#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yyo n GLY 7 N 0.00 3.43 3.49 0.46 0.00 -1.18 -5.01 105.19 106.38 2yyo n GLY 7 Ca 0.00 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.18 2yyo n GLY 7 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yyo s PHE 8 N -2.00 -0.61 0.01 1.61 -0.71 -1.26 -1.20 117.98 113.82 2yyo s PHE 8 Ca 0.00 1.06 0.03 0.00 -1.04 0.00 0.00 56.93 56.98 2yyo s PHE 8 Cb 0.00 0.37 -0.01 0.00 -1.21 0.00 0.00 43.02 42.17 2yyo s PHE 8 CO 0.00 -0.58 -0.09 0.15 -1.34 0.00 0.00 175.22 173.36 2yyo s LYS 9 N -1.14 0.70 -1.76 1.99 1.02 -0.71 -4.82 119.74 115.02 2yyo s LYS 9 Ca -0.11 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.40 2yyo s LYS 9 Cb -0.01 -0.65 0.00 0.00 -0.52 0.00 0.00 37.83 36.65 2yyo s LYS 9 CO 0.09 0.17 0.00 0.72 -0.92 0.00 0.00 175.35 175.41 2yyo n HIS 10 N 2.39 -0.83 -3.83 3.18 8.25 -1.26 -2.05 115.22 121.07 2yyo n HIS 10 Ca -0.16 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.12 2yyo n HIS 10 Cb 0.56 -3.65 -0.17 0.00 1.12 0.00 0.00 29.99 27.86 2yyo n HIS 10 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2yyo s ILE 11 N -2.89 0.08 -0.08 1.59 1.01 -1.26 -0.45 121.20 119.20 2yyo s ILE 11 Ca 0.00 0.19 -0.19 0.00 0.00 0.00 0.00 60.65 60.65 2yyo s ILE 11 Cb 0.00 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.20 2yyo s ILE 11 CO 0.00 0.15 0.51 -0.76 0.00 0.00 0.00 174.94 174.84 2yyo s LEU 12 N 1.34 4.32 -0.25 2.97 1.43 0.93 -4.88 118.68 124.53 2yyo s LEU 12 Ca -0.05 0.92 -0.02 0.00 -1.03 0.00 0.00 54.13 53.95 2yyo s LEU 12 Cb -0.13 -2.76 0.03 0.00 0.03 0.00 0.00 46.19 43.36 2yyo s LEU 12 CO -0.03 0.04 -0.06 -0.69 0.23 0.00 0.00 176.35 175.84 2yyo s VAL 13 N 0.35 2.90 -0.49 -1.59 1.01 -1.26 -1.12 120.40 120.20 2yyo s VAL 13 Ca 0.28 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.28 2yyo s VAL 13 Cb -0.16 -2.47 0.13 0.00 0.00 0.00 0.00 36.38 33.88 2yyo s VAL 13 CO 0.12 0.20 0.24 -0.62 0.00 0.00 0.00 175.10 175.04 2yyo s ASP 14 N 1.33 4.19 1.41 3.32 -1.08 -0.40 -5.01 116.67 120.42 2yyo s ASP 14 Ca 0.00 -2.88 0.00 0.00 -0.52 0.00 0.00 52.55 49.16 2yyo s ASP 14 Cb -0.17 -1.50 0.00 0.00 -1.46 0.00 0.00 42.92 39.79 2yyo s ASP 14 CO -0.04 -0.25 0.00 0.61 0.52 0.00 0.00 175.17 176.01 2yyo n GLY 15 N 3.27 2.46 0.59 2.66 0.00 -1.26 -2.19 105.19 110.72 2yyo n GLY 15 Ca 0.06 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.89 2yyo n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yyo n ASP 16 N 7.74 1.85 -4.68 1.61 8.00 -1.26 -4.87 116.55 124.94 2yyo n ASP 16 Ca 0.00 -1.60 -0.38 0.00 0.71 0.00 0.00 54.79 53.52 2yyo n ASP 16 Cb 0.00 0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 2yyo n ASP 16 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2yyo s THR 17 N -2.02 5.18 -0.16 -3.53 2.01 -0.93 -0.16 115.64 116.03 2yyo s THR 17 Ca 0.35 0.81 -0.00 0.00 0.31 0.00 0.00 61.69 63.16 2yyo s THR 17 Cb 0.21 -3.77 -0.00 0.00 0.01 0.00 0.00 72.50 68.95 2yyo s THR 17 CO 0.34 0.25 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.62 2yyo s LEU 18 N 1.21 2.51 -0.06 4.42 1.02 0.03 -1.28 118.68 126.53 2yyo s LEU 18 Ca 0.21 -0.46 0.04 0.00 0.02 0.00 0.00 54.13 53.95 2yyo s LEU 18 Cb -0.15 -1.58 -0.00 0.00 0.02 0.00 0.00 46.19 44.48 2yyo s LEU 18 CO 0.09 0.08 -0.19 -0.44 0.02 0.00 0.00 176.35 175.91 2yyo s SER 19 N 0.84 2.41 0.46 2.29 0.01 -0.27 -1.08 113.70 118.36 2yyo s SER 19 Ca -0.05 -0.41 -0.25 0.00 1.31 0.00 0.00 55.95 56.56 2yyo s SER 19 Cb -0.15 -0.81 -0.08 0.00 0.21 0.00 0.00 66.02 65.19 2yyo s SER 19 CO -0.00 0.15 1.43 -0.47 0.41 0.00 0.00 173.24 174.76 2yyo s TYR 20 N 0.15 2.41 -0.45 2.43 5.04 -0.22 -0.05 117.35 126.66 2yyo s TYR 20 Ca -0.08 1.26 0.07 0.00 -2.44 0.00 0.00 57.07 55.88 2yyo s TYR 20 Cb -0.14 -3.93 0.26 0.00 0.35 0.00 0.00 41.96 38.50 2yyo s TYR 20 CO 0.04 -3.01 0.80 1.58 -1.34 0.00 0.00 175.55 173.62 2yyo n HIS 21 N -0.30 -2.22 -4.25 4.97 -0.00 0.40 -4.69 115.22 109.13 2yyo n HIS 21 Ca 0.06 -2.44 -0.14 0.00 -0.00 0.00 0.00 57.72 55.19 2yyo n HIS 21 Cb 0.42 0.90 -0.10 0.00 -0.00 0.00 0.00 29.99 31.21 2yyo n HIS 21 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2yyo s GLY 22 N -1.54 1.48 -0.03 1.57 0.00 -1.26 -4.46 107.32 103.08 2yyo s GLY 22 Ca 0.32 -1.73 0.07 0.00 0.00 0.00 0.00 44.72 43.38 2yyo s GLY 22 CO -0.18 -1.51 -0.23 -1.31 0.00 0.00 0.00 173.10 169.87 2yyo s ASN 23 N -3.22 3.28 0.00 1.64 0.01 -1.26 -4.87 114.94 110.51 2yyo s ASN 23 Ca 0.34 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 2yyo s ASN 23 Cb 0.07 -0.47 0.00 0.00 0.41 0.00 0.00 41.25 41.27 2yyo s ASN 23 CO 0.10 0.32 0.00 -0.24 -1.51 0.00 0.00 177.10 175.77 2yyo n SER 24 N 2.42 -2.83 -0.03 -1.22 2.88 -1.26 -2.93 113.62 110.65 2yyo n SER 24 Ca -0.16 0.32 -0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2yyo n SER 24 Cb 0.51 -0.59 -0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2yyo n SER 24 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yyo n GLY 25 N 1.40 0.23 3.72 0.46 0.00 -1.26 -5.00 105.19 104.74 2yyo n GLY 25 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2yyo n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yyo s GLU 26 N -1.27 4.52 -0.05 1.61 2.02 -1.15 -5.03 118.70 119.36 2yyo s