#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 -1.07 -0.12 1.61 0.01 -1.26 -5.15 113.70 107.72 2yty s SER 2 Ca 0.00 1.25 -0.06 0.00 1.31 0.00 0.00 55.95 58.45 2yty s SER 2 Cb 0.00 2.13 0.05 0.00 0.21 0.00 0.00 66.02 68.41 2yty s SER 2 CO 0.00 -0.20 0.27 -0.94 0.41 0.00 0.00 173.24 172.78 2yty s SER 3 N 2.82 -0.09 0.00 2.44 1.04 -1.26 -4.97 113.70 113.67 2yty s SER 3 Ca 0.00 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2yty s SER 3 Cb -0.11 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2yty s SER 3 CO -0.19 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2yty n GLY 4 N 4.62 0.59 1.38 7.32 0.00 -1.26 -5.15 105.19 112.70 2yty n GLY 4 Ca -0.19 0.08 0.19 0.00 0.00 0.00 0.00 46.02 46.10 2yty n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yty n SER 5 N 0.00 -8.21 -3.61 1.61 7.64 -1.26 -5.00 113.62 104.80 2yty n SER 5 Ca 0.00 0.59 -0.15 0.00 1.01 0.00 0.00 58.87 60.32 2yty n SER 5 Cb 0.00 -4.21 -0.07 0.00 -1.01 0.00 0.00 64.21 58.93 2yty n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yty s SER 6 N -6.95 -0.72 0.00 6.43 0.15 -1.26 -5.18 113.70 106.17 2yty s SER 6 Ca 0.00 1.25 0.00 0.00 0.70 0.00 0.00 55.95 57.90 2yty s SER 6 Cb 0.00 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 2yty s SER 6 CO 0.00 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.71 2yty n GLY 7 N 2.24 5.20 3.46 9.45 0.00 -1.26 -5.09 105.19 119.20 2yty n GLY 7 Ca -0.15 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 2yty n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yty s ARG 8 N -0.17 3.24 -0.01 1.61 0.52 -1.26 -4.84 118.95 118.04 2yty s ARG 8 Ca 0.00 -1.01 -0.04 0.00 -0.52 0.00 0.00 55.73 54.16 2yty s ARG 8 Cb 0.00 -4.43 -0.28 0.00 0.52 0.00 0.00 34.95 30.76 2yty s ARG 8 CO 0.00 -1.85 0.81 1.25 0.02 0.00 0.00 175.30 175.53 2yty h LEU 9 N 11.33 0.41-10.34 2.53 5.85 -2.06 -3.47 115.31 119.57 2yty h LEU 9 Ca -0.17 -0.59 -0.50 0.00 0.84 0.00 0.00 57.88 57.46 2yty h LEU 9 Cb 1.06 -0.13 0.05 0.00 0.37 0.00 0.00 40.66 42.00 2yty h LEU 9 CO 1.19 1.50 0.31 -0.22 -0.34 0.00 0.00 178.44 180.88 2yty s LEU 10 N -7.00 3.37 0.00 2.25 2.96 -1.26 -4.92 118.68 114.08 2yty s LEU 10 Ca -0.10 1.25 0.00 0.00 -0.22 0.00 0.00 54.13 55.06 2yty s LEU 10 Cb 0.07 -4.27 0.00 0.00 0.50 0.00 0.00 46.19 42.49 2yty s LEU 10 CO 0.85 -0.77 0.00 0.61 -1.32 0.00 0.00 176.35 175.72 2yty n GLY 11 N -2.57 0.32 3.32 7.98 0.00 -1.26 -5.00 105.19 107.97 2yty n GLY 11 Ca 0.04 -0.95 -0.46 0.00 0.00 0.00 0.00 46.02 44.64 2yty n GLY 11 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2yty s ARG 12 N -1.13 3.39 -0.47 1.61 6.06 -1.26 -4.98 118.95 122.16 2yty s ARG 12 Ca 0.00 -2.25 0.03 0.00 -2.50 0.00 0.00 55.73 51.02 2yty s ARG 12 Cb 0.00 -4.36 0.12 0.00 0.06 0.00 0.00 34.95 30.77 2yty s ARG 12 CO 0.00 -1.30 0.21 1.21 -2.50 0.00 0.00 175.30 172.93 2yty s ASN 13 N 2.52 4.28 -0.24 -2.12 2.47 -1.26 -5.06 114.94 115.53 2yty s ASN 13 Ca 0.14 -2.74 0.01 0.00 0.42 0.00 0.00 52.86 50.69 2yty s ASN 13 Cb -0.16 -1.51 0.06 0.00 -1.45 0.00 0.00 41.25 38.19 2yty s ASN 13 CO -0.05 -0.27 -0.07 -0.94 -3.72 0.00 0.00 177.10 172.04 2yty s SER 14 N 0.11 3.93 0.13 -4.21 1.04 -1.26 -5.12 113.70 108.31 2yty s SER 14 Ca 0.16 -1.19 0.10 0.00 0.48 0.00 0.00 55.95 55.49 2yty s SER 14 Cb -0.24 -1.26 -0.04 0.00 0.10 0.00 0.00 66.02 64.58 2yty s SER 14 CO -0.02 -0.22 -0.22 0.21 0.98 0.00 0.00 173.24 173.97 2yty s ASN 15 N 1.33 3.64 0.73 7.02 2.47 -1.26 -5.06 114.94 123.82 2yty s ASN 15 Ca -0.06 -0.65 0.00 0.00 0.42 0.00 0.00 52.86 52.57 2yty s ASN 15 Cb -0.19 -0.40 0.00 0.00 -1.45 0.00 0.00 41.25 39.21 2yty s ASN 15 CO -0.06 0.18 0.00 -1.20 -3.72 0.00 0.00 177.10 172.29 2yty n SER 16 N 0.82 -5.41 -4.32 -4.21 7.64 -1.26 -4.79 113.62 102.08 2yty n SER 16 Ca -0.16 0.24 -0.32 0.00 1.01 0.00 0.00 58.87 59.63 2yty n SER 16 Cb 0.53 -0.68 -0.15 0.00 -1.01 0.00 0.00 64.21 62.90 2yty n SER 16 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2yty s LYS 17 N -0.36 2.85 0.15 1.43 -2.85 -1.26 -5.10 119.74 114.58 2yty s LYS 17 Ca 0.00 -0.81 -0.30 0.00 -1.00 0.00 0.00 55.97 53.86 2yty s LYS 17 Cb 0.00 -2.34 -0.08 0.00 -2.06 0.00 0.00 37.83 33.35 2yty s LYS 17 CO 0.00 0.34 1.30 1.03 0.10 0.00 0.00 175.35 178.12 2yty s ARG 18 N -0.04 4.39 0.08 1.78 3.00 -1.26 -4.64 118.95 122.26 2yty s ARG 18 Ca -0.06 1.98 0.06 0.00 0.00 0.00 0.00 55.73 57.71 2yty s ARG 18 Cb -0.15 -3.24 -0.03 0.00 0.00 0.00 0.00 34.95 31.53 2yty s ARG 18 CO 0.05 -0.28 -0.15 -0.51 0.00 0.00 0.00 175.30 174.40 2yty s LEU 19 N 0.45 2.29 0.48 2.53 1.43 -0.88 -5.03 118.68 119.94 2yty s LEU 19 Ca 0.59 -0.64 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 2yty s LEU 19 Cb -0.35 -0.59 0.02 0.00 0.03 0.00 0.00 46.19 45.30 2yty s LEU 19 CO 0.34 -0.05 0.51 -0.76 0.23 0.00 0.00 176.35 176.61 2yty s LEU 20 N -1.81 3.23 0.00 1.79 1.43 -1.26 -1.81 118.68 120.24 2yty s LEU 20 Ca 0.00 -0.82 -0.25 0.00 -1.03 0.00 0.00 54.13 52.04 2yty s LEU 20 Cb -0.10 -1.88 0.08 0.00 0.03 0.00 0.00 46.19 44.33 2yty s LEU 20 CO 0.03 -0.92 1.13 0.61 0.23 0.00 0.00 176.35 177.43 2yty n GLY 21 N -1.80 0.39 2.93 -3.19 0.00 -1.02 -4.75 105.19 97.75 2yty n GLY 21 Ca 0.06 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.14 0.87 -0.38 1.61 2.02 -0.99 -3.07 117.35 115.26 2yty s TYR 22 Ca 0.26 -0.25 -0.31 0.00 -0.37 0.00 0.00 57.07 56.39 2yty s TYR 22 Cb -0.02 -0.71 -0.10 0.00 -0.40 0.00 0.00 41.96 40.74 2yty s TYR 22 CO 0.02 -0.18 2.28 0.28 -1.57 0.00 0.00 175.55 176.37 2yty n VAL 23 N 3.87 0.17 0.11 0.71 0.31 -1.08 -0.61 118.33 121.81 2yty n VAL 23 Ca -0.24 -0.39 -0.24 0.00 -0.01 0.00 0.00 64.34 63.46 2yty n VAL 23 Cb 0.52 -2.01 -0.15 0.00 -0.91 0.00 0.00 33.84 31.28 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 14.36 -0.11 -2.50 3.52 0.00 -1.18 -3.22 119.26 