00 0.00 54.97 55.97 2yty s GLU 34 Cb -0.14 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.63 2yty s GLU 34 CO -0.06 -0.28 1.18 0.95 -0.54 0.00 0.00 175.26 176.51 2yty s THR 35 N 2.03 2.82 0.33 -1.70 -4.23 -1.25 -2.93 115.64 110.70 2yty s THR 35 Ca 0.33 0.52 0.04 0.00 -1.18 0.00 0.00 61.69 61.40 2yty s THR 35 Cb -0.16 -3.21 0.30 0.00 1.34 0.00 0.00 72.50 70.76 2yty s THR 35 CO 0.11 -0.10 1.90 0.00 -0.54 0.00 0.00 174.62 175.99 2yty h ALA 36 N 1.09 1.64 0.00 3.99 0.00 -1.96 0.72 119.26 124.75 2yty h ALA 36 Ca -0.50 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 2yty h ALA 36 Cb 1.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2yty h ALA 36 CO 0.56 0.18 -0.22 -0.91 0.00 0.00 0.00 179.25 178.86 2yty h ASN 37 N 0.88 0.00 -4.73 0.00 4.21 -1.99 -3.48 115.58 110.47 2yty h ASN 37 Ca 0.41 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.93 2yty h ASN 37 Cb 0.41 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 37.51 2yty h ASN 37 CO -0.17 0.22 -1.30 1.57 -1.29 0.00 0.00 177.43 176.45 2yty n HIS 38 N -3.44 -3.83 0.00 1.19 -0.00 0.25 -4.99 115.22 104.40 2yty n HIS 38 Ca -0.00 2.15 0.00 0.00 0.46 0.00 0.00 57.72 60.32 2yty n HIS 38 Cb 0.40 -3.62 0.00 0.00 -0.12 0.00 0.00 29.99 26.66 2yty n HIS 38 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2yty n ASP 39 N 1.32 0.00 -4.22 0.26 2.03 -1.26 -5.05 116.55 109.63 2yty n ASP 39 Ca -0.31 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.74 2yty n ASP 39 Cb 0.48 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.73 2yty n ASP 39 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2yty s LYS 40 N -0.87 1.50 0.24 -0.67 2.20 -1.26 -5.11 119.74 115.77 2yty s LYS 40 Ca 0.00 -0.80 0.06 0.00 -0.36 0.00 0.00 55.97 54.86 2yty s LYS 40 Cb 0.00 -1.52 -0.03 0.00 -1.51 0.00 0.00 37.83 34.77 2yty s LYS 40 CO 0.00 0.40 0.29 -1.21 -0.36 0.00 0.00 175.35 174.47 2yty s GLU 41 N -0.77 3.22 0.12 4.03 2.02 -1.26 -3.82 118.70 122.24 2yty s GLU 41 Ca 0.07 -0.88 0.11 0.00 0.02 0.00 0.00 54.97 54.29 2yty s GLU 41 Cb -0.08 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 2yty s GLU 41 CO 0.00 0.42 -0.27 0.42 0.02 0.00 0.00 175.26 175.85 2yty s ILE 42 N -2.04 2.27 -0.18 -1.63 -1.09 -1.11 -4.88 121.20 112.54 2yty s ILE 42 Ca 0.33 -1.73 0.00 0.00 -2.23 0.00 0.00 60.65 57.03 2yty s ILE 42 Cb -0.09 -2.00 0.04 0.00 -1.58 0.00 0.00 42.46 38.84 2yty s ILE 42 CO 0.27 0.11 -0.08 0.12 -1.23 0.00 0.00 174.94 174.12 2yty s PHE 43 N -1.05 2.09 -0.04 3.97 5.36 -1.26 -3.14 117.98 123.92 2yty s PHE 43 Ca 0.14 -1.34 0.03 0.00 -0.96 0.00 0.00 56.93 54.79 2yty s PHE 43 Cb -0.10 -1.50 0.01 0.00 -0.34 0.00 0.00 43.02 41.09 2yty s PHE 43 CO 0.06 -0.68 -0.10 -0.59 -1.46 0.00 0.00 175.22 172.44 2yty s PHE 44 N 1.50 1.15 0.47 10.12 -0.12 -1.21 -2.56 117.98 127.33 2yty s PHE 44 Ca 0.00 -0.34 -0.19 0.00 -0.05 0.00 0.00 56.93 56.36 2yty s PHE 44 Cb -0.15 -0.83 -0.09 0.00 -0.63 0.00 0.00 43.02 41.31 2yty s PHE 44 CO -0.08 -0.16 0.96 -1.58 -0.05 0.00 0.00 175.22 174.31 2yty s HIS 45 N 0.36 3.38 0.29 3.49 5.65 -1.26 -2.76 115.29 124.44 2yty s HIS 45 Ca -0.07 1.53 -0.02 0.00 0.25 0.00 0.00 55.06 56.75 2yty s HIS 45 Cb -0.11 -2.82 0.42 0.00 -1.18 0.00 0.00 32.58 28.89 2yty s HIS 45 CO 0.01 -0.23 1.96 1.88 -0.65 0.00 0.00 174.74 177.72 2yty h TYR 46 N 1.44 1.06 -0.19 3.88 -1.99 -1.93 -1.55 116.97 117.70 2yty h TYR 46 Ca -0.48 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.26 2yty h TYR 46 Cb 1.18 -0.36 -0.01 0.00 2.00 0.00 0.00 36.73 39.54 2yty h TYR 46 CO 0.63 0.67 0.07 0.66 -0.00 0.00 0.00 178.16 180.20 2yty h SER 47 N 1.14 0.22 0.95 3.88 4.64 -1.93 -1.16 113.55 121.30 2yty h SER 47 Ca 0.31 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.51 2yty h SER 47 Cb -0.12 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 2yty h SER 47 CO -0.07 0.21 -0.48 -0.33 -0.87 0.00 0.00 176.83 175.30 2yty h GLU 48 N 0.26 0.00 -6.93 4.77 5.08 -1.67 -3.44 114.58 112.64 2yty h GLU 48 Ca 0.07 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.95 2yty h GLU 48 Cb 0.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.31 2yty h GLU 48 CO -0.01 0.48 0.40 0.12 -1.00 0.00 0.00 179.01 179.00 2yty s PHE 49 N -3.41 3.43 -0.33 4.33 2.19 -0.44 -3.07 117.98 120.67 2yty s PHE 49 Ca 0.01 1.69 0.03 0.00 0.33 0.00 0.00 56.93 58.99 2yty s PHE 49 Cb 0.10 -3.07 0.10 0.00 -1.31 0.00 0.00 43.02 38.84 2yty s PHE 49 CO 0.72 -0.34 0.05 0.45 1.83 0.00 0.00 175.22 177.93 2yty s SER 50 N -1.53 4.66 0.00 6.13 0.15 -0.72 -4.95 113.70 117.44 2yty s SER 50 Ca 0.54 -2.07 0.00 0.00 0.70 0.00 0.00 55.95 55.12 2yty s SER 50 Cb -0.22 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 2yty s SER 50 CO 0.27 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2yty n GLY 51 N 4.33 0.62 3.06 9.45 0.00 -1.26 -4.64 105.19 116.77 2yty n GLY 51 Ca 0.03 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 2yty n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yty n ASP 52 N 1.97 3.53 0.22 1.61 8.00 -1.26 -4.67 116.55 125.95 2yty n ASP 52 Ca 0.00 -2.79 0.08 0.00 0.71 0.00 0.00 54.79 52.79 2yty n ASP 52 Cb 0.00 -1.51 0.51 0.00 -0.02 0.00 0.00 41.12 40.10 2yty n ASP 52 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2yty h VAL 53 N 4.61 0.88 0.00 2.53 3.04 -1.95 -2.49 116.25 122.87 2yty h VAL 53 Ca 0.47 -0.98 -0.15 0.00 -1.01 0.00 0.00 66.70 65.04 2yty h VAL 53 Cb 0.72 1.58 -0.02 0.00 -2.01 0.00 0.00 31.29 31.55 2yty h VAL 53 CO 1.78 0.25 -0.70 -2.24 -1.01 0.00 0.00 177.57 175.65 2yty h ASP 54 N 0.00 0.00 -0.84 3.17 2.03 -2.00 -3.11 116.42 115.67 2yty h ASP 54 Ca -0.00 0.00 -0.43 0.00 -0.73 0.00 0.00 57.03 55.87 2yty h ASP 54 Cb 0.56 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 38.80 2yty h ASP 54 CO 0.03 0.70 0.54 -1.54 -1.03 0.00 0.00 179.24 177.95 2yty n SER 55 N -3.59 3.69 -4.91 4.15 3.41 -0.94 -4.96 113.62 110.46 2yty n SER 55 Ca -0.00 -3.35 -0.27 0.00 -0.26 0.00 0.00 58.87 54.98 2yty n