GLU 26 Ca 0.00 1.20 -0.21 0.00 0.02 0.00 0.00 54.97 55.98 2yyo s GLU 26 Cb 0.00 -3.44 -0.05 0.00 0.10 0.00 0.00 34.13 30.74 2yyo s GLU 26 CO 0.00 0.04 0.59 0.08 0.02 0.00 0.00 175.26 175.99 2yyo s VAL 27 N 0.77 5.01 -0.13 2.63 1.01 -1.26 -4.66 120.40 123.77 2yyo s VAL 27 Ca 0.45 1.22 -0.05 0.00 0.00 0.00 0.00 61.98 63.60 2yyo s VAL 27 Cb -0.20 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2yyo s VAL 27 CO 0.24 0.36 0.06 -0.83 0.00 0.00 0.00 175.10 174.94 2yyo s GLY 28 N 0.23 1.97 0.00 4.51 0.00 -1.26 -4.63 107.32 108.14 2yyo s GLY 28 Ca 0.31 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.31 2yyo s GLY 28 CO 0.16 -0.31 -0.04 0.00 0.00 0.00 0.00 173.10 172.91 2yyo s TYR 30 N -0.32 1.22 -0.11 0.00 5.04 0.19 -1.74 117.35 121.64 2yyo s TYR 30 Ca -0.01 -0.42 0.02 0.00 -2.44 0.00 0.00 57.07 54.22 2yyo s TYR 30 Cb -0.03 -0.92 0.01 0.00 0.35 0.00 0.00 41.96 41.37 2yyo s TYR 30 CO -0.00 -0.23 -0.17 0.08 -1.34 0.00 0.00 175.55 173.89 2yyo s VAL 31 N 0.67 1.58 0.84 3.14 1.01 -0.34 -1.28 120.40 126.02 2yyo s VAL 31 Ca -0.13 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 2yyo s VAL 31 Cb -0.15 -1.43 0.10 0.00 0.00 0.00 0.00 36.38 34.91 2yyo s VAL 31 CO 0.03 0.46 1.12 0.00 0.00 0.00 0.00 175.10 176.70 2yyo s ALA 32 N 0.87 1.85 0.08 5.51 0.00 -0.25 -3.10 121.76 126.72 2yyo s ALA 32 Ca -0.09 0.45 -0.15 0.00 0.00 0.00 0.00 51.96 52.17 2yyo s ALA 32 Cb -0.15 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.47 2yyo s ALA 32 CO -0.00 -2.29 1.35 0.77 0.00 0.00 0.00 175.76 175.59 2yyo h SER 33 N -1.50 0.74 -3.56 0.00 0.02 -1.97 -3.39 113.55 103.89 2yyo h SER 33 Ca -0.43 -0.55 -0.67 0.00 -0.84 0.00 0.00 61.79 59.30 2yyo h SER 33 Cb 1.25 -0.21 -0.16 0.00 0.14 0.00 0.00 62.40 63.42 2yyo h SER 33 CO 0.46 1.15 -0.72 -0.13 -1.14 0.00 0.00 176.83 176.45 2yyo s ARG 34 N -4.06 2.33 0.73 3.45 1.81 -1.26 -4.80 118.95 117.14 2yyo s ARG 34 Ca -0.12 -0.90 -0.12 0.00 -1.72 0.00 0.00 55.73 52.88 2yyo s ARG 34 Cb 0.08 -2.40 0.03 0.00 -0.45 0.00 0.00 34.95 32.21 2yyo s ARG 34 CO 0.84 0.54 1.10 -1.25 -0.68 0.00 0.00 175.30 175.86 2yyo s PRO 35 N -1.93 2.67 0.65 3.54 0.04 -1.26 -4.42 135.00 134.29 2yyo s PRO 35 Ca 0.20 0.46 -0.15 0.00 0.04 0.00 0.00 61.00 61.55 2yyo s PRO 35 Cb -0.11 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 2yyo s PRO 35 CO 0.12 -1.17 1.10 -0.51 0.04 0.00 0.00 177.00 176.58 2yyo s LEU 36 N -5.44 3.38 0.39 -3.56 1.43 -0.77 -4.99 118.68 109.12 2yyo s LEU 36 Ca 0.59 1.95 0.04 0.00 -1.03 0.00 0.00 54.13 55.68 2yyo s LEU 36 Cb -0.11 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.53 2yyo s LEU 36 CO 0.52 -1.57 0.12 0.42 0.23 0.00 0.00 176.35 176.07 2yyo s THR 37 N -2.40 0.67 0.21 5.49 -4.23 0.27 -4.24 115.64 111.41 2yyo s THR 37 Ca 0.66 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.07 2yyo s THR 37 Cb -0.19 -2.42 0.14 0.00 1.34 0.00 0.00 72.50 71.37 2yyo s THR 37 CO 0.42 0.00 1.86 0.50 -0.54 0.00 0.00 174.62 176.85 2yyo h LYS 38 N 1.85 0.87 0.32 3.99 3.64 -1.96 -2.23 116.57 123.06 2yyo h LYS 38 Ca -0.36 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.95 2yyo h LYS 38 Cb 1.27 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2yyo h LYS 38 CO 0.58 0.58 -0.16 -0.44 -2.27 0.00 0.00 179.45 177.75 2yyo h ASP 39 N 0.90 -0.37 -2.61 4.20 3.32 -1.98 -3.37 116.42 116.52 2yyo h ASP 39 Ca 0.28 0.01 -0.77 0.00 0.02 0.00 0.00 57.03 56.57 2yyo h ASP 39 Cb -0.03 0.10 -0.22 0.00 0.22 0.00 0.00 39.33 39.40 2yyo h ASP 39 CO -0.09 0.06 1.09 -0.24 -1.72 0.00 0.00 179.24 178.33 2yyo n SER 40 N -4.94 5.41 -1.14 6.45 2.88 -1.21 -4.76 113.62 116.31 2yyo n SER 40 Ca -0.05 -3.05 0.08 0.00 -1.33 0.00 0.00 58.87 54.52 2yyo n SER 40 Cb 0.17 -1.47 0.28 0.00 -0.75 0.00 0.00 64.21 62.44 2yyo n SER 40 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2yyo n ASN 41 N 4.09 4.05 -3.71 -3.46 6.94 -0.84 -0.57 115.26 121.76 2yyo n ASN 41 Ca 0.32 -2.49 -0.14 0.00 -0.02 0.00 0.00 54.58 52.25 2yyo n ASN 41 Cb 0.40 -0.48 -0.09 0.00 -2.36 0.00 0.00 39.78 37.25 2yyo n ASN 41 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2yyo s TYR 42 N -1.91 -0.41 0.05 -2.53 5.04 -1.26 -1.05 117.35 115.28 2yyo s TYR 42 Ca 0.41 0.88 -0.09 0.00 -2.44 0.00 0.00 57.07 55.84 2yyo s TYR 42 Cb 0.28 0.18 -0.00 0.00 0.35 0.00 0.00 41.96 42.76 2yyo s TYR 42 CO 0.18 -0.34 0.18 -0.59 -1.34 0.00 0.00 175.55 173.63 2yyo s PHE 43 N -0.48 0.10 0.11 4.97 -0.12 -0.75 -4.34 117.98 117.48 2yyo s PHE 43 Ca -0.06 -0.37 0.06 0.00 -0.05 0.00 0.00 56.93 56.50 2yyo s PHE 43 Cb -0.03 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 2yyo s PHE 43 CO 0.03 -0.44 -0.14 -1.21 -0.05 0.00 0.00 175.22 173.42 2yyo s GLU 44 N -2.81 0.99 -0.09 1.99 2.02 -0.89 -1.23 118.70 118.67 2yyo s GLU 44 Ca -0.03 -1.20 0.01 0.00 0.02 0.00 0.00 54.97 53.77 2yyo s GLU 44 Cb 0.00 -0.87 0.02 0.00 0.10 0.00 0.00 34.13 33.38 2yyo s GLU 44 CO -0.05 0.17 -0.11 0.08 0.02 0.00 0.00 175.26 175.36 2yyo s VAL 45 N -2.08 1.18 -0.21 2.63 1.01 0.11 -0.09 120.40 122.95 2yyo s VAL 45 Ca 0.08 -0.45 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 2yyo s VAL 45 Cb -0.05 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 2yyo s VAL 45 CO 0.03 0.38 0.14 -0.44 0.00 0.00 