#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jy9 s ILE 2 N 0.00 4.85 -0.27 1.12 1.09 0.39 -4.95 121.20 123.44 2jy9 s ILE 2 Ca 0.00 1.81 -0.04 0.00 -1.10 0.00 0.00 60.65 61.32 2jy9 s ILE 2 Cb 0.00 -4.21 0.01 0.00 -1.06 0.00 0.00 42.46 37.20 2jy9 s ILE 2 CO 0.00 0.04 0.01 0.00 -0.10 0.00 0.00 174.94 174.88 2jy9 s ALA 3 N 1.96 2.89 0.33 9.38 0.00 -1.26 -0.46 121.76 134.60 2jy9 s ALA 3 Ca 0.43 -1.42 0.06 0.00 0.00 0.00 0.00 51.96 51.03 2jy9 s ALA 3 Cb -0.17 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 2jy9 s ALA 3 CO 0.16 -0.81 0.47 0.42 0.00 0.00 0.00 175.76 176.00 2jy9 s ILE 4 N 1.43 4.16 0.83 0.00 -1.09 0.07 -5.01 121.20 121.59 2jy9 s ILE 4 Ca 0.02 -0.96 -0.14 0.00 -2.23 0.00 0.00 60.65 57.34 2jy9 s ILE 4 Cb -0.17 -3.45 0.20 0.00 -1.58 0.00 0.00 42.46 37.47 2jy9 s ILE 4 CO -0.01 -0.18 0.89 -0.24 -1.23 0.00 0.00 174.94 174.16 2jy9 n SER 5 N -1.65 -0.98 0.00 3.58 2.88 -1.26 -3.99 113.62 112.20 2jy9 n SER 5 Ca -0.01 -1.15 0.00 0.00 -1.33 0.00 0.00 58.87 56.38 2jy9 n SER 5 Cb 0.58 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 2jy9 n SER 5 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2jy9 n ARG 6 N -3.58 0.00 -0.14 -1.46 0.63 -1.26 -2.44 116.66 108.41 2jy9 n ARG 6 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 2jy9 n ARG 6 Cb 0.43 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.34 2jy9 n ARG 6 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2jy9 n THR 7 N 0.00 0.00 -3.88 5.15 5.66 -1.26 -5.15 114.28 114.80 2jy9 n THR 7 Ca 0.00 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.66 2jy9 n THR 7 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 2jy9 n THR 7 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2jy9 s VAL 8 N 0.00 5.42 -0.01 1.08 1.01 -1.02 -5.02 120.40 121.86 2jy9 s VAL 8 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 2jy9 s VAL 8 Cb 0.00 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.87 2jy9 s VAL 8 CO 0.00 0.37 0.26 -0.44 0.00 0.00 0.00 175.10 175.30 2jy9 s SER 9 N -1.77 -0.14 -0.10 3.32 0.01 -1.26 -0.75 113.70 113.02 2jy9 s SER 9 Ca 0.26 0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.56 2jy9 s SER 9 Cb -0.13 0.29 0.01 0.00 0.21 0.00 0.00 66.02 66.41 2jy9 s SER 9 CO 0.16 -0.42 -0.17 -0.63 0.41 0.00 0.00 173.24 172.59 2jy9 s ILE 10 N -1.30 1.58 0.68 1.44 1.09 0.39 -4.98 121.20 120.11 2jy9 s ILE 10 Ca -0.13 -0.72 -0.14 0.00 -1.10 0.00 0.00 60.65 58.55 2jy9 s ILE 10 Cb -0.06 -1.42 0.01 0.00 -1.06 0.00 0.00 42.46 39.94 2jy9 s ILE 10 CO 0.03 0.46 1.12 0.00 -0.10 0.00 0.00 174.94 176.45 2jy9 s ALA 11 N 0.71 2.39 0.45 9.38 0.00 -1.26 -0.46 121.76 132.97 2jy9 s ALA 11 Ca -0.12 0.55 0.15 0.00 0.00 0.00 0.00 51.96 52.54 2jy9 s ALA 11 Cb -0.16 -3.33 1.03 0.00 0.00 0.00 0.00 23.12 20.66 2jy9 s ALA 11 CO 0.03 -1.41 2.00 -0.44 0.00 0.00 0.00 175.76 175.94 2jy9 h ASP 12 N -0.16 0.00 0.45 0.00 5.19 -1.95 -2.36 116.42 117.58 2jy9 h ASP 12 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 2jy9 h ASP 12 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2jy9 h ASP 12 CO 0.53 0.17 -0.23 0.59 -3.12 0.00 0.00 179.24 177.18 2jy9 n ASN 13 N -4.32 0.56 0.01 6.45 3.02 -1.26 -3.83 115.26 115.89 2jy9 n ASN 13 Ca -0.02 -0.43 -0.18 0.00 -0.03 0.00 0.00 54.58 53.91 2jy9 n ASN 13 Cb 0.24 0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.31 2jy9 n ASN 13 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2jy9 h GLU 14 N 0.51 0.61 -6.56 3.52 4.39 -1.80 -3.45 114.58 111.80 2jy9 h GLU 14 Ca 0.00 -0.60 -0.52 0.00 0.34 0.00 0.00 59.36 58.58 2jy9 h GLU 14 Cb 0.45 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 