SER 55 Cb 0.71 -0.79 0.02 0.00 -0.26 0.00 0.00 64.21 63.89 2yty n SER 55 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2yty s LEU 56 N -2.80 3.38 0.13 1.04 1.43 -1.18 -5.04 118.68 115.64 2yty s LEU 56 Ca 0.49 0.79 0.04 0.00 -1.03 0.00 0.00 54.13 54.42 2yty s LEU 56 Cb 0.41 -3.67 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 2yty s LEU 56 CO 0.10 -0.89 -0.10 -1.61 0.23 0.00 0.00 176.35 174.08 2yty s GLU 57 N -4.90 0.99 -0.08 1.70 2.02 -1.26 -5.11 118.70 112.06 2yty s GLU 57 Ca 0.52 -1.39 -0.30 0.00 0.02 0.00 0.00 54.97 53.82 2yty s GLU 57 Cb -0.10 -0.55 -0.03 0.00 0.10 0.00 0.00 34.13 33.55 2yty s GLU 57 CO 0.45 0.06 1.19 -0.51 0.02 0.00 0.00 175.26 176.47 2yty s LEU 58 N -3.03 4.25 0.00 1.80 1.43 -1.26 -3.11 118.68 118.76 2yty s LEU 58 Ca 0.14 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 2yty s LEU 58 Cb 0.02 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2yty s LEU 58 CO -0.00 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 176.59 2yty n GLY 59 N 3.38 2.71 3.75 -3.19 0.00 -1.23 -4.96 105.19 105.65 2yty n GLY 59 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2yty n GLY 59 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yty n ASP 60 N 0.00 3.16 -4.74 1.61 8.00 -1.18 -4.61 116.55 118.78 2yty n ASP 60 Ca 0.00 1.10 -0.40 0.00 0.71 0.00 0.00 54.79 56.19 2yty n ASP 60 Cb 0.00 -1.59 -0.05 0.00 -0.02 0.00 0.00 41.12 39.46 2yty n ASP 60 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2yty s MET 61 N -2.50 4.77 -0.01 -1.24 -1.94 -1.26 -3.17 119.30 113.95 2yty s MET 61 Ca 0.63 1.45 0.02 0.00 -1.71 0.00 0.00 55.69 56.07 2yty s MET 61 Cb -0.45 -3.32 -0.00 0.00 2.01 0.00 0.00 34.83 33.07 2yty s MET 61 CO 0.56 0.39 -0.07 0.14 -0.01 0.00 0.00 175.02 176.04 2yty s VAL 62 N -0.67 0.54 -0.17 -6.03 -7.23 -1.21 -3.19 120.40 102.44 2yty s VAL 62 Ca 0.43 -0.28 -0.09 0.00 -1.81 0.00 0.00 61.98 60.24 2yty s VAL 62 Cb -0.25 -0.47 -0.05 0.00 0.56 0.00 0.00 36.38 36.18 2yty s VAL 62 CO 0.31 0.16 0.12 -0.70 -0.31 0.00 0.00 175.10 174.68 2yty s GLU 63 N -0.05 3.91 0.35 4.82 2.12 -0.47 -1.55 118.70 127.82 2yty s GLU 63 Ca 0.01 -0.21 -0.02 0.00 0.36 0.00 0.00 54.97 55.11 2yty s GLU 63 Cb -0.04 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 31.04 2yty s GLU 63 CO -0.00 0.45 0.48 1.52 -0.54 0.00 0.00 175.26 177.16 2yty s TYR 64 N -0.08 1.09 0.15 5.30 1.13 -1.02 -1.87 117.35 122.06 2yty s TYR 64 Ca 0.10 -1.31 0.03 0.00 -1.41 0.00 0.00 57.07 54.47 2yty s TYR 64 Cb -0.11 -0.10 -0.05 0.00 -1.10 0.00 0.00 41.96 40.60 2yty s TYR 64 CO 0.00 -1.14 -0.05 -1.12 -2.51 0.00 0.00 175.55 170.73 2yty s SER 65 N -3.25 1.45 -0.08 -0.18 0.01 -1.22 -3.87 113.70 106.56 2yty s SER 65 Ca 0.31 -1.09 0.03 0.00 1.31 0.00 0.00 55.95 56.51 2yty s SER 65 Cb -0.00 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.29 2yty s SER 65 CO 0.21 -0.47 -0.19 -0.76 0.41 0.00 0.00 173.24 172.44 2yty s LEU 66 N -3.16 1.90 -0.50 2.44 1.43 -1.26 -2.70 118.68 