0.00 175.10 175.20 2yyo s SER 46 N 1.11 6.17 -0.35 3.32 0.01 -0.33 -0.72 113.70 122.90 2yyo s SER 46 Ca -0.06 0.19 -0.27 0.00 1.31 0.00 0.00 55.95 57.12 2yyo s SER 46 Cb -0.14 -2.09 0.02 0.00 0.21 0.00 0.00 66.02 64.01 2yyo s SER 46 CO -0.02 0.15 1.00 -0.63 0.41 0.00 0.00 173.24 174.15 2yyo s ILE 47 N 0.55 4.54 -0.06 1.44 1.01 -0.32 -0.96 121.20 127.40 2yyo s ILE 47 Ca 0.08 1.44 -0.06 0.00 0.00 0.00 0.00 60.65 62.10 2yyo s ILE 47 Cb -0.12 -4.37 -0.28 0.00 0.01 0.00 0.00 42.46 37.70 2yyo s ILE 47 CO -0.00 -0.52 0.62 0.58 0.00 0.00 0.00 174.94 175.61 2yyo h VAL 48 N 5.79 0.88 -2.53 2.92 2.07 -1.11 0.05 116.25 124.32 2yyo h VAL 48 Ca -0.22 -2.53 -0.09 0.00 0.82 0.00 0.00 66.70 64.67 2yyo h VAL 48 Cb 1.07 2.66 -0.26 0.00 -1.52 0.00 0.00 31.29 33.23 2yyo h VAL 48 CO 1.01 0.84 -0.30 -0.62 0.02 0.00 0.00 177.57 178.51 2yyo s ASP 49 N -7.06 -0.46 0.00 0.57 -1.08 -0.76 -4.58 116.67 103.30 2yyo s ASP 49 Ca -0.16 0.99 0.30 0.00 -0.52 0.00 0.00 52.55 53.16 2yyo s ASP 49 Cb 0.06 1.07 1.42 0.00 -1.46 0.00 0.00 42.92 44.01 2yyo s ASP 49 CO 0.83 -0.21 2.01 -1.54 0.52 0.00 0.00 175.17 176.77 2yyo n SER 50 N 4.71 0.01 0.00 -0.34 3.41 -1.26 -1.12 113.62 119.03 2yyo n SER 50 Ca -0.17 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2yyo n SER 50 Cb 0.53 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2yyo n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yyo n GLY 51 N 1.36 0.46 0.25 5.00 0.00 -1.25 0.11 105.19 111.11 2yyo n GLY 51 Ca 0.12 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 2yyo n GLY 51 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2yyo h VAL 52 N 0.00 1.28 -0.00 1.61 2.07 -1.65 -3.37 116.25 116.19 2yyo h VAL 52 Ca 0.00 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2yyo h VAL 52 Cb 0.00 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2yyo h VAL 52 CO 0.00 0.55 -0.04 0.54 0.02 0.00 0.00 177.57 178.63 2yyo n ARG 53 N -4.02 4.86 -2.53 1.57 1.74 -1.26 -5.01 116.66 112.01 2yyo n ARG 53 Ca -0.03 -0.14 -0.19 0.00 -0.77 0.00 0.00 57.85 56.72 2yyo n ARG 53 Cb 0.59 -0.67 -0.00 0.00 -1.02 0.00 0.00 32.46 31.36 2yyo n ARG 53 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2yyo n GLY 54 N 0.80 -0.50 2.58 -0.13 0.00 0.12 -4.77 105.19 103.28 2yyo n GLY 54 Ca 0.00 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2yyo n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yyo n THR 55 N -3.96 4.70 -3.95 2.61 -2.24 -1.26 -2.26 114.28 107.92 2yyo n THR 55 Ca -0.20 -3.94 -0.35 0.00 -2.27 0.00 0.00 64.05 57.29 2yyo n THR 55 Cb 0.66 -2.29 -0.09 0.00 -2.10 0.00 0.00 70.33 66.51 2yyo n THR 55 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2yyo s ILE 56 N 0.18 5.02 -0.04 2.28 1.01 -1.26 -3.07 121.20 125.33 2yyo s ILE 56 Ca 0.52 0.04 0.06 0.00 0.00 0.00 0.00 60.65 61.28 2yyo s ILE 56 Cb 0.16 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 2yyo s ILE 56 CO -0.06 0.50 -0.22 0.00 0.00 0.00 0.00 174.94 175.16 2yyo s ALA 57 N -0.02 1.88 -0.08 9.38 0.00 -0.12 -0.82 121.76 131.98 2yyo s ALA 57 Ca 0.07 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.12 2yyo s ALA 57 Cb -0.12 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.47 2yyo s ALA 57 CO 0.01 0.40 -0.11 0.08 0.00 0.00 0.00 175.76 176.14 2yyo s VAL 58 N -0.28 1.12 0.00 0.00 1.01 -0.62 -0.42 120.40 121.21 2yyo s VAL 58 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2yyo s VAL 58 Cb -0.11 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.21 2yyo s VAL 58 CO 0.01 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2yyo n GLY 59 N 4.20 1.44 3.27 4.51 0.00 -0.72 -0.90 105.19 116.98 2yyo n GLY 59 Ca -0.19 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 2yyo n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yyo s LEU 60 N 0.00 2.07 0.08 0.99 1.43 -0.14 -0.53 118.68 122.58 2yyo s LEU 60 Ca 0.00 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2yyo s LEU 60 Cb 0.00 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 2yyo s LEU 60 CO 0.00 0.27 -0.07 0.68 0.23 0.00 0.00 176.35 177.46 2yyo s VAL 61 N -0.60 0.67 0.88 -1.59 -7.23 -0.47 -1.43 120.40 110.63 2yyo s VAL 61 Ca 0.09 -1.72 -0.13 0.00 -1.81 0.00 0.00 61.98 58.40 2yyo s VAL 61 Cb -0.09 -1.42 0.13 0.00 0.56 0.00 0.00 36.38 35.56 2yyo s VAL 61 CO -0.00 -0.75 1.21 -2.16 -0.31 0.00 0.00 175.10 173.10 2yyo s PRO 62 N -3.26 1.37 0.62 4.82 0.04 -1.26 -0.31 135.00 137.02 2yyo s PRO 62 Ca 0.06 -0.02 -0.17 0.00 0.04 0.00 0.00 61.00 60.91 2yyo s PRO 62 Cb 0.01 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 2yyo s PRO 62 CO -0.03 -1.98 1.14 1.14 0.04 0.00 0.00 177.00 177.31 2yyo s GLN 63 N -5.63 2.93 -0.68 4.56 -2.07 -1.26 -3.02 119.66 114.49 2yyo s GLN 63 Ca 0.66 1.57 0.00 0.00 -1.82 0.00 0.00 55.36 55.77 2yyo s GLN 63 Cb -0.09 -1.95 0.00 0.00 -1.09 0.00 0.00 33.01 29.87 2yyo s GLN 63 CO 0.51 -1.18 0.00 0.66 -1.32 0.00 0.00 175.29 173.96 2yyo n TYR 64 N -1.96 0.00 -1.93 9.60 4.01 -1.26 -4.99 117.16 120.63 2yyo n TYR 64 Ca 0.12 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.48 2yyo n TYR 64 Cb 0.51 -1.52 0.03 0.00 -0.31 0.00 0.00 39.34 38.05 2yyo n TYR 64 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2yyo s TYR 65 N -2.11 2.44 