2jy9 h GLU 14 CO 0.00 1.21 0.12 -0.51 -1.16 0.00 0.00 179.01 178.68 2jy9 s LEU 15 N -8.30 4.39 -0.42 1.33 1.43 -1.25 -5.02 118.68 110.84 2jy9 s LEU 15 Ca -0.11 1.47 -0.27 0.00 -1.03 0.00 0.00 54.13 54.19 2jy9 s LEU 15 Cb 0.06 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.76 2jy9 s LEU 15 CO 0.88 0.06 0.99 -1.61 0.23 0.00 0.00 176.35 176.90 2jy9 s GLU 16 N -1.82 3.74 -0.39 1.70 2.02 -1.25 -4.93 118.70 117.77 2jy9 s GLU 16 Ca 0.42 0.49 -0.16 0.00 0.02 0.00 0.00 54.97 55.74 2jy9 s GLU 16 Cb -0.18 -3.86 0.01 0.00 0.10 0.00 0.00 34.13 30.20 2jy9 s GLU 16 CO 0.22 -1.13 0.40 0.42 0.02 0.00 0.00 175.26 175.19 2jy9 s ILE 17 N 3.82 5.12 0.05 -1.63 -1.09 -1.26 -1.78 121.20 124.43 2jy9 s ILE 17 Ca 0.41 -0.18 0.09 0.00 -2.23 0.00 0.00 60.65 58.74 2jy9 s ILE 17 Cb -0.10 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 2jy9 s ILE 17 CO 0.24 -0.28 -0.25 0.42 -1.23 0.00 0.00 174.94 173.84 2jy9 s THR 18 N 2.08 2.03 -0.07 2.92 -4.23 0.11 -5.00 115.64 113.47 2jy9 s THR 18 Ca 0.12 -1.36 -0.27 0.00 -1.18 0.00 0.00 61.69 59.00 2jy9 s THR 18 Cb -0.17 -1.75 -0.02 0.00 1.34 0.00 0.00 72.50 71.90 2jy9 s THR 18 CO 0.13 0.32 0.89 0.00 -0.54 0.00 0.00 174.62 175.41 2jy9 s ALA 19 N -0.81 3.33 -0.24 3.99 0.00 -1.26 -2.54 121.76 124.23 2jy9 s ALA 19 Ca 0.11 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 2jy9 s ALA 19 Cb -0.10 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 2jy9 s ALA 19 CO 0.02 -0.37 1.76 0.42 0.00 0.00 0.00 175.76 177.60 2jy9 s ILE 20 N 1.41 3.50 -0.96 0.00 1.09 -1.26 -4.91 121.20 120.07 2jy9 s ILE 20 Ca 0.45 0.55 -0.22 0.00 -1.10 0.00 0.00 60.65 60.32 2jy9 s ILE 20 Cb -0.19 -3.56 0.07 0.00 -1.06 0.00 0.00 42.46 37.72 2jy9 s ILE 20 CO 0.20 -0.28 1.34 -0.60 -0.10 0.00 0.00 174.94 175.50 2jy9 s ARG 21 N 5.15 3.54 -0.46 2.79 6.06 -1.26 -4.68 118.95 130.09 2jy9 s ARG 21 Ca 0.78 -1.19 0.04 0.00 -2.50 0.00 0.00 55.73 52.86 2jy9 s ARG 21 Cb -0.26 -5.12 0.43 0.00 0.06 0.00 0.00 34.95 30.06 2jy9 s ARG 21 CO 0.32 -2.09 1.38 0.00 -2.50 0.00 0.00 175.30 172.42 2jy9 n ALA 22 N 8.32 5.40 -1.65 6.12 0.00 -1.26 -5.01 120.51 132.43 2jy9 n ALA 22 Ca 0.27 -3.96 -0.40 0.00 0.00 0.00 0.00 53.44 49.35 2jy9 n ALA 22 Cb 0.50 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 2jy9 n ALA 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2jy9 s GLN 23 N -3.67 2.64 -0.36 0.00 2.00 -1.26 -4.67 119.66 114.34 2jy9 s GLN 23 Ca 0.52 1.60 0.05 0.00 -2.00 0.00 0.00 55.36 55.53 2jy9 s GLN 23 Cb 0.42 -4.46 0.24 0.00 0.80 0.00 0.00 33.01 30.01 2jy9 s GLN 23 CO -0.10 -2.66 1.21 0.41 -0.50 0.00 0.00 175.29 173.65 2jy9 n GLY 24 N 5.84 0.11 0.13 2.59 0.00 -1.26 -4.99 105.19 107.61 2jy9 n GLY 24 Ca 0.32 0.03 -0.20 0.00 0.00 0.00 0.00 46.02 46.17 2jy9 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jy9 n ALA 25 N -0.38 1.14 0.00 4.61 0.00 -1.26 -4.97 120.51 119.66 2jy9 n ALA 25 Ca -0.13 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.48 2jy9 n ALA 25 Cb 0.74 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.79 2jy9 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jy9 n GLY 26 N 2.10 2.22 0.00 0.00 0.00 -1.26 -4.67 105.19 103.58 2jy9 n GLY 26 Ca -0.39 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2jy9 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jy9 n GLY 27 N 0.00 -0.74 7.00 -0.02 0.00 -1.26 -5.08 105.19 105.08 2jy9 n GLY 27 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2jy9 n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jy9 n GLN 28 N 0.00 0.00 -0.04 1.61 3.00 -1.26 -3.26 117.38 117.43 2jy9 n GLN 28 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 