130.14 2yty h ALA 24 Ca -0.29 -0.86 -0.10 0.00 0.00 0.00 0.00 54.91 53.66 2yty h ALA 24 Cb 1.29 0.20 -0.22 0.00 0.00 0.00 0.00 17.79 19.06 2yty h ALA 24 CO 1.05 0.65 -0.15 0.99 0.00 0.00 0.00 179.25 181.80 2yty s THR 25 N -2.55 0.02 -0.33 0.00 2.01 -1.21 -4.97 115.64 108.60 2yty s THR 25 Ca -0.11 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 61.77 2yty s THR 25 Cb 0.03 -0.69 0.10 0.00 0.01 0.00 0.00 72.50 71.96 2yty s THR 25 CO 0.91 -0.08 0.07 -0.76 -0.69 0.00 0.00 174.62 174.07 2yty s LEU 26 N -0.42 3.74 0.00 4.42 1.43 -1.26 -1.35 118.68 125.23 2yty s LEU 26 Ca -0.06 -1.96 -0.01 0.00 -1.03 0.00 0.00 54.13 51.08 2yty s LEU 26 Cb -0.03 -1.32 0.06 0.00 0.03 0.00 0.00 46.19 44.93 2yty s LEU 26 CO 0.03 -0.39 0.41 0.29 0.23 0.00 0.00 176.35 176.92 2yty n LYS 27 N 4.48 0.22 -1.51 1.70 4.76 -0.78 -4.99 118.16 122.04 2yty n LYS 27 Ca 0.02 -1.05 -0.35 0.00 -2.87 0.00 0.00 58.31 54.06 2yty n LYS 27 Cb 0.42 -0.30 0.05 0.00 -1.84 0.00 0.00 35.03 33.36 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 -3.01 7.47 0.00 4.39 9.92 -1.26 -4.36 116.55 129.70 2yty n ASP 28 Ca 0.07 -3.71 0.00 0.00 -0.53 0.00 0.00 54.79 50.62 2yty n ASP 28 Cb 0.23 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 39.68 2yty n ASP 28 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2yty n ASN 29 N -0.56 0.00 -4.12 -2.24 4.13 -1.26 -5.16 115.26 106.05 2yty n ASN 29 Ca 0.56 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.71 2yty n ASN 29 Cb 0.50 0.04 -0.08 0.00 -1.54 0.00 0.00 39.78 38.70 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 -1.28 0.84 0.13 3.10 -0.12 -1.26 -3.23 117.98 116.16 2yty s PHE 30 Ca 0.00 -1.12 0.02 0.00 -0.05 0.00 0.00 56.93 55.78 2yty s PHE 30 Cb 0.00 -0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 2yty s PHE 30 CO 0.00 -0.76 -0.06 0.20 -0.05 0.00 0.00 175.22 174.55 2yty s GLY 31 N -3.10 0.95 0.11 1.99 0.00 -1.12 -1.87 107.32 104.28 2yty s GLY 31 Ca 0.32 -1.44 0.10 0.00 0.00 0.00 0.00 44.72 43.69 2yty s GLY 31 CO 0.10 -1.51 -0.22 -1.36 0.00 0.00 0.00 173.10 170.12 2yty s PHE 32 N -3.57 2.44 -0.10 1.90 0.08 -0.46 -3.31 117.98 114.96 2yty s PHE 32 Ca 0.16 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 56.91 2yty s PHE 32 Cb 0.05 -1.32 0.02 0.00 -0.57 0.00 0.00 43.02 41.19 2yty s PHE 32 CO -0.01 0.34 -0.14 0.42 -0.10 0.00 0.00 175.22 175.72 2yty s ILE 33 N -1.07 1.39 -0.08 0.64 1.01 -1.10 -0.59 121.20 121.40 2yty s ILE 33 Ca 0.16 -0.58 -0.19 0.00 0.00 0.00 0.00 60.65 60.04 2yty s ILE 33 Cb -0.10 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 2yty s ILE 33 CO 0.08 0.42 0.51 -1.61 0.00 0.00 0.00 174.94 174.33 2yty s GLU 34 N 0.98 4.31 0.60 2.79 2.02 0.23 -1.19 118.70 128.44 2yty s GLU 34 Ca -0.07 0.53 -0.14 0.00 0.02 0.00 0.00 54.97 55.31 2yty s GLU 34 Cb -0.15 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 2yty s GLU 34 CO -0.01 0.23 