0.20 -0.72 5.04 -1.17 -4.90 117.35 116.12 2yyo s TYR 65 Ca 0.00 1.44 -0.33 0.00 -2.44 0.00 0.00 57.07 55.74 2yyo s TYR 65 Cb 0.00 -3.65 -0.13 0.00 0.35 0.00 0.00 41.96 38.53 2yyo s TYR 65 CO 0.00 -2.46 1.67 0.45 -1.34 0.00 0.00 175.55 173.87 2yyo n SER 66 N -1.00 3.71 -0.20 4.32 2.88 -1.26 -4.90 113.62 117.17 2yyo n SER 66 Ca 0.10 1.07 0.10 0.00 -1.33 0.00 0.00 58.87 58.81 2yyo n SER 66 Cb 0.46 -1.53 0.49 0.00 -0.75 0.00 0.00 64.21 62.88 2yyo n SER 66 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2yyo n LEU 67 N 3.73 0.59 -0.82 2.46 4.77 -1.26 -3.66 117.00 122.80 2yyo n LEU 67 Ca 0.16 -0.25 0.05 0.00 -0.03 0.00 0.00 56.01 55.95 2yyo n LEU 67 Cb 0.33 -0.04 0.13 0.00 -2.33 0.00 0.00 43.42 41.52 2yyo n LEU 67 CO 0.64 0.12 0.28 -0.90 -1.33 0.00 0.00 177.39 176.20 2yyo n ASP 68 N -0.39 1.45 -3.94 -1.43 5.68 -1.26 -3.47 116.55 113.19 2yyo n ASP 68 Ca 0.15 -3.13 -0.12 0.00 -0.50 0.00 0.00 54.79 51.19 2yyo n ASP 68 Cb 0.16 -0.43 -0.13 0.00 -1.14 0.00 0.00 41.12 39.58 2yyo n ASP 68 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 2yyo s HIS 69 N -2.02 0.22 0.40 2.11 3.76 -1.24 -4.62 115.29 113.90 2yyo s HIS 69 Ca 0.34 -0.24 -0.26 0.00 -0.15 0.00 0.00 55.06 54.75 2yyo s HIS 69 Cb 0.35 -0.15 -0.09 0.00 1.11 0.00 0.00 32.58 33.80 2yyo s HIS 69 CO -0.09 -0.07 1.28 -0.65 -0.85 0.00 0.00 174.74 174.36 2yyo s GLN 70 N -0.67 4.01 0.50 1.40 -1.52 -1.26 -4.80 119.66 117.31 2yyo s GLN 70 Ca -0.06 2.10 -0.23 0.00 -1.95 0.00 0.00 55.36 55.22 2yyo s GLN 70 Cb -0.05 -2.77 -0.06 0.00 -0.22 0.00 0.00 33.01 29.92 2yyo s GLN 70 CO -0.00 -0.44 1.32 -1.25 -0.25 0.00 0.00 175.29 174.67 2yyo s PRO 71 N -2.21 3.41 0.00 2.91 0.04 -1.26 -2.02 135.00 135.86 2yyo s PRO 71 Ca 0.56 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2yyo s PRO 71 Cb -0.37 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2yyo s PRO 71 CO 0.47 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.98 2yyo n GLY 72 N 0.64 2.94 0.21 0.56 0.00 -1.26 -4.50 105.19 103.78 2yyo n GLY 72 Ca 0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 2yyo n GLY 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2yyo h TRP 73 N 0.00 0.59 -2.45 1.61 6.55 -1.60 0.22 115.95 120.87 2yyo h TRP 73 Ca 0.00 -0.18 -0.55 0.00 0.95 0.00 0.00 58.89 59.11 2yyo h TRP 73 Cb 0.00 -0.12 -0.07 0.00 -0.86 0.00 0.00 29.16 28.11 2yyo h TRP 73 CO 0.00 0.86 -0.58 -0.51 -1.05 0.00 0.00 178.44 177.16 2yyo s LEU 74 N -8.38 3.61 0.41 -4.49 1.43 -1.26 -2.35 118.68 107.64 2yyo s LEU 74 Ca -0.07 -0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 52.49 2yyo s LEU 74 Cb 0.12 -2.18 -0.14 0.00 0.03 0.00 0.00 46.19 44.03 2yyo s LEU 74 CO 0.82 0.02 0.38 -2.65 0.23 0.00 0.00 176.35 175.15 2yyo n PRO 75 N -0.73 0.35 -1.59 1.29 -0.02 -1.22 -2.94 135.00 130.14 2yyo n PRO 75 Ca -0.08 0.13 -0.19 0.00 -2.02 0.00 0.00 63.50 61.33 2yyo n PRO 75 Cb 0.57 -1.31 -0.08 0.00 -0.02 0.00 0.00 33.50 32.65 2yyo n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2yyo n ASP 76 N 1.66 -5.35 -4.38 2.55 8.00 -1.26 -4.88 116.55 112.88 2yyo n ASP 76 Ca 0.12 0.47 -0.21 0.00 0.71 0.00 0.00 54.79 55.88 2yyo n ASP 76 Cb 0.39 -4.56 -0.10 0.00 -0.02 0.00 0.00 41.12 36.83 2yyo n ASP 76 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2yyo s SER 77 N -2.77 2.91 -0.13 -2.24 1.04 -1.15 -4.13 113.70 107.22 2yyo s SER 77 Ca 0.00 -1.01 -0.11 0.00 0.48 0.00 0.00 55.95 55.31 2yyo s SER 77 Cb 0.00 -0.19 0.04 0.00 0.10 0.00 0.00 66.02 65.97 2yyo s SER 77 CO 0.00 -0.09 0.34 0.54 0.98 0.00 0.00 173.24 175.01 2yyo s VAL 78 N -2.72 -0.00 0.11 5.02 0.11 -0.51 -3.55 120.40 118.86 2yyo s VAL 78 Ca 0.24 0.02 -0.23 0.00 -2.93 0.00 0.00 61.98 59.08 2yyo s VAL 78 Cb -0.03 -0.48 0.06 0.00 -1.53 0.00 0.00 36.38 34.40 2yyo s VAL 78 CO 0.09 0.01 0.56 0.00 -3.33 0.00 0.00 175.10 172.43 2yyo s ALA 79 N 0.35 -1.46 -0.23 1.54 0.00 0.25 -0.97 121.76 121.24 2yyo s ALA 79 Ca -0.01 0.51 -0.07 0.00 0.00 0.00 0.00 51.96 52.38 2yyo s ALA 79 Cb -0.03 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 2yyo s ALA 79 CO -0.01 -0.66 0.06 -0.47 0.00 0.00 0.00 175.76 174.67 2yyo s TYR 80 N -3.27 3.09 -0.23 0.00 5.04 -0.08 -0.54 117.35 121.37 2yyo s TYR 80 Ca -0.01 -0.37 -0.11 0.00 -2.44 0.00 0.00 57.07 54.14 2yyo s TYR 80 Cb -0.00 -2.20 -0.05 0.00 0.35 0.00 0.00 41.96 40.06 2yyo s TYR 80 CO -0.09 -0.28 0.19 -1.01 -1.34 0.00 0.00 175.55 173.03 2yyo s HIS 81 N 1.38 3.34 0.30 4.97 3.76 -0.57 -1.59 115.29 126.88 2yyo s HIS 81 Ca 0.05 0.30 0.01 0.00 -0.15 0.00 0.00 55.06 55.28 2yyo s HIS 81 Cb -0.15 -2.30 0.46 0.00 1.11 0.00 0.00 32.58 31.71 2yyo s HIS 81 CO 0.03 0.08 1.81 0.00 -0.85 0.00 0.00 174.74 175.81 2yyo h ALA 82 N 7.38 1.22 0.00 -1.40 0.00 -1.21 0.30 119.26 125.55 2yyo h ALA 82 Ca -0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2yyo h ALA 82 Cb 1.17 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2yyo h ALA 82 CO 0.68 0.51 -0.09 0.38 0.00 0.00 0.00 179.25 180.73 2yyo h ASP 83 N 0.60 0.00 0.00 0.00 2.03 -1.66 0.20 116.42 117.59 2yyo h ASP 83 Ca 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 2yyo h ASP 83 Cb 0.42 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.92 2yyo h ASP 83 CO 0.02 0.09 0.00 -0.90 -1.03 