2jy9 n GLN 28 Cb 0.00 0.00 0.42 0.00 0.00 0.00 0.00 30.24 30.66 2jy9 n GLN 28 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2jy9 n HIS 29 N -0.58 0.10 1.19 1.08 -0.00 -1.26 -3.60 115.22 112.15 2jy9 n HIS 29 Ca 0.00 -0.05 0.09 0.00 0.46 0.00 0.00 57.72 58.22 2jy9 n HIS 29 Cb 0.00 0.00 0.33 0.00 -0.12 0.00 0.00 29.99 30.20 2jy9 n HIS 29 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2jy9 n VAL 30 N -0.28 0.26 -1.80 3.57 0.31 -1.20 -4.92 118.33 114.27 2jy9 n VAL 30 Ca 0.14 -0.36 -0.42 0.00 -0.01 0.00 0.00 64.34 63.69 2jy9 n VAL 30 Cb 0.17 0.31 -0.02 0.00 -0.91 0.00 0.00 33.84 33.39 2jy9 n VAL 30 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2jy9 s ASN 31 N -1.43 6.41 0.13 4.52 0.01 -1.23 -4.91 114.94 118.45 2jy9 s ASN 31 Ca 0.30 2.88 -0.07 0.00 -0.71 0.00 0.00 52.86 55.26 2jy9 s ASN 31 Cb 0.16 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 2jy9 s ASN 31 CO 0.23 -0.90 0.21 -1.59 -1.51 0.00 0.00 177.10 173.53 2jy9 s LYS 32 N 0.06 1.01 0.00 -0.60 0.00 -1.26 -5.09 119.74 113.86 2jy9 s LYS 32 Ca 0.66 -1.17 0.00 0.00 0.00 0.00 0.00 55.97 55.46 2jy9 s LYS 32 Cb -0.47 0.34 0.00 0.00 0.00 0.00 0.00 37.83 37.69 2jy9 s LYS 32 CO 0.42 -0.34 0.00 -2.37 0.00 0.00 0.00 175.35 173.06 2jy9 n THR 33 N -0.14 0.00 -3.40 3.79 5.66 -1.26 -4.57 114.28 114.36 2jy9 n THR 33 Ca -0.09 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.59 2jy9 n THR 33 Cb 0.63 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.36 2jy9 n THR 33 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2jy9 s SER 34 N -0.98 6.62 -0.44 1.09 0.01 -1.26 -5.04 113.70 113.71 2jy9 s SER 34 Ca 0.00 0.93 0.06 0.00 1.31 0.00 0.00 55.95 58.25 2jy9 s SER 34 Cb 0.00 -2.23 0.20 0.00 0.21 0.00 0.00 66.02 64.20 2jy9 s SER 34 CO 0.00 -0.09 0.53 -1.20 0.41 0.00 0.00 173.24 172.89 2jy9 n SER 35 N -0.19 -1.26 -3.71 2.44 7.64 -1.26 -5.06 113.62 112.22 2jy9 n SER 35 Ca 0.01 -2.67 -0.10 0.00 1.01 0.00 0.00 58.87 57.12 2jy9 n SER 35 Cb 0.52 0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 63.88 2jy9 n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jy9 s ALA 36 N 0.02 -1.01 -0.20 -0.43 0.00 -1.26 -4.60 121.76 114.28 2jy9 s ALA 36 Ca 0.33 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.10 2jy9 s ALA 36 Cb 0.08 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.05 2jy9 s ALA 36 CO -0.15 -0.81 -0.07 0.42 0.00 0.00 0.00 175.76 175.15 2jy9 s ILE 37 N -3.86 3.20 -0.16 0.00 -1.09 0.23 -4.60 121.20 114.93 2jy9 s ILE 37 Ca 0.08 -0.56 -0.02 0.00 -2.23 0.00 0.00 60.65 57.93 2jy9 s ILE 37 Cb -0.01 -2.43 -0.01 0.00 -1.58 0.00 0.00 42.46 38.42 2jy9 s ILE 37 CO -0.03 0.45 -0.09 -2.28 -1.23 0.00 0.00 174.94 171.76 2jy9 s HIS 38 N 1.25 2.89 0.03 3.97 5.65 -1.05 -1.64 115.29 126.39 2jy9 s HIS 38 Ca 0.03 -0.68 0.02 0.00 0.25 0.00 0.00 55.06 54.68 2jy9 s HIS 38 Cb -0.14 -1.93 -0.02 0.00 -1.18 0.00 0.00 32.58 29.30 2jy9 s HIS 38 CO -0.03 -0.28 -0.07 -0.48 -0.65 0.00 0.00 174.74 173.23 2jy9 s LEU 39 N 0.67 2.23 -0.33 8.88 2.34 -1.14 0.07 118.68 131.39 2jy9 s LEU 39 Ca -0.05 -0.50 -0.11 0.00 0.06 0.00 0.00 54.13 53.53 2jy9 s LEU 39 Cb -0.15 -0.12 -0.00 0.00 -0.56 0.00 0.00 46.19 45.35 2jy9 s LEU 39 CO 0.02 -0.20 0.20 -0.13 -1.06 0.00 0.00 176.35 175.18 2jy9 s ARG 40 N -1.44 3.29 -0.56 1.48 0.52 -0.73 -3.06 118.95 118.45 2jy9 s ARG 40 Ca -0.10 -0.76 -0.18 0.00 -0.52 0.00 0.00 55.73 54.17 2jy9 s ARG 40 Cb -0.09 -3.69 0.11 0.00 0.52 0.00 0.00 34.95 31.79 2jy9 s ARG 40 CO 0.00 -0.48 0.60 0.12 0.02 0.00 0.00 175.30 175.56 2jy9 s PHE 41 N 1.64 3.11 -0.26 -0.53 5.36 0.21 -3.86 117.98 123.64 2jy9 s