1.03 0.95 0.02 0.00 0.00 175.26 177.48 2yty s THR 35 N 0.36 4.27 0.58 3.63 -4.23 -1.25 -2.35 115.64 116.64 2yty s THR 35 Ca 0.27 0.91 0.28 0.00 -1.18 0.00 0.00 61.69 61.97 2yty s THR 35 Cb -0.16 -3.59 0.36 0.00 1.34 0.00 0.00 72.50 70.45 2yty s THR 35 CO 0.12 -0.80 2.06 0.00 -0.54 0.00 0.00 174.62 175.47 2yty h ALA 36 N 0.09 1.93 0.00 3.99 0.00 -1.96 0.19 119.26 123.50 2yty h ALA 36 Ca -0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 2yty h ALA 36 Cb 1.20 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2yty h ALA 36 CO 0.59 -0.38 -0.75 -0.97 0.00 0.00 0.00 179.25 177.74 2yty h ASN 37 N 0.00 0.00 -4.87 0.00 -0.73 -1.98 -3.49 115.58 104.50 2yty h ASN 37 Ca 0.12 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.29 2yty h ASN 37 Cb 0.61 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.20 2yty h ASN 37 CO -0.00 0.42 -0.72 1.41 -0.37 0.00 0.00 177.43 178.16 2yty n HIS 38 N -3.06 -3.32 0.00 0.67 8.25 0.65 -4.99 115.22 113.42 2yty n HIS 38 Ca -0.01 1.43 0.00 0.00 -0.26 0.00 0.00 57.72 58.88 2yty n HIS 38 Cb 0.72 -3.69 0.00 0.00 1.12 0.00 0.00 29.99 28.14 2yty n HIS 38 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2yty n ASP 39 N 0.31 0.00 -4.04 0.41 2.03 -1.26 -5.02 116.55 108.97 2yty n ASP 39 Ca 0.03 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.14 2yty n ASP 39 Cb 0.13 0.05 -0.15 0.00 -0.72 0.00 0.00 41.12 40.43 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 -1.11 0.95 -0.12 -0.67 2.20 -1.26 -5.10 119.74 114.63 2yty s LYS 40 Ca 0.00 -0.37 -0.08 0.00 -0.36 0.00 0.00 55.97 55.16 2yty s LYS 40 Cb 0.00 -0.90 -0.04 0.00 -1.51 0.00 0.00 37.83 35.38 2yty s LYS 40 CO 0.00 0.20 0.15 -1.83 -0.36 0.00 0.00 175.35 173.50 2yty s GLU 41 N -0.11 3.53 0.30 4.03 1.03 -1.26 -3.87 118.70 122.34 2yty s GLU 41 Ca 0.02 -0.12 -0.18 0.00 0.03 0.00 0.00 54.97 54.71 2yty s GLU 41 Cb -0.06 -3.21 -0.09 0.00 -0.80 0.00 0.00 34.13 29.97 2yty s GLU 41 CO -0.00 0.73 0.78 0.42 -1.33 0.00 0.00 175.26 175.86 2yty s ILE 42 N -0.89 4.56 -0.24 1.83 -1.09 -0.33 -4.83 121.20 120.19 2yty s ILE 42 Ca 0.15 1.22 -0.04 0.00 -2.23 0.00 0.00 60.65 59.75 2yty s ILE 42 Cb -0.12 -3.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.02 2yty s ILE 42 CO 0.04 -0.02 -0.02 0.12 -1.23 0.00 0.00 174.94 173.82 2yty s PHE 43 N -1.80 3.03 -0.03 3.97 5.36 -1.25 -2.70 117.98 124.56 2yty s PHE 43 Ca 0.50 -1.16 0.01 0.00 -0.96 0.00 0.00 56.93 55.33 2yty s PHE 43 Cb -0.13 -2.12 0.01 0.00 -0.34 0.00 0.00 43.02 40.44 2yty s PHE 43 CO 0.19 -0.62 -0.05 -0.59 -1.46 0.00 0.00 175.22 172.69 2yty s PHE 44 N 1.43 0.68 0.38 10.12 -0.71 -1.21 -1.28 117.98 127.38 2yty s PHE 44 Ca 0.03 -0.16 -0.19 0.00 -1.04 0.00 0.00 56.93 55.57 2yty s PHE 44 Cb -0.16 -0.55 -0.10 0.00 -1.21 0.00 0.00 43.02 41.00 2yty s PHE 44 CO -0.03 -0.12 0.86 -1.01 -1.34 0.00 0.00 175.22 173.58 2yty s HIS 45 N 0.53 3.37 0.18 3.49 3.76 -1.26 -2.81 115.29 122.55 2yty s HIS 45 Ca -0.07 1.47 -0.13 0.00 -0.15 0.00 0.00 55.06 56.18 2yty s HIS 45 Cb -0.10 -2.73 0.17 0.00 1.11 0.00 0.00 32.58 31.03 2yty s HIS 45 CO 0.00 0.00 1.73 1.88 -0.85 0.00 0.00 174.74 177.50 2yty h TYR 46 N 2.17 0.21 -0.38 1.40 -1.99 -1.93 -0.00 116.97 116.45 2yty h TYR 46 Ca -0.48 0.03 0.08 0.00 2.00 0.00 0.00 58.73 60.36 2yty h TYR 46 Cb 1.18 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.87 2yty h TYR 46 CO 0.62 0.03 0.27 0.77 -0.00 0.00 0.00 178.16 179.85 2yty h SER 47 N 0.27 0.12 0.87 3.88 0.02 -1.93 0.74 113.55 117.52 2yty h SER 47 Ca 0.24 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.08 2yty h SER 47 Cb 0.29 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2yty h SER 47 CO -0.28 0.08 -0.51 -0.33 -1.14 0.00 0.00 176.83 174.64 2yty h GLU 48 N 0.14 0.00 -6.88 3.45 4.39 -1.40 -3.44 114.58 110.84 2yty h GLU 48 Ca 0.18 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.40 2yty h GLU 48 Cb 0.53 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2yty h GLU 48 CO -0.02 0.51 0.39 0.12 -1.16 0.00 0.00 179.01 178.85 2yty s PHE 49 N -3.45 3.57 -0.30 4.33 2.19 0.25 -2.86 117.98 121.71 2yty s PHE 49 Ca 0.00 1.74 -0.03 0.00 0.33 0.00 0.00 56.93 58.97 2yty s PHE 49 Cb 0.11 -3.06 0.10 0.00 -1.31 0.00 0.00 43.02 38.86 2yty s PHE 49 CO 0.73 -0.17 0.13 -1.12 1.83 0.00 0.00 175.22 176.62 2yty s SER 50 N -1.43 3.57 0.00 6.13 0.01 0.55 -4.93 113.70 117.61 2yty s SER 50 Ca 0.51 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 56.39 2yty s SER 50 Cb -0.23 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.59 2yty s SER 50 CO 0.29 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 174.12 2yty n GLY 51 N 5.14 -0.18 2.67 3.44 0.00 -1.26 -4.24 105.19 110.75 2yty n GLY 51 Ca -0.05 0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -4.34 -0.05 1.61 9.92 -1.26 -4.58 116.55 117.85 2yty n ASP 52 Ca 0.00 1.40 -0.09 0.00 -0.53 0.00 0.00 54.79 55.57 2yty n ASP 52 Cb 0.00 -5.31 -0.15 0.00 -0.64 0.00 0.00 41.12 35.02 2yty n ASP 52 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 2yty n VAL 53 N 1.20 1.51 0.13 2.53 3.14 -1.26 -3.73 118.33 121.86 2yty n VAL 53 Ca -0.21 -0.82 -0.00 0.00 -2.96 0.00 0.00 64.34 60.35 2yty n VAL 53 Cb 0.32 -0.81 0.26 0.00 -1.06 0.00 0.00 33.84 32.55 2yty n VAL 53 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2yty h ASP 54 N 0.00 0.12 1.29 6.55 1.82 -2.00 -2.84 116.42 121.36 2yty h ASP 54 Ca -0.38 -0.05 -0.13 0.00 -0.39 0.00 0.00 57.03 56.08 2yty h ASP 54 Cb 2.09 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 42.05 2yty h ASP 54 CO 0.06 0.55 -0.63 -1.28 -1.61 0.00 0.00 179.24 176.33 2yty h SER 55 N 0.09 0.00 -3.28 2.28 0.87 -1.95 -3.46 113.55 108.11 2yty h SER 55 Ca 0.01 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.99 2yty h SER 55 Cb 0.82 0.00 0.17 0.00 -0.44 0.00 0.00 62.40 62.95 2yty