0.00 0.00 179.24 177.42 2yyo n ASP 84 N -3.35 0.18 -0.02 4.15 5.68 -1.20 -4.89 116.55 117.08 2yyo n ASP 84 Ca -0.01 -0.66 -0.00 0.00 -0.50 0.00 0.00 54.79 53.62 2yyo n ASP 84 Cb 0.28 0.12 -0.00 0.00 -1.14 0.00 0.00 41.12 40.38 2yyo n ASP 84 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2yyo n GLY 85 N 0.12 0.24 3.87 6.12 0.00 0.10 -4.56 105.19 111.08 2yyo n GLY 85 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2yyo n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yyo s LYS 86 N -1.20 3.84 -0.20 1.61 1.02 -1.21 -0.14 119.74 123.47 2yyo s LYS 86 Ca 0.00 0.53 -0.14 0.00 0.02 0.00 0.00 55.97 56.38 2yyo s LYS 86 Cb 0.00 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 2yyo s LYS 86 CO 0.00 0.02 0.32 -1.17 -0.92 0.00 0.00 175.35 173.60 2yyo s LEU 87 N -3.60 4.17 -0.11 3.17 2.96 -0.50 -1.51 118.68 123.26 2yyo s LEU 87 Ca 0.52 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.87 2yyo s LEU 87 Cb -0.10 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.18 2yyo s LEU 87 CO 0.27 -0.00 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.85 2yyo s TYR 88 N 1.03 2.76 -0.41 5.38 2.02 0.30 -1.54 117.35 126.90 2yyo s TYR 88 Ca 0.16 -0.56 0.09 0.00 -0.37 0.00 0.00 57.07 56.39 2yyo s TYR 88 Cb -0.14 -1.78 0.31 0.00 -0.40 0.00 0.00 41.96 39.95 2yyo s TYR 88 CO 0.06 -0.14 0.81 0.27 -1.57 0.00 0.00 175.55 174.98 2yyo n ASN 89 N 3.25 -0.58 0.00 2.29 6.94 -1.16 -0.58 115.26 125.41 2yyo n ASN 89 Ca -0.18 -3.17 0.00 0.00 -0.02 0.00 0.00 54.58 51.21 2yyo n ASN 89 Cb 0.53 0.34 0.00 0.00 -2.36 0.00 0.00 39.78 38.29 2yyo n ASN 89 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2yyo n GLY 90 N 0.69 1.63 3.29 4.83 0.00 0.77 -4.78 105.19 111.61 2yyo n GLY 90 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2yyo n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yyo s ARG 91 N 0.00 1.21 -0.11 1.61 0.52 -0.99 -3.39 118.95 117.80 2yyo s ARG 91 Ca 0.00 -1.44 0.02 0.00 -0.52 0.00 0.00 55.73 53.79 2yyo s ARG 91 Cb 0.00 0.32 0.23 0.00 0.52 0.00 0.00 34.95 36.02 2yyo s ARG 91 CO 0.00 -0.42 1.13 0.00 0.02 0.00 0.00 175.30 176.02 2yyo n ALA 92 N -0.25 3.25 -4.06 2.13 0.00 -1.25 -4.35 120.51 115.98 2yyo n ALA 92 Ca -0.02 -0.78 -0.32 0.00 0.00 0.00 0.00 53.44 52.33 2yyo n ALA 92 Cb 0.64 -1.10 -0.16 0.00 0.00 0.00 0.00 19.45 18.84 2yyo n ALA 92 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2yyo s LYS 93 N -1.24 2.43 0.80 0.00 2.20 -1.26 -5.12 119.74 117.55 2yyo s LYS 93 Ca 0.17 -0.94 -0.10 0.00 -0.36 0.00 0.00 55.97 54.74 2yyo s LYS 93 Cb 0.14 -2.56 0.10 0.00 -1.51 0.00 0.00 37.83 34.00 2yyo s LYS 93 CO 0.04 -0.37 1.14 0.20 -0.36 0.00 0.00 175.35 175.99 2yyo s GLY 94 N 1.29 1.68 -0.06 5.54 0.00 -1.26 -4.80 107.32 109.71 2yyo s GLY 94 Ca -0.01 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.79 2yyo s GLY 94 CO -0.09 -0.42 -0.16 -1.60 0.00 0.00 0.00 173.10 170.83 2yyo s ARG 95 N -5.50 1.97 0.08 2.90 3.52 -0.59 -4.91 118.95 116.43 2yyo s ARG 95 Ca 0.64 -0.56 -0.36 0.00 -0.13 0.00 0.00 55.73 55.32 2yyo s ARG 95 Cb -0.09 -1.61 -0.18 0.00 -1.56 0.00 0.00 34.95 31.51 2yyo s ARG 95 CO 0.48 0.12 1.16 1.04 -0.81 0.00 0.00 175.30 177.29 2yyo n GLN 96 N 3.56 0.70 0.00 5.12 1.13 -1.26 -1.41 117.38 125.21 2yyo n GLN 96 Ca -0.21 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 2yyo n GLN 96 Cb 0.52 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 29.10 2yyo n GLN 96 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2yyo n PHE 97 N 1.81 -0.35 -3.40 1.08 7.35 -1.24 -4.75 117.46 117.95 2yyo n PHE 97 Ca 0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 2yyo n PHE 97 Cb 0.17 0.33 0.00 0.00 0.35 0.00 0.00 39.48 40.33 2yyo n PHE 97 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2yyo n GLY 98 N 0.75 5.91 3.92 7.13 0.00 0.80 -4.92 105.19 118.79 2yyo n GLY 98 Ca 0.00 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 43.82 2yyo n GLY 98 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yyo s SER 99 N 0.19 6.36 0.65 1.61 1.04 -1.26 -4.48 113.70 117.81 2yyo s SER 99 Ca 0.00 0.59 -0.17 0.00 0.48 0.00 0.00 55.95 56.86 2yyo s SER 99 Cb 0.00 -2.09 -0.00 0.00 0.10 0.00 0.00 66.02 64.02 2yyo s SER 99 CO 0.00 -0.27 1.17 -1.59 0.98 0.00 0.00 173.24 173.54 2yyo s LYS 100 N -3.99 2.70 0.10 4.02 -2.85 -1.26 -4.30 119.74 114.15 2yyo s LYS 100 Ca 0.42 1.66 0.09 0.00 -1.00 0.00 0.00 55.97 57.14 2yyo s LYS 100 Cb -0.10 -1.91 -0.04 0.00 -2.06 0.00 0.00 37.83 33.72 2yyo s LYS 100 CO 0.34 -1.38 -0.22 0.00 0.10 0.00 0.00 175.35 174.19 2yyo n ASN 102 N 1.11 0.22 -4.66 0.00 2.85 -1.26 -4.57 115.26 108.95 2yyo n ASN 102 Ca -0.17 -1.97 -0.51 0.00 -0.11 0.00 0.00 54.58 51.82 2yyo n ASN 102 Cb 0.53 0.64 -0.05 0.00 1.24 0.00 0.00 39.78 42.13 2yyo n ASN 102 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2yyo n SER 103 N -2.19 2.60 0.00 1.20 7.64 -1.26 -1.32 113.62 120.29 2yyo n SER 103 Ca 0.01 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.96 2yyo n SER 103 Cb 0.27 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 2yyo n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yyo n GLY 104 N 3.53 2.54 3.88 0.23 0.00 0.00 -5.01 105.19 110.37 2yyo n GLY 104 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2yyo