PHE 41 Ca 0.05 -1.04 -0.07 0.00 -0.96 0.00 0.00 56.93 54.90 2jy9 s PHE 41 Cb -0.18 -3.84 -0.02 0.00 -0.34 0.00 0.00 43.02 38.65 2jy9 s PHE 41 CO 0.08 -1.14 0.08 0.34 -1.46 0.00 0.00 175.22 173.12 2jy9 s ASP 42 N 3.47 5.15 0.07 6.13 -1.08 -1.26 0.18 116.67 129.32 2jy9 s ASP 42 Ca 0.08 -0.33 -0.17 0.00 -0.52 0.00 0.00 52.55 51.61 2jy9 s ASP 42 Cb -0.26 -1.92 -0.12 0.00 -1.46 0.00 0.00 42.92 39.16 2jy9 s ASP 42 CO 0.06 -0.08 1.37 0.40 0.52 0.00 0.00 175.17 177.43 2jy9 h ILE 43 N 5.61 1.33 -0.89 4.11 2.04 -1.91 -2.94 117.51 124.87 2jy9 h ILE 43 Ca -0.37 -1.44 0.02 0.00 1.00 0.00 0.00 64.86 64.08 2jy9 h ILE 43 Cb 1.16 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.96 2jy9 h ILE 43 CO 0.59 0.44 0.59 -0.09 0.00 0.00 0.00 178.15 179.67 2jy9 h ARG 44 N 0.22 1.12 0.00 2.37 2.43 -1.92 -2.02 114.38 116.59 2jy9 h ARG 44 Ca 0.03 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2jy9 h ARG 44 Cb 0.82 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2jy9 h ARG 44 CO 0.06 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 179.26 2jy9 h ALA 45 N 1.46 1.00 -0.85 2.80 0.00 -1.96 -3.46 119.26 118.26 2jy9 h ALA 45 Ca 0.34 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.70 2jy9 h ALA 45 Cb -0.06 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2jy9 h ALA 45 CO -0.09 0.00 -0.30 -1.54 0.00 0.00 0.00 179.25 177.33 2jy9 s SER 46 N -4.84 4.78 -0.63 0.00 1.04 -0.76 -5.06 113.70 108.24 2jy9 s SER 46 Ca 0.09 -1.07 0.04 0.00 0.48 0.00 0.00 55.95 55.48 2jy9 s SER 46 Cb 0.10 0.15 0.36 0.00 0.10 0.00 0.00 66.02 66.73 2jy9 s SER 46 CO 0.58 -1.02 1.20 0.61 0.98 0.00 0.00 173.24 175.59 2jy9 n GLY 47 N -1.77 5.79 3.78 7.32 0.00 -1.26 -4.93 105.19 114.12 2jy9 n GLY 47 Ca 0.02 -2.73 -0.35 0.00 0.00 0.00 0.00 46.02 42.96 2jy9 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jy9 s LEU 48 N -3.67 3.90 0.51 0.99 1.43 -1.26 -5.00 118.68 115.58 2jy9 s LEU 48 Ca 0.47 2.11 -0.23 0.00 -1.03 0.00 0.00 54.13 55.45 2jy9 s LEU 48 Cb 0.31 -4.43 -0.06 0.00 0.03 0.00 0.00 46.19 42.03 2jy9 s LEU 48 CO -0.17 -0.90 1.36 -2.84 0.23 0.00 0.00 176.35 174.03 2jy9 s PRO 49 N -3.01 3.35 0.40 1.29 0.02 -1.26 -4.79 135.00 131.01 2jy9 s PRO 49 Ca 0.67 2.24 0.08 0.00 0.02 0.00 0.00 61.00 64.00 2jy9 s PRO 49 Cb -0.22 -2.38 0.84 0.00 0.02 0.00 0.00 34.50 32.75 2jy9 s PRO 49 CO 0.27 -1.02 2.00 1.05 -0.33 0.00 0.00 177.00 178.96 2jy9 h GLU 50 N 1.76 0.40 -0.32 5.54 4.11 -1.98 -0.04 114.58 124.05 2jy9 h GLU 50 Ca -0.51 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 58.85 2jy9 h GLU 50 Cb 1.29 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2jy9 h GLU 50 CO 0.59 0.36 0.08 1.88 0.07 0.00 0.00 179.01 181.98 2jy9 h TYR 51 N 0.40 0.45 0.14 2.06 0.05 -2.00 0.28 116.97 118.36 2jy9 h TYR 51 Ca 0.10 -0.02 -0.23 0.00 0.05 0.00 0.00 58.73 58.62 2jy9 h TYR 51 Cb 0.13 -0.14 0.03 0.00 1.01 0.00 0.00 36.73 37.76 2jy9 h TYR 51 CO 0.00 0.40 -1.00 1.88 -1.05 0.00 0.00 178.16 178.39 2jy9 h TYR 52 N 0.45 0.73 -0.37 4.88 -1.99 -1.62 -3.26 116.97 115.80 2jy9 h TYR 52 Ca 0.11 -0.50 0.00 0.00 2.00 0.00 0.00 58.73 60.34 2jy9 h TYR 52 Cb 0.17 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 2jy9 h TYR 52 CO 0.01 1.37 0.24 -0.22 -0.00 0.00 0.00 178.16 179.56 2jy9 h LYS 53 N -0.11 0.48 -0.62 4.88 3.64 -0.55 -2.60 116.57 121.70 2jy9 h LYS 53 Ca -0.17 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 2jy9 h LYS 53 Cb 1.76 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.44 2jy9 h LYS 53 CO 0.19 0.32 0.34 1.96 -2.27 0.00 0.00 179.45 179.99 2jy9 h GLN 54 N 0.50 0.87 -0.92 1.90 1.08 -0.60 -1.44 115.11 116.50 2jy9 h