h SER 55 CO 0.06 0.63 -0.11 0.18 -0.53 0.00 0.00 176.83 177.07 2yty n LEU 56 N -3.29 2.36 -3.99 2.23 4.77 -1.07 -5.02 117.00 112.99 2yty n LEU 56 Ca 0.01 0.78 -0.08 0.00 -0.03 0.00 0.00 56.01 56.69 2yty n LEU 56 Cb 0.77 -1.29 -0.08 0.00 -2.33 0.00 0.00 43.42 40.49 2yty n LEU 56 CO 0.42 -2.39 -0.20 -1.83 -1.33 0.00 0.00 177.39 172.07 2yty s GLU 57 N -2.44 0.83 0.15 3.23 -1.05 -1.26 -5.04 118.70 113.11 2yty s GLU 57 Ca 0.72 -1.14 -0.33 0.00 -0.15 0.00 0.00 54.97 54.08 2yty s GLU 57 Cb -0.43 0.29 -0.12 0.00 -0.44 0.00 0.00 34.13 33.42 2yty s GLU 57 CO 0.50 -0.24 1.70 1.28 0.95 0.00 0.00 175.26 179.46 2yty n LEU 58 N -0.03 3.60 0.00 1.83 4.77 -1.26 -1.94 117.00 123.96 2yty n LEU 58 Ca -0.12 1.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 2yty n LEU 58 Cb 0.62 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 2yty n LEU 58 CO 0.26 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2yty n GLY 59 N 3.84 2.38 3.75 -0.72 0.00 -1.22 -5.01 105.19 108.20 2yty n GLY 59 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2yty n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yty s ASP 60 N -0.73 4.95 0.19 1.61 1.01 -0.82 -4.74 116.67 118.14 2yty s ASP 60 Ca 0.00 2.33 -0.08 0.00 0.71 0.00 0.00 52.55 55.51 2yty s ASP 60 Cb 0.00 -2.59 -0.07 0.00 1.01 0.00 0.00 42.92 41.27 2yty s ASP 60 CO 0.00 -1.75 0.48 -0.04 0.21 0.00 0.00 175.17 174.07 2yty s MET 61 N -3.56 3.74 0.09 8.23 -1.94 -1.26 -2.65 119.30 121.95 2yty s MET 61 Ca 0.75 0.14 -0.11 0.00 -1.71 0.00 0.00 55.69 54.77 2yty s MET 61 Cb -0.29 -2.73 0.01 0.00 2.01 0.00 0.00 34.83 33.83 2yty s MET 61 CO 0.37 0.38 0.24 0.14 -0.01 0.00 0.00 175.02 176.13 2yty s VAL 62 N -1.75 0.12 -0.02 -6.03 -7.23 -1.18 -3.37 120.40 100.95 2yty s VAL 62 Ca 0.45 -1.01 0.05 0.00 -1.81 0.00 0.00 61.98 59.66 2yty s VAL 62 Cb -0.12 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 2yty s VAL 62 CO 0.22 -0.56 -0.17 -1.61 -0.31 0.00 0.00 175.10 172.68 2yty s GLU 63 N -3.68 2.31 0.31 4.82 2.02 -0.89 -2.42 118.70 121.17 2yty s GLU 63 Ca 0.03 -0.82 -0.11 0.00 0.02 0.00 0.00 54.97 54.09 2yty s GLU 63 Cb 0.04 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 32.01 2yty s GLU 63 CO -0.10 0.59 0.57 1.52 0.02 0.00 0.00 175.26 177.86 2yty s TYR 64 N -0.78 0.46 0.26 1.61 1.13 -0.75 -2.83 117.35 116.44 2yty s TYR 64 Ca 0.12 -0.87 0.02 0.00 -1.41 0.00 0.00 57.07 54.93 2yty s TYR 64 Cb -0.10 0.31 -0.04 0.00 -1.10 0.00 0.00 41.96 41.02 2yty s TYR 64 CO 0.02 -1.19 0.15 -1.12 -2.51 0.00 0.00 175.55 170.89 2yty s SER 65 N -3.09 0.92 0.02 -0.18 0.01 -1.26 -2.07 113.70 108.06 2yty s SER 65 Ca 0.22 -1.48 0.06 0.00 1.31 0.00 0.00 55.95 56.07 2yty s SER 65 Cb -0.02 0.36 -0.02 0.00 0.21 0.00 0.00 66.02 66.54 2yty s SER 65 CO 0.13 -0.86 -0.19 -0.76 0.41 0.00 0.00 173.24 171.97 2yty s LEU 66 N -3.28 2.12 -0.25 2.44 1.43 -1.26 -3.94 118.68 115.94 2yty s LEU 66 Ca 