n GLY 104 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yyo s ASP 105 N -0.54 6.27 0.03 1.61 1.01 -0.44 -4.83 116.67 119.79 2yyo s ASP 105 Ca 0.00 1.23 0.05 0.00 0.71 0.00 0.00 52.55 54.53 2yyo s ASP 105 Cb 0.00 -2.38 -0.02 0.00 1.01 0.00 0.00 42.92 41.53 2yyo s ASP 105 CO 0.00 -0.73 -0.14 0.00 0.21 0.00 0.00 175.17 174.51 2yyo s ARG 106 N -4.92 0.93 -0.08 8.23 1.70 -1.26 -1.18 118.95 122.37 2yyo s ARG 106 Ca 0.52 -0.73 0.05 0.00 -0.47 0.00 0.00 55.73 55.10 2yyo s ARG 106 Cb -0.11 -0.93 -0.01 0.00 -0.57 0.00 0.00 34.95 33.33 2yyo s ARG 106 CO 0.49 0.23 -0.23 0.42 -1.08 0.00 0.00 175.30 175.13 2yyo s ILE 107 N -0.80 2.17 0.25 4.99 1.01 0.10 -0.22 121.20 128.69 2yyo s ILE 107 Ca 0.02 -1.00 0.11 0.00 0.00 0.00 0.00 60.65 59.78 2yyo s ILE 107 Cb -0.08 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 2yyo s ILE 107 CO 0.01 0.56 -0.19 -0.83 0.00 0.00 0.00 174.94 174.50 2yyo s GLY 108 N 0.07 1.81 -0.15 6.18 0.00 0.02 0.07 107.32 115.32 2yyo s GLY 108 Ca -0.10 -1.77 -0.09 0.00 0.00 0.00 0.00 44.72 42.75 2yyo s GLY 108 CO 0.06 -1.84 0.37 0.00 0.00 0.00 0.00 173.10 171.69 2yyo s GLY 110 N 1.09 0.93 -0.02 0.00 0.00 -0.26 -1.81 107.32 107.25 2yyo s GLY 110 Ca -0.07 -1.15 0.07 0.00 0.00 0.00 0.00 44.72 43.57 2yyo s GLY 110 CO -0.09 -0.76 -0.23 -0.42 0.00 0.00 0.00 173.10 171.60 2yyo s ILE 111 N -3.38 2.29 0.02 0.90 1.01 -0.21 -1.06 121.20 120.77 2yyo s ILE 111 Ca 0.25 -1.06 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 2yyo s ILE 111 Cb -0.01 -1.83 -0.07 0.00 0.01 0.00 0.00 42.46 40.57 2yyo s ILE 111 CO 0.14 0.56 1.52 -1.61 0.00 0.00 0.00 174.94 175.55 2yyo s GLU 112 N -0.71 4.24 0.31 2.79 0.41 0.09 -4.86 118.70 120.97 2yyo s GLU 112 Ca 0.11 2.12 0.07 0.00 -0.41 0.00 0.00 54.97 56.86 2yyo s GLU 112 Cb -0.10 -3.62 0.88 0.00 -1.78 0.00 0.00 34.13 29.51 2yyo s GLU 112 CO -0.00 -0.66 1.62 -1.35 -0.49 0.00 0.00 175.26 174.37 2yyo h PRO 113 N 8.18 0.13 -0.54 0.39 0.11 -1.91 0.35 132.00 138.71 2yyo h PRO 113 Ca -0.40 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.77 2yyo h PRO 113 Cb 1.19 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2yyo h PRO 113 CO 0.92 0.09 0.36 0.28 -0.21 0.00 0.00 178.00 179.44 2yyo h VAL 114 N 0.13 0.97 0.00 3.15 2.07 -1.97 -1.32 116.25 119.28 2yyo h VAL 114 Ca 0.64 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 68.00 2yyo h VAL 114 Cb 1.42 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2yyo h VAL 114 CO -0.74 0.09 0.00 -1.54 0.02 0.00 0.00 177.57 175.40 2yyo n SER 115 N -4.47 0.72 -0.34 0.57 3.41 0.11 -3.18 113.62 110.45 2yyo n SER 115 Ca 0.08 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 2yyo n SER 115 Cb 0.26 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2yyo n SER 115 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2yyo n PHE 116 N -2.27 0.00 -1.42 7.33 3.01 -0.50 -2.17 117.46 121.43 2yyo n PHE 116 Ca 0.03 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.20 2yyo n PHE 116 Cb 0.27 -0.01 0.10 0.00 -0.01 0.00 0.00 39.48 39.82 2yyo n PHE 116 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2yyo n ASP 117 N 0.10 6.21 -0.37 4.37 8.00 -1.19 -5.03 116.55 128.64 2yyo n ASP 117 Ca 0.00 -3.75 0.01 0.00 0.71 0.00 0.00 54.79 51.75 2yyo n ASP 117 Cb 0.04 -0.84 -0.00 0.00 -0.02 0.00 0.00 41.12 40.30 2yyo n ASP 117 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2yyo n VAL 118 N -0.95 0.00 -0.96 2.53 0.24 -0.92 -4.82 118.33 113.46 2yyo n VAL 118 Ca 0.57 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.89 2yyo n VAL 118 Cb 0.91 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 2yyo n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yyo n GLN 119 N -1.58 -0.05 0.00 7.34 1.13 -1.26 -4.93 117.38 118.03 2yyo n GLN 119 Ca -0.00 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 2yyo n GLN 119 Cb 0.51 -2.84 0.00 0.00 0.11 0.00 0.00 30.24 28.01 2yyo n GLN 119 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2yyo n THR 120 N -2.20 0.00 -4.01 5.09 -2.24 -1.26 -4.86 114.28 104.80 2yyo n THR 120 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 2yyo n THR 120 Cb 0.01 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.09 2yyo n THR 120 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yyo s ALA 121 N -1.17 2.10 -0.58 6.98 0.00 -1.26 -4.48 121.76 123.36 2yyo s ALA 121 Ca 0.00 -1.32 -0.22 0.00 0.00 0.00 0.00 51.96 50.43 2yyo s ALA 121 Cb 0.00 -1.34 0.07 0.00 0.00 0.00 0.00 23.12 21.84 2yyo s ALA 121 CO 0.00 -0.90 0.84 -1.14 0.00 0.00 0.00 175.76 174.55 2yyo s GLN 122 N 1.34 3.16 -0.17 0.00 0.74 -1.26 -4.26 119.66 119.21 2yyo s GLN 122 Ca -0.03 -0.79 -0.11 0.00 0.05 0.00 0.00 55.36 54.49 2yyo s GLN 122 Cb -0.17 -4.16 -0.05 0.00 1.10 0.00 0.00 33.01 29.73 2yyo s GLN 122 CO -0.08 -1.55 0.18 0.42 -0.55 0.00 0.00 175.29 173.71 2yyo s ILE 123 N 3.47 5.39 0.14 -2.34 1.01 0.55 -0.73 121.20 128.69 2yyo s ILE 123 Ca 0.21 0.29 0.10 0.00 0.00 0.00 0.00 60.65 61.25 2yyo s ILE 123 Cb -0.18 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 2yyo s ILE 123 CO 0.12 0.46 -0.23 0.72 0.00 0.00 0.00 174.94 176.01 2yyo s PHE 124 N 0.11 2.09 0.14 3.97 -0.12 -0.22 -0.86 117.98 123.08 2yyo s PHE 124 