GLN 54 Ca 0.14 -0.10 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2jy9 h GLN 54 Cb -0.05 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.16 2jy9 h GLN 54 CO -0.03 0.66 0.59 0.00 -0.95 0.00 0.00 178.83 179.10 2jy9 h ARG 55 N 0.85 1.21 0.00 1.46 2.47 -1.56 0.57 114.38 119.38 2jy9 h ARG 55 Ca 0.22 -0.08 -0.11 0.00 -1.26 0.00 0.00 59.98 58.75 2jy9 h ARG 55 Cb 0.04 -0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 28.08 2jy9 h ARG 55 CO -0.04 0.82 -0.50 -0.07 0.56 0.00 0.00 179.97 180.74 2jy9 h LEU 56 N 1.25 0.00 0.00 3.04 3.38 -1.01 -2.39 115.31 119.58 2jy9 h LEU 56 Ca 0.33 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.11 2jy9 h LEU 56 Cb -0.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2jy9 h LEU 56 CO -0.07 0.50 -1.47 0.18 0.09 0.00 0.00 178.44 177.68 2jy9 n LEU 57 N -3.74 0.87 -0.04 1.67 4.77 -0.60 -4.31 117.00 115.62 2jy9 n LEU 57 Ca -0.01 0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 56.20 2jy9 n LEU 57 Cb 0.55 0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.60 2jy9 n LEU 57 CO 0.40 0.19 0.28 0.71 -1.33 0.00 0.00 177.39 177.64 2jy9 h THR 58 N 0.00 1.71 -3.55 -5.08 1.35 -0.87 -3.43 112.91 103.03 2jy9 h THR 58 Ca -0.19 -2.40 -0.56 0.00 -0.55 0.00 0.00 66.41 62.71 2jy9 h THR 58 Cb 1.67 3.33 -0.07 0.00 -1.73 0.00 0.00 68.15 71.35 2jy9 h THR 58 CO 0.05 0.63 0.93 0.00 -0.25 0.00 0.00 175.52 176.89 2jy9 s ALA 59 N -2.28 3.22 -1.27 6.62 0.00 -0.90 -4.46 121.76 122.69 2jy9 s ALA 59 Ca -0.18 -0.32 -0.18 0.00 0.00 0.00 0.00 51.96 51.28 2jy9 s ALA 59 Cb -0.02 -3.85 0.01 0.00 0.00 0.00 0.00 23.12 19.26 2jy9 s ALA 59 CO 0.73 -2.10 1.91 0.43 0.00 0.00 0.00 175.76 176.72 2jy9 n SER 60 N 7.76 4.12 -4.76 0.00 7.64 -1.26 -4.83 113.62 122.29 2jy9 n SER 60 Ca 0.13 -2.84 -0.39 0.00 1.01 0.00 0.00 58.87 56.78 2jy9 n SER 60 Cb 0.48 -1.67 -0.05 0.00 -1.01 0.00 0.00 64.21 61.96 2jy9 n SER 60 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2jy9 s HIS 61 N 5.32 3.70 -0.61 1.43 5.04 -1.26 -4.95 115.29 123.96 2jy9 s HIS 61 Ca 0.55 1.29 0.12 0.00 -1.54 0.00 0.00 55.06 55.48 2jy9 s HIS 61 Cb 0.06 -2.67 0.63 0.00 0.04 0.00 0.00 32.58 30.65 2jy9 s HIS 61 CO 0.05 0.33 1.38 -2.39 -2.34 0.00 0.00 174.74 171.77 2jy9 n HIS 62 N 2.72 0.38 0.25 3.88 1.44 -1.26 -0.89 115.22 121.74 2jy9 n HIS 62 Ca -0.06 0.19 0.14 0.00 -2.01 0.00 0.00 57.72 55.99 2jy9 n HIS 62 Cb 0.51 -0.81 0.60 0.00 0.12 0.00 0.00 29.99 30.41 2jy9 n HIS 62 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2jy9 h LEU 63 N 0.00 0.00 -9.56 2.39 3.38 -1.94 -3.42 115.31 106.17 2jy9 h LEU 63 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2jy9 h LEU 63 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2jy9 h LEU 63 CO 0.00 0.10 0.37 -0.63 0.09 0.00 0.00 178.44 178.37 2jy9 s ILE 64 N -3.70 4.47 0.00 1.22 -1.09 -0.07 -3.31 121.20 118.73 2jy9 s ILE 64 Ca 0.01 2.04 0.00 0.00 -2.23 0.00 0.00 60.65 60.46 2jy9 s ILE 64 Cb 0.10 -4.30 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 2jy9 s ILE 64 CO 0.58 0.30 0.05 -1.20 -1.23 0.00 0.00 174.94 173.44 2jy9 n SER 65 N 2.84 0.00 0.09 3.58 7.64 -0.29 -4.96 113.62 122.51 2jy9 n SER 65 Ca 0.03 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2jy9 n SER 65 Cb 0.49 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2jy9 n SER 65 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jy9 n ASP 66 N -0.61 -1.32 0.13 6.43 2.03 -1.26 -4.93 116.55 117.02 2jy9 n ASP 66 Ca 0.00 0.35 0.13 0.00 0.52 0.00 0.00 54.79 55.79 2jy9 n ASP 66 Cb 0.00 1.44 0.37 0.00 -0.72 0.00 0.00 41.12 42.21 2jy9 n ASP 66 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2jy9 