0.38 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 53.13 2yty s LEU 66 Cb 0.06 -0.92 0.44 0.00 0.03 0.00 0.00 46.19 45.81 2yty s LEU 66 CO 0.16 0.17 1.26 -0.24 0.23 0.00 0.00 176.35 177.93 2yty n SER 67 N 2.14 2.88 -2.78 2.29 2.88 -1.26 -4.87 113.62 114.90 2yty n SER 67 Ca -0.16 -3.85 -0.03 0.00 -1.33 0.00 0.00 58.87 53.50 2yty n SER 67 Cb 0.54 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2yty n SER 67 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2yty n LYS 68 N -1.00 -3.11 -0.59 -1.46 3.00 -1.26 -4.95 118.16 108.79 2yty n LYS 68 Ca 0.29 2.56 -0.30 0.00 -0.00 0.00 0.00 58.31 60.86 2yty n LYS 68 Cb 0.82 -5.34 0.20 0.00 0.00 0.00 0.00 35.03 30.70 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 0.43 -2.51 2.70 3.14 0.00 -1.26 -4.99 105.19 102.70 2yty n GLY 69 Ca 0.03 -0.93 -0.03 0.00 0.00 0.00 0.00 46.02 45.09 2yty n GLY 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yty n LYS 70 N -2.88 1.37 -1.38 1.61 4.81 -1.26 -4.94 118.16 115.49 2yty n LYS 70 Ca 0.02 -1.91 -0.03 0.00 -0.87 0.00 0.00 58.31 55.52 2yty n LYS 70 Cb 0.58 -0.16 0.01 0.00 0.02 0.00 0.00 35.03 35.48 2yty n LYS 70 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2yty n GLY 71 N -1.05 0.37 2.41 3.14 0.00 -1.26 -4.97 105.19 103.83 2yty n GLY 71 Ca -0.08 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 2yty n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yty n ASN 72 N -0.38 -5.54 -3.15 1.61 5.15 -1.26 -4.93 115.26 106.76 2yty n ASN 72 Ca -0.14 0.05 0.04 0.00 -0.60 0.00 0.00 54.58 53.93 2yty n ASN 72 Cb 0.60 -4.64 -0.01 0.00 -0.53 0.00 0.00 39.78 35.20 2yty n ASN 72 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2yty s LYS 73 N -4.96 0.51 -0.25 1.20 1.02 -1.26 -5.14 119.74 110.86 2yty s LYS 73 Ca 0.00 0.88 -0.16 0.00 0.02 0.00 0.00 55.97 56.71 2yty s LYS 73 Cb 0.00 0.48 -0.04 0.00 -0.52 0.00 0.00 37.83 37.76 2yty s LYS 73 CO 0.00 -0.59 0.41 0.08 -0.92 0.00 0.00 175.35 174.33 2yty s VAL 74 N 2.87 5.16 0.39 3.17 1.01 -1.26 -4.56 120.40 127.18 2yty s VAL 74 Ca 0.17 0.67 0.08 0.00 0.00 0.00 0.00 61.98 62.90 2yty s VAL 74 Cb -0.14 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2yty s VAL 74 CO -0.20 0.17 0.33 -0.94 0.00 0.00 0.00 175.10 174.46 2yty s SER 75 N 1.44 5.09 0.49 3.32 1.04 -1.26 -3.88 113.70 119.95 2yty s SER 75 Ca 0.17 -0.67 0.05 0.00 0.48 0.00 0.00 55.95 55.98 2yty s SER 75 Cb -0.15 -0.71 0.03 0.00 0.10 0.00 0.00 66.02 65.28 2yty s SER 75 CO 0.09 -0.53 0.68 0.00 0.98 0.00 0.00 173.24 174.46 2yty s ALA 76 N -2.42 4.23 -0.14 5.32 0.00 -0.40 -4.63 121.76 123.71 2yty s ALA 76 Ca 0.45 -1.53 -0.08 0.00 0.00 0.00 0.00 51.96 50.80 2yty s ALA 76 Cb -0.04 -1.84 0.05 0.00 0.00 0.00 0.00 23.12 21.30 2yty s ALA 76 CO 0.27 -0.54 0.35 -1.83 0.00 0.00 0.00 175.76 174.01 2yty s GLU 77 N -4.57 0.33 -1.12 0.00 -1.05 -1.25 -4.75 118.70 106.29 2yty s GLU 77 Ca 0.57 