Ca 0.12 -0.40 0.09 0.00 -0.05 0.00 0.00 56.93 56.69 2yyo s PHE 124 Cb -0.12 -1.09 -0.04 0.00 -0.63 0.00 0.00 43.02 41.14 2yyo s PHE 124 CO 0.01 0.34 -0.22 -0.06 -0.05 0.00 0.00 175.22 175.24 2yyo s PHE 125 N -1.41 1.96 0.07 3.49 0.08 -0.56 -1.11 117.98 120.51 2yyo s PHE 125 Ca 0.14 -0.42 0.03 0.00 0.12 0.00 0.00 56.93 56.80 2yyo s PHE 125 Cb -0.09 -1.03 -0.03 0.00 -0.57 0.00 0.00 43.02 41.30 2yyo s PHE 125 CO 0.07 0.30 -0.09 0.95 -0.10 0.00 0.00 175.22 176.35 2yyo s THR 126 N -1.44 0.74 -0.14 0.64 -4.23 -0.23 -0.60 115.64 110.37 2yyo s THR 126 Ca 0.12 -1.39 -0.00 0.00 -1.18 0.00 0.00 61.69 59.23 2yyo s THR 126 Cb -0.09 -1.04 0.03 0.00 1.34 0.00 0.00 72.50 72.75 2yyo s THR 126 CO 0.06 -0.49 -0.09 -0.75 -0.54 0.00 0.00 174.62 172.81 2yyo s LYS 127 N -2.29 1.71 -1.47 3.99 2.20 0.21 -0.80 119.74 123.30 2yyo s LYS 127 Ca -0.01 -0.44 -0.10 0.00 -0.36 0.00 0.00 55.97 55.05 2yyo s LYS 127 Cb -0.06 -1.89 0.06 0.00 -1.51 0.00 0.00 37.83 34.44 2yyo s LYS 127 CO -0.00 -0.32 0.90 0.09 -0.36 0.00 0.00 175.35 175.66 2yyo n ASN 128 N 4.87 -3.80 0.00 1.43 3.02 0.69 -1.80 115.26 119.67 2yyo n ASN 128 Ca -0.13 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 2yyo n ASN 128 Cb 0.49 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.73 2yyo n ASN 128 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yyo n GLY 129 N -1.68 2.81 3.67 7.41 0.00 -1.26 -5.01 105.19 111.13 2yyo n GLY 129 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2yyo n GLY 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yyo s LYS 130 N -0.06 3.99 0.31 1.61 2.20 -0.75 -5.03 119.74 122.01 2yyo s LYS 130 Ca 0.00 -0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 55.01 2yyo s LYS 130 Cb 0.00 -3.26 -0.11 0.00 -1.51 0.00 0.00 37.83 32.96 2yyo s LYS 130 CO 0.00 0.31 1.48 0.50 -0.36 0.00 0.00 175.35 177.28 2yyo s ARG 131 N 0.29 4.20 -0.26 4.03 3.52 -1.26 -0.62 118.95 128.84 2yyo s ARG 131 Ca 0.05 2.44 -0.15 0.00 -0.13 0.00 0.00 55.73 57.94 2yyo s ARG 131 Cb -0.12 -3.04 -0.11 0.00 -1.56 0.00 0.00 34.95 30.11 2yyo s ARG 131 CO -0.00 -0.48 -0.34 0.28 -0.81 0.00 0.00 175.30 173.96 2yyo n VAL 132 N 1.60 1.53 -3.95 7.11 0.31 0.23 -4.86 118.33 120.30 2yyo n VAL 132 Ca 0.05 -0.30 0.03 0.00 -0.01 0.00 0.00 64.34 64.12 2yyo n VAL 132 Cb 0.39 -1.96 0.01 0.00 -0.91 0.00 0.00 33.84 31.38 2yyo n VAL 132 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2yyo s GLY 133 N -5.39 -0.20 0.26 2.92 0.00 -1.24 -4.95 107.32 98.73 2yyo s GLY 133 Ca -0.37 0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.56 2yyo s GLY 133 CO 0.48 5.28 0.19 -0.56 0.00 0.00 0.00 173.10 178.49 2yyo s SER 134 N -3.75 0.92 -0.12 1.64 0.01 -1.26 -1.50 113.70 109.65 2yyo s SER 134 Ca 0.28 -1.55 -0.27 0.00 1.31 0.00 0.00 55.95 55.72 2yyo s SER 134 Cb 0.01 0.44 0.06 0.00 0.21 0.00 0.00 66.02 66.74 2yyo s SER 134 CO -0.02 -0.93 0.65 0.28 0.41 0.00 0.00 173.24 173.63 2yyo s THR 135 N -3.81 0.00 0.18 1.44 -1.32 -0.04 -5.00 115.64 107.08 2yyo s THR 135 Ca 0.39 -0.04 0.02 0.00 -1.21 0.00 0.00 61.69 60.85 2yyo s THR 135 Cb 0.05 -0.94 0.02 0.00 -1.51 0.00 0.00 72.50 70.12 2yyo s THR 135 CO 0.19 -0.02 0.16 -0.38 -2.21 0.00 0.00 174.62 172.35 2yyo n ILE 136 N 1.61 0.00 -2.11 5.08 -0.00 -1.26 -0.33 119.36 122.34 2yyo n ILE 136 Ca -0.17 -0.67 -0.27 0.00 -0.00 0.00 0.00 62.75 61.64 2yyo n ILE 136 Cb 0.56 -0.47 0.02 0.00 -0.00 0.00 0.00 39.64 39.75 2yyo n ILE 136 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 2yyo n PRO 138 N -1.03 3.44 -4.35 0.38 -0.04 -1.26 -4.94 135.00 127.20 2yyo n PRO 138 Ca 0.01 -4.18 -0.24 0.00 -0.04 0.00 0.00 63.50 59.04 2yyo n PRO 138 Cb 0.20 -2.27 -0.12 0.00 -0.04 0.00 0.00 33.50 31.27 2yyo n PRO 138 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yyo s SER 140 N -3.32 2.92 0.43 3.54 0.15 -1.26 -4.67 113.70 111.48 2yyo s SER 140 Ca 0.51 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2yyo s SER 140 Cb 0.42 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2yyo s SER 140 CO -0.06 0.05 0.00 -0.81 1.20 0.00 0.00 173.24 173.62 2yyo n PRO 141 N 0.55 0.50 -0.48 5.44 -0.04 -1.26 -4.09 135.00 135.62 2yyo n PRO 141 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2yyo n PRO 141 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 2yyo n PRO 141 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2yyo n ASP 142 N -1.28 -0.37 -0.08 3.54 2.03 -1.26 -4.53 116.55 114.60 2yyo n ASP 142 Ca 0.00 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.35 2yyo n ASP 142 Cb 0.00 -2.29 0.05 0.00 -0.72 0.00 0.00 41.12 38.17 2yyo n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2yyo n GLY 143 N -1.49 2.77 3.41 0.27 0.00 -1.26 -4.82 105.19 104.07 2yyo n GLY 143 Ca 0.00 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 2yyo n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yyo s LEU 144 N -1.49 3.10 -0.11 0.99 1.43 -1.26 -4.15 118.68 117.18 2yyo s LEU 144 Ca 0.12 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2yyo s LEU 144 Cb 0.11 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 2yyo s LEU 144 CO 0.01 0.07 -0.06 -0.36 0.23 0.00 0.00 176.35 176.24 2yyo s PHE 145 N 0.94 2.97 0.31 0.29 0.08 0.58 -1.86 117.98 121.30 2yyo s PHE 145 Ca 