h ASP 67 N 0.00 0.00 0.00 1.67 3.58 -2.04 -3.45 116.42 116.18 2jy9 h ASP 67 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jy9 h ASP 67 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2jy9 h ASP 67 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2jy9 n GLY 68 N 1.22 1.80 3.84 -0.78 0.00 -1.26 -4.93 105.19 105.08 2jy9 n GLY 68 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2jy9 n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jy9 s VAL 69 N -1.96 5.13 -0.24 1.61 0.11 -1.26 -3.28 120.40 120.52 2jy9 s VAL 69 Ca 0.00 -0.17 -0.08 0.00 -2.93 0.00 0.00 61.98 58.79 2jy9 s VAL 69 Cb 0.00 -3.33 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 2jy9 s VAL 69 CO 0.00 0.41 0.10 -0.63 -3.33 0.00 0.00 175.10 171.66 2jy9 s ILE 70 N -1.19 4.73 -0.23 7.04 1.01 0.13 -1.14 121.20 131.54 2jy9 s ILE 70 Ca 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.78 2jy9 s ILE 70 Cb -0.12 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 2jy9 s ILE 70 CO 0.13 0.34 0.02 -0.63 0.00 0.00 0.00 174.94 174.80 2jy9 s ILE 71 N 1.36 3.96 -0.12 2.92 1.09 -1.21 -0.62 121.20 128.58 2jy9 s ILE 71 Ca 0.06 -0.29 0.00 0.00 -1.10 0.00 0.00 60.65 59.31 2jy9 s ILE 71 Cb -0.15 -2.83 -0.02 0.00 -1.06 0.00 0.00 42.46 38.41 2jy9 s ILE 71 CO 0.05 0.38 -0.12 -0.63 -0.10 0.00 0.00 174.94 174.52 2jy9 s ILE 72 N 1.46 3.14 -0.35 2.92 1.09 -1.17 -4.97 121.20 123.32 2jy9 s ILE 72 Ca 0.05 -0.64 0.03 0.00 -1.10 0.00 0.00 60.65 59.00 2jy9 s ILE 72 Cb -0.15 -2.31 0.10 0.00 -1.06 0.00 0.00 42.46 39.04 2jy9 s ILE 72 CO 0.01 0.53 0.07 -0.75 -0.10 0.00 0.00 174.94 174.70 2jy9 s LYS 73 N 0.18 1.54 -0.21 2.79 2.20 -1.26 -2.89 119.74 122.09 2jy9 s LYS 73 Ca -0.07 -1.88 -0.08 0.00 -0.36 0.00 0.00 55.97 53.58 2jy9 s LYS 73 Cb -0.15 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 2jy9 s LYS 73 CO 0.05 -0.96 0.08 0.00 -0.36 0.00 0.00 175.35 174.16 2jy9 s ALA 74 N 0.91 3.35 -0.28 3.13 0.00 -0.65 -4.95 121.76 123.27 2jy9 s ALA 74 Ca 0.11 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.18 2jy9 s ALA 74 Cb -0.19 -2.04 0.17 0.00 0.00 0.00 0.00 23.12 21.06 2jy9 s ALA 74 CO -0.08 -0.10 0.47 1.14 0.00 0.00 0.00 175.76 177.19 2jy9 s GLN 75 N 0.89 0.45 -0.03 0.00 -2.07 -1.26 -0.60 119.66 117.04 2jy9 s GLN 75 Ca 0.04 0.47 0.00 0.00 -1.82 0.00 0.00 55.36 54.06 2jy9 s GLN 75 Cb -0.14 -0.10 -0.02 0.00 -1.09 0.00 0.00 33.01 31.67 2jy9 s GLN 75 CO 0.03 -0.86 -0.02 0.39 -1.32 0.00 0.00 175.29 173.50 2jy9 n GLU 76 N 5.38 0.55 -4.10 9.60 1.02 -1.26 -5.07 120.64 126.76 2jy9 n GLU 76 Ca 0.00 0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.02 2jy9 n GLU 76 Cb 0.51 -1.06 -0.05 0.00 -0.02 0.00 0.00 31.44 30.81 2jy9 n GLU 76 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2jy9 s PHE 77 N -2.06 1.01 0.30 -0.32 5.36 -1.26 -5.02 117.98 115.98 2jy9 s PHE 77 Ca -0.04 -1.24 0.34 0.00 -0.96 0.00 0.00 56.93 55.03 2jy9 s PHE 77 Cb 0.01 -0.13 1.58 0.00 -0.34 0.00 0.00 43.02 44.14 2jy9 s PHE 77 CO 0.08 -1.04 2.07 0.00 -1.46 0.00 0.00 175.22 174.87 2jy9 h ARG 78 N 2.19 0.00 -6.28 10.12 3.08 -2.00 -3.42 114.38 118.07 2jy9 h ARG 78 Ca -0.28 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.22 2jy9 h ARG 78 Cb 1.24 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.24 2jy9 h ARG 78 CO 0.40 0.05 1.20 -1.12 -1.07 0.00 0.00 179.97 179.42 2jy9 s SER 79 N -5.73 5.88 0.60 7.04 0.01 -1.26 -4.84 113.70 115.41 2jy9 s SER 79 Ca -0.01 0.52 0.39 0.00 1.31 0.00 0.00 55.95 58.15 2jy9 s SER 79 Cb 0.11 -2.54 1.86 0.00 0.21 0.00 0.00 66.02 65.66 2jy9 s SER 79 CO 0.53 -1.86 2.16 1.56 0.41 0.00 0.00 173.24 176.04 2jy9 h GLN 