0.67 -0.03 0.00 -0.15 0.00 0.00 54.97 56.03 2yty s GLU 77 Cb -0.10 -0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.52 2yty s GLU 77 CO 0.36 -0.15 0.95 1.63 0.95 0.00 0.00 175.26 179.00 2yty n LYS 78 N 4.12 -4.25 -2.54 -4.83 5.02 -1.25 -4.32 118.16 110.11 2yty n LYS 78 Ca -0.23 0.86 -0.38 0.00 -2.02 0.00 0.00 58.31 56.54 2yty n LYS 78 Cb 0.55 -5.84 -0.04 0.00 -0.02 0.00 0.00 35.03 29.67 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 -3.38 3.68 -0.11 -0.18 1.01 -1.13 -4.87 120.40 115.42 2yty s VAL 79 Ca 0.25 1.46 -0.09 0.00 0.00 0.00 0.00 61.98 63.59 2yty s VAL 79 Cb -0.03 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.54 2yty s VAL 79 CO 0.74 0.17 0.29 0.54 0.00 0.00 0.00 175.10 176.84 2yty s ASN 80 N -1.29 -0.31 0.74 3.32 4.22 -1.13 -0.33 114.94 120.16 2yty s ASN 80 Ca 0.51 0.60 -0.15 0.00 -2.14 0.00 0.00 52.86 51.68 2yty s ASN 80 Cb -0.26 0.58 0.04 0.00 1.28 0.00 0.00 41.25 42.89 2yty s ASN 80 CO 0.33 -0.12 1.16 0.29 -2.04 0.00 0.00 177.10 176.72 2yty n LYS 81 N 3.21 0.53 -3.49 3.55 5.02 -1.26 -2.09 118.16 123.62 2yty n LYS 81 Ca -0.15 0.25 -0.16 0.00 -2.02 0.00 0.00 58.31 56.22 2yty n LYS 81 Cb 0.57 -2.40 -0.05 0.00 -0.02 0.00 0.00 35.03 33.13 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 -1.83 0.00 -0.29 -0.18 -1.32 -1.22 -4.79 115.64 106.02 2yty s THR 82 Ca 0.76 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 61.27 2yty s THR 82 Cb -0.33 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.73 2yty s THR 82 CO 0.48 0.00 -0.05 -0.55 -2.21 0.00 0.00 174.62 172.29 2yty s SER 83 N -1.63 4.59 1.34 8.08 0.15 -1.26 -4.40 113.70 120.57 2yty s SER 83 Ca -0.07 -1.61 -0.20 0.00 0.70 0.00 0.00 55.95 54.77 2yty s SER 83 Cb -0.00 -1.59 0.33 0.00 -1.71 0.00 0.00 66.02 63.05 2yty s SER 83 CO 0.03 -0.26 0.83 0.61 1.20 0.00 0.00 173.24 175.66 2yty n GLY 84 N 4.40 -3.17 3.57 9.45 0.00 -1.26 -4.84 105.19 113.34 2yty n GLY 84 Ca -0.09 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 2yty n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yty s PRO 85 N -4.63 3.00 0.09 1.61 0.04 -1.26 -4.73 135.00 129.13 2yty s PRO 85 Ca 0.65 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2yty s PRO 85 Cb -0.16 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2yty s PRO 85 CO 0.58 -2.27 0.00 0.43 0.04 0.00 0.00 177.00 175.79 2yty n SER 86 N 11.36 0.41 -3.49 6.66 7.64 -1.26 -5.15 113.62 129.79 2yty n SER 86 Ca 0.21 0.14 -0.09 0.00 1.01 0.00 0.00 58.87 60.14 2yty n SER 86 Cb 0.50 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 2yty n SER 86 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yty s SER 87 N -5.26 -0.41 0.00 6.43 0.15 -1.26 -5.33 113.70 108.02 2yty s SER 87 Ca 0.00 -0.01 0.19 0.00 0.70 0.00 0.00 55.95 56.83 2yty s SER 87 Cb 0.00 0.44 0.15 0.00 -1.71 0.00 0.00 66.02 64.90 2yty s SER 87 CO 0.00 -0.71 1.12 0.61 1.20 0.00 0.00 173.24 175.45