0.00 -0.17 -0.29 0.00 0.12 0.00 0.00 56.93 56.59 2yyo s PHE 145 Cb -0.15 -1.83 -0.13 0.00 -0.57 0.00 0.00 43.02 40.35 2yyo s PHE 145 CO 0.01 0.14 1.36 -2.30 -0.10 0.00 0.00 175.22 174.32 2yyo n PRO 146 N 2.87 2.16 -3.82 0.24 -0.02 -1.26 -1.37 135.00 133.81 2yyo n PRO 146 Ca -0.18 0.76 -0.12 0.00 -2.02 0.00 0.00 63.50 61.94 2yyo n PRO 146 Cb 0.53 -2.39 -0.09 0.00 -0.02 0.00 0.00 33.50 31.53 2yyo n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2yyo s ALA 147 N -0.70 -0.53 -0.02 3.55 0.00 0.31 -1.09 121.76 123.28 2yyo s ALA 147 Ca 0.60 0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.66 2yyo s ALA 147 Cb -0.58 0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.63 2yyo s ALA 147 CO 0.57 -0.23 -0.08 0.08 0.00 0.00 0.00 175.76 176.11 2yyo s VAL 148 N -1.34 0.66 0.50 0.00 1.01 -0.41 -1.76 120.40 119.07 2yyo s VAL 148 Ca -0.14 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2yyo s VAL 148 Cb -0.06 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 2yyo s VAL 148 CO 0.03 0.21 0.01 -0.83 0.00 0.00 0.00 175.10 174.52 2yyo s GLY 149 N 0.18 2.99 0.00 4.51 0.00 0.44 -0.64 107.32 114.81 2yyo s GLY 149 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.22 2yyo s GLY 149 CO 0.00 -2.18 0.00 1.57 0.00 0.00 0.00 173.10 172.50 2yyo n HIS 151 N -1.24 0.00 -3.93 1.90 -0.00 -1.17 -0.94 115.22 109.84 2yyo n HIS 151 Ca -0.18 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.90 2yyo n HIS 151 Cb 0.67 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.44 2yyo n HIS 151 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 2yyo s SER 152 N 0.00 0.16 0.42 0.26 1.04 -1.26 -4.77 113.70 109.56 2yyo s SER 152 Ca 0.00 -0.47 -0.26 0.00 0.48 0.00 0.00 55.95 55.69 2yyo s SER 152 Cb 0.00 0.21 -0.09 0.00 0.10 0.00 0.00 66.02 66.24 2yyo s SER 152 CO 0.00 -0.46 1.43 -1.48 0.98 0.00 0.00 173.24 173.72 2yyo s LEU 153 N -1.92 4.19 0.00 2.42 0.05 -1.26 -2.65 118.68 119.51 2yyo s LEU 153 Ca -0.08 2.94 0.00 0.00 0.05 0.00 0.00 54.13 57.04 2yyo s LEU 153 Cb -0.03 -3.84 0.00 0.00 -2.05 0.00 0.00 46.19 40.26 2yyo s LEU 153 CO -0.03 -1.05 0.00 0.61 -0.55 0.00 0.00 176.35 175.33 2yyo n GLY 154 N 0.55 2.28 3.74 -3.48 0.00 -1.26 -1.86 105.19 105.16 2yyo n GLY 154 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2yyo n GLY 154 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yyo s GLU 155 N -0.56 4.23 -0.18 1.61 2.02 -1.09 -3.92 118.70 120.82 2yyo s GLU 155 Ca 0.00 2.35 -0.15 0.00 0.02 0.00 0.00 54.97 57.19 2yyo s GLU 155 Cb 0.00 -3.11 0.05 0.00 0.10 0.00 0.00 34.13 31.17 2yyo s GLU 155 CO 0.00 -0.50 0.47 -2.00 0.02 0.00 0.00 175.26 173.25 2yyo s GLU 156 N 0.08 0.53 0.22 1.61 2.12 -0.28 -1.05 118.70 121.93 2yyo s GLU 156 Ca 0.63 0.72 -0.01 0.00 0.36 0.00 0.00 54.97 56.67 2yyo s GLU 156 Cb -0.43 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.13 2yyo s GLU 156 CO 0.40 -0.09 0.18 0.14 -0.54 0.00 0.00 175.26 175.35 2yyo s VAL 157 N 0.55 0.00 -0.09 3.70 -7.23 -0.24 -0.49 120.40 116.59 2yyo s VAL 157 Ca -0.02 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.23 2yyo s VAL 157 Cb -0.04 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.43 2yyo s VAL 157 CO -0.03 0.00 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.46 2yyo s ARG 158 N -4.05 2.32 -0.13 4.82 0.52 -0.14 -0.79 118.95 121.50 2yyo s ARG 158 Ca 0.38 -0.61 -0.20 0.00 -0.52 0.00 0.00 55.73 54.77 2yyo s ARG 158 Cb 0.06 -1.88 -0.04 0.00 0.52 0.00 0.00 34.95 33.61 2yyo s ARG 158 CO 0.14 0.03 0.56 -1.17 0.02 0.00 0.00 175.30 174.88 2yyo s LEU 159 N 0.71 4.25 -0.71 2.53 2.96 0.78 -1.19 118.68 128.01 2yyo s LEU 159 Ca -0.12 0.90 0.05 0.00 -0.22 0.00 0.00 54.13 54.73 2yyo s LEU 159 Cb -0.16 -2.83 0.18 0.00 0.50 0.00 0.00 46.19 43.88 2yyo s LEU 159 CO 0.03 -0.10 0.53 1.41 -1.32 0.00 0.00 176.35 176.90 2yyo n HIS 160 N 4.06 3.32 0.35 5.38 8.25 0.87 -4.87 115.22 132.59 2yyo n HIS 160 Ca -0.04 -4.30 0.06 0.00 -0.26 0.00 0.00 57.72 53.17 2yyo n HIS 160 Cb 0.51 -0.63 0.25 0.00 1.12 0.00 0.00 29.99 31.24 2yyo n HIS 160 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2yyo n LEU 161 N 1.85 0.06 -1.20 2.41 4.77 -1.26 -2.10 117.00 121.53 2yyo n LEU 161 Ca 0.21 0.52 0.08 0.00 -0.03 0.00 0.00 56.01 56.79 2yyo n LEU 161 Cb 0.36 -0.51 0.30 0.00 -2.33 0.00 0.00 43.42 41.23 2yyo n LEU 161 CO 0.28 -0.36 0.76 0.59 -1.33 0.00 0.00 177.39 177.33 2yyo n ASN 162 N -1.57 4.36 -4.76 -1.43 5.03 -1.26 -4.73 115.26 110.90 2yyo n ASN 162 Ca 0.02 -2.82 -0.38 0.00 0.87 0.00 0.00 54.58 52.28 2yyo n ASN 162 Cb 0.12 -0.55 0.02 0.00 -1.02 0.00 0.00 39.78 38.35 2yyo n ASN 162 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2yyo s ALA 163 N -2.50 2.88 0.18 5.41 0.00 -0.93 -5.04 121.76 121.75 2yyo s ALA 163 Ca 0.44 1.13 0.07 0.00 0.00 0.00 0.00 51.96 53.60 2yyo s ALA 163 Cb 0.34 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2yyo s ALA 163 CO 0.13 -1.02 -0.14 -1.83 0.00 0.00 0.00 175.76 172.91 2yyo s GLU 164 N -2.83 1.24 0.00 0.00 1.03 -1.26 -4.66 118.70 112.22 2yyo s GLU 164 Ca 0.68 -1.51 0.00 0.00 0.03 0.00 0.00 54.97 54.17 2yyo s GLU 164 Cb -0.34 -1.02 0.00 0.00 -0.80 0.00 0.00 34.13 31.97 2yyo s GLU 164 CO 0.41 0.17 0.00 1.28 -1.33 0.00 0.00 175.26 175.79