80 N 12.37 0.00 0.35 12.44 7.50 -1.95 -2.64 115.11 143.18 2jy9 h GLN 80 Ca -0.28 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 58.85 2jy9 h GLN 80 Cb 1.12 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.66 2jy9 h GLN 80 CO 1.16 0.00 -0.17 1.49 -1.50 0.00 0.00 178.83 179.81 2jy9 h GLU 81 N 0.00 -0.46 -0.11 1.46 4.81 -1.96 0.37 114.58 118.69 2jy9 h GLU 81 Ca -0.00 0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 2jy9 h GLU 81 Cb 0.28 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2jy9 h GLU 81 CO 0.00 -0.31 -0.64 1.37 -0.73 0.00 0.00 179.01 178.71 2jy9 h LEU 82 N -0.48 0.45 -0.93 1.64 8.10 -1.92 -1.95 115.31 120.22 2jy9 h LEU 82 Ca -0.05 -0.27 -0.02 0.00 0.11 0.00 0.00 57.88 57.65 2jy9 h LEU 82 Cb 0.37 -0.13 -0.04 0.00 -0.44 0.00 0.00 40.66 40.42 2jy9 h LEU 82 CO 0.08 0.97 0.44 0.78 -4.11 0.00 0.00 178.44 176.59 2jy9 h ASN 83 N 0.29 1.08 0.15 0.17 2.35 -1.37 0.17 115.58 118.41 2jy9 h ASN 83 Ca -0.01 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 2jy9 h ASN 83 Cb 1.18 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.28 2jy9 h ASN 83 CO 0.11 0.89 -0.07 -0.09 -1.65 0.00 0.00 177.43 176.61 2jy9 h ARG 84 N 1.19 -0.19 -0.48 0.81 9.65 0.05 -1.61 114.38 123.80 2jy9 h ARG 84 Ca 0.29 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.23 2jy9 h ARG 84 Cb 0.07 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.65 2jy9 h ARG 84 CO -0.04 -0.07 0.23 0.93 2.80 0.00 0.00 179.97 183.82 2jy9 h GLU 85 N -0.27 0.45 -0.77 0.20 5.08 -1.08 -1.22 114.58 116.98 2jy9 h GLU 85 Ca -0.02 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2jy9 h GLU 85 Cb 0.21 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 2jy9 h GLU 85 CO 0.03 0.29 0.46 0.00 -1.00 0.00 0.00 179.01 178.80 2jy9 h ALA 86 N 1.27 0.98 -0.21 3.43 0.00 -0.85 0.38 119.26 124.25 2jy9 h ALA 86 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2jy9 h ALA 86 Cb 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2jy9 h ALA 86 CO -0.16 0.44 0.09 0.00 0.00 0.00 0.00 179.25 179.62 2jy9 h ALA 87 N 1.25 0.28 -0.05 0.00 0.00 -0.85 -0.44 119.26 119.44 2jy9 h ALA 87 Ca 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2jy9 h ALA 87 Cb -0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2jy9 h ALA 87 CO -0.05 -0.14 -0.01 0.82 0.00 0.00 0.00 179.25 179.87 2jy9 h ILE 88 N 0.20 1.27 -0.36 0.00 2.04 -0.90 -2.82 117.51 116.94 2jy9 h ILE 88 Ca 0.07 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2jy9 h ILE 88 Cb 0.16 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2jy9 h ILE 88 CO -0.01 0.23 0.18 0.00 0.00 0.00 0.00 178.15 178.56 2jy9 h ALA 89 N 0.68 1.65 -0.40 1.87 0.00 -0.23 -1.86 119.26 120.98 2jy9 h ALA 89 Ca 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2jy9 h ALA 89 Cb 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2jy9 h ALA 89 CO 0.00 0.29 0.07 -0.09 0.00 0.00 0.00 179.25 179.53 2jy9 h ARG 90 N 0.50 0.66 -0.20 0.00 1.12 -0.96 0.02 114.38 115.52 2jy9 h ARG 90 Ca 0.13 -0.17 -0.13 0.00 -1.11 0.00 0.00 59.98 58.70 2jy9 h ARG 90 Cb 0.04 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.91 2jy9 h ARG 90 CO -0.02 0.70 -0.42 1.37 -3.11 0.00 0.00 179.97 178.49 2jy9 h LEU 91 N 0.51 0.49 -0.73 3.80 8.10 -1.17 -0.77 115.31 125.56 2jy9 h LEU 91 Ca 0.12 -0.22 -0.09 0.00 0.11 0.00 0.00 57.88 57.81 2jy9 h LEU 91 Cb 0.36 -0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 40.41 2jy9 h LEU 91 CO 0.01 0.86 0.03 0.58 -4.11 0.00 0.00 178.44 175.80 2jy9 h VAL 92 N 0.38 1.26 -0.67 0.15 2.07 -1.16 -1.04 116.25 117.24 2jy9 h VAL 92 Ca 0.03 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 