116.82 2yty s LEU 66 Ca 0.19 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 2yty s LEU 66 Cb 0.05 -1.14 0.40 0.00 0.03 0.00 0.00 46.19 45.53 2yty s LEU 66 CO 0.01 0.11 1.17 -1.54 0.23 0.00 0.00 176.35 176.34 2yty n SER 67 N 3.58 4.96 0.16 2.29 3.41 -1.26 -4.74 113.62 122.01 2yty n SER 67 Ca -0.20 -3.73 0.00 0.00 -0.26 0.00 0.00 58.87 54.68 2yty n SER 67 Cb 0.52 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2yty n SER 67 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2yty n LYS 68 N -0.45 0.00 0.00 4.33 0.00 -1.26 -5.09 118.16 115.69 2yty n LYS 68 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.70 2yty n LYS 68 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.61 2yty n LYS 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2yty n GLY 69 N -0.08 2.31 3.05 3.14 0.00 -1.26 -4.92 105.19 107.44 2yty n GLY 69 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 2yty n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yty s LYS 70 N 0.00 0.48 0.15 1.61 1.02 -1.26 -5.16 119.74 116.58 2yty s LYS 70 Ca 0.00 0.79 -0.18 0.00 0.02 0.00 0.00 55.97 56.60 2yty s LYS 70 Cb 0.00 0.13 0.04 0.00 -0.52 0.00 0.00 37.83 37.47 2yty s LYS 70 CO 0.00 -0.66 0.47 0.20 -0.92 0.00 0.00 175.35 174.44 2yty s GLY 71 N 2.73 -0.28 0.23 -3.33 0.00 -1.26 -5.04 107.32 100.37 2yty s GLY 71 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 44.72 44.82 2yty s GLY 71 CO -0.19 -0.22 1.75 -0.57 0.00 0.00 0.00 173.10 173.86 2yty h ASN 72 N 2.26 0.33 -3.67 1.64 -0.00 -2.04 -3.35 115.58 110.75 2yty h ASN 72 Ca -0.33 0.09 -0.64 0.00 -0.00 0.00 0.00 56.30 55.42 2yty h ASN 72 Cb 1.27 0.05 -0.39 0.00 -0.00 0.00 0.00 38.32 39.25 2yty h ASN 72 CO 0.43 0.16 -0.76 -0.54 -0.00 0.00 0.00 177.43 176.72 2yty s LYS 73 N -6.04 1.64 -0.13 6.67 -0.14 -1.26 -5.10 119.74 115.38 2yty s LYS 73 Ca -0.13 -1.43 0.03 0.00 -1.36 0.00 0.00 55.97 53.08 2yty s LYS 73 Cb 0.19 -2.84 0.00 0.00 -1.68 0.00 0.00 37.83 33.51 2yty s LYS 73 CO 0.76 -0.76 -0.21 0.08 -0.76 0.00 0.00 175.35 174.46 2yty s VAL 74 N 1.15 2.21 0.46 3.17 1.01 -1.26 -5.13 120.40 122.01 2yty s VAL 74 Ca 0.01 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.10 2yty s VAL 74 Cb -0.19 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2yty s VAL 74 CO -0.09 0.55 0.12 -0.94 0.00 0.00 0.00 175.10 174.74 2yty s SER 75 N 0.62 4.24 0.34 3.32 1.04 -1.26 -4.27 113.70 117.73 2yty s SER 75 Ca -0.11 -1.33 0.07 0.00 0.48 0.00 0.00 55.95 55.05 2yty s SER 75 Cb -0.16 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 65.89 2yty s SER 75 CO 0.03 -0.69 0.48 0.00 0.98 0.00 0.00 173.24 174.04 2yty s ALA 76 N -2.73 4.26 -0.01 5.32 0.00 -1.06 -4.61 121.76 122.93 2yty s ALA 76 Ca 0.29 -1.49 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 2yty s ALA 76 Cb 0.04 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.51 2yty s ALA 76 CO 0.16 -0.06 0.03 -1.83 0.00 0.00 0.00 175.76 174.06 2yty s GLU 77 N -4.19 0.01 -0.54 0.00 -1.05 -1.10 -4.77 118.70 107.06 2yty s GLU 77 Ca 0.46 0.08 -0.17 0.00 -0.15 0.00 0.00 54.97 55.19 2yty s GLU 77 Cb -0.09 -0.06 0.02 0.00 -0.44 0.00 0.00 34.13 33.56 2yty s GLU 77 CO 0.31 -0.05 0.64 1.63 0.95 0.00 0.00 175.26 178.74 2yty n LYS 78 N 3.38 -1.96 -3.57 -4.83 5.02 -1.26 -3.45 118.16 111.50 2yty n LYS 78 Ca -0.16 1.67 -0.33 0.00 -2.02 0.00 0.00 58.31 57.47 2yty n LYS 78 Cb 0.57 -4.43 -0.05 0.00 -0.02 0.00 0.00 35.03 31.10 2yty n LYS 78 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2yty s VAL 79 N -2.46 5.07 -0.28 -0.18 1.01 -1.18 -4.50 120.40 117.89 2yty s VAL 79 Ca 0.20 0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.29 2yty s VAL 79 Cb -0.04 -3.63 0.10 0.00 0.00 0.00 0.00 36.38 32.81 2yty s VAL 79 CO 0.81 0.09 0.82 0.54 0.00 0.00 0.00 175.10 177.36 2yty s ASN 80 N -2.18 -0.72 0.94 3.32 4.22 -0.78 -1.76 114.94 117.98 2yty s ASN 80 Ca 0.40 1.23 -0.13 0.00 -2.14 0.00 0.00 52.86 52.23 2yty s ASN 80 Cb -0.13 1.28 0.04 0.00 1.28 0.00 0.00 41.25 43.73 2yty s ASN 80 CO 0.22 -0.20 0.48 0.29 -2.04 0.00 0.00 177.10 175.84 2yty n LYS 81 N 3.43 -0.28 -3.81 3.55 5.02 -1.26 -1.37 118.16 123.44 2yty n LYS 81 Ca -0.17 -0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 55.96 2yty n LYS 81 Cb 0.57 -1.90 -0.13 0.00 -0.02 0.00 0.00 35.03 33.55 2yty n LYS 81 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2yty s THR 82 N -2.39 -0.01 -0.32 -0.18 -1.32 -1.19 -4.63 115.64 105.60 2yty s THR 82 Ca 0.58 0.02 -0.11 0.00 -1.21 0.00 0.00 61.69 60.98 2yty s THR 82 Cb -0.22 -0.23 0.01 0.00 -1.51 0.00 0.00 72.50 70.55 2yty s THR 82 CO 0.66 0.01 0.29 -1.20 -2.21 0.00 0.00 174.62 172.17 2yty n SER 83 N 3.15 -7.46 -3.55 8.08 7.64 -1.26 -4.71 113.62 115.51 2yty n SER 83 Ca -0.14 0.78 -0.01 0.00 1.01 0.00 0.00 58.87 60.50 2yty n SER 83 Cb 0.58 -4.31 0.01 0.00 -1.01 0.00 0.00 64.21 59.48 2yty n SER 83 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yty s GLY 84 N -1.84 -0.02 1.05 0.23 0.00 -1.26 -4.92 107.32 100.55 2yty s GLY 84 Ca 0.13 -0.11 -0.14 0.00 0.00 0.00 0.00 44.72 44.61 2yty s GLY 84 CO 0.67 3.11 1.10 2.56 0.00 0.00 0.00 173.10 180.54 2yty s PRO 85 N -2.21 0.05 0.09 2.90 0.04 -1.26 -5.03 135.00 129.58 2yty s PRO 85 Ca 0.23 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2yty s PRO 85 Cb -0.01 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.82 2yty s PRO 85 CO 0.03 -2.96 0.00 0.43 0.04 0.00 0.00 177.00 174.54 2yty n SER 86 N -4.31 -0.11 -3.65 6.66 7.64 -1.26 -5.13 113.62 113.46 2yty n SER 86 Ca 0.06 0.15 -0.05 0.00 1.01 0.00 0.00 58.87 60.04 2yty n SER 86 Cb 0.58 0.19 -0.06 0.00 -1.01 0.00 0.00 64.21 63.90 2yty n SER 86 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yty s SER 87 N -4.13 -0.95 0.00 6.43 1.04 -1.26 -5.20 113.70 109.63 2yty s SER 87 Ca 0.00 1.46 0.30 0.00 0.48 0.00 0.00 55.95 58.19 2yty s SER 87 Cb 0.00 1.68 1.58 0.00 0.10 0.00 0.00 66.02 69.37 2yty s SER 87 CO 0.00 -0.23 2.04 0.61 0.98 0.00 0.00 173.24 176.64