2jy9 h VAL 92 Cb 0.90 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2jy9 h VAL 92 CO 0.08 0.39 0.24 0.00 0.02 0.00 0.00 177.57 178.30 2jy9 h ALA 93 N 1.09 1.16 -0.80 1.67 0.00 -0.56 -2.11 119.26 119.71 2jy9 h ALA 93 Ca 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jy9 h ALA 93 Cb 0.50 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2jy9 h ALA 93 CO 0.02 0.60 0.50 0.28 0.00 0.00 0.00 179.25 180.64 2jy9 h VAL 94 N 0.98 1.22 -0.49 0.00 2.07 -0.64 0.00 116.25 119.39 2jy9 h VAL 94 Ca 0.22 -0.46 0.07 0.00 0.82 0.00 0.00 66.70 67.35 2jy9 h VAL 94 Cb 0.23 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.03 2jy9 h VAL 94 CO -0.02 0.23 0.17 0.40 0.02 0.00 0.00 177.57 178.37 2jy9 h ILE 95 N 1.09 0.82 -0.46 4.57 2.04 -0.58 0.24 117.51 125.25 2jy9 h ILE 95 Ca 0.29 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.99 2jy9 h ILE 95 Cb -0.06 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 2jy9 h ILE 95 CO -0.06 0.06 0.13 0.11 0.00 0.00 0.00 178.15 178.39 2jy9 h LYS 96 N 0.34 0.72 0.00 2.37 6.56 -0.77 -0.74 116.57 125.05 2jy9 h LYS 96 Ca 0.24 -0.16 -0.12 0.00 -1.06 0.00 0.00 60.65 59.55 2jy9 h LYS 96 Cb 0.26 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.80 2jy9 h LYS 96 CO -0.25 0.70 -0.55 1.05 -2.06 0.00 0.00 179.45 178.34 2jy9 h GLU 97 N 0.60 0.00 0.01 3.15 4.11 -0.53 -1.96 114.58 119.96 2jy9 h GLU 97 Ca 0.14 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.34 2jy9 h GLU 97 Cb 0.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2jy9 h GLU 97 CO -0.00 0.55 -1.21 -0.07 0.07 0.00 0.00 179.01 178.35 2jy9 h LEU 98 N 0.00 0.03 -1.48 3.06 -0.00 -0.44 -3.25 115.31 113.22 2jy9 h LEU 98 Ca -0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 2jy9 h LEU 98 Cb 1.15 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 2jy9 h LEU 98 CO 0.07 1.03 0.00 0.35 -0.00 0.00 0.00 178.44 179.89 2jy9 n THR 99 N -3.28 0.32 -2.51 0.22 -2.24 -0.29 -4.86 114.28 101.63 2jy9 n THR 99 Ca -0.05 -0.48 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 2jy9 n THR 99 Cb 0.98 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 2jy9 n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jy9 s ALA 100 N -1.68 3.64 -1.16 6.98 0.00 -0.74 -4.94 121.76 123.85 2jy9 s ALA 100 Ca 0.34 0.31 -0.21 0.00 0.00 0.00 0.00 51.96 52.39 2jy9 s ALA 100 Cb 0.19 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.72 2jy9 s ALA 100 CO 0.27 -1.20 1.69 -2.00 0.00 0.00 0.00 175.76 174.51 2jy9 s GLU 101 N 3.47 3.53 0.24 0.00 -6.30 -1.26 -4.89 118.70 113.49 2jy9 s GLU 101 Ca 0.51 -1.44 0.01 0.00 -2.50 0.00 0.00 54.97 51.55 2jy9 s GLU 101 Cb -0.19 -5.40 -0.04 0.00 0.00 0.00 0.00 34.13 28.51 2jy9 s GLU 101 CO 0.13 -2.57 0.13 -0.65 0.02 0.00 0.00 175.26 172.31 2jy9 s GLN 102 N 5.03 1.36 0.00 4.30 -0.21 -1.25 -3.46 119.66 125.42 2jy9 s GLN 102 Ca 0.55 -1.73 0.00 0.00 0.02 0.00 0.00 55.36 54.19 2jy9 s GLN 102 Cb 0.01 0.05 0.00 0.00 1.00 0.00 0.00 33.01 34.07 2jy9 s GLN 102 CO 0.02 -0.38 0.52 1.63 -2.12 0.00 0.00 175.29 174.96 2jy9 n LYS 103 N -0.40 0.85 -2.77 2.91 5.02 -0.28 -3.92 118.16 119.57 2jy9 n LYS 103 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 2jy9 n LYS 103 Cb 0.66 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 34.29 2jy9 n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2jy9 s SER 104 N 0.12 6.23 0.00 4.39 0.01 -1.26 -4.83 113.70 118.37 2jy9 s SER 104 Ca 0.00 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.27 2jy9 s SER 104 Cb 0.00 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2jy9 s SER 104 CO 0.00 -1.51 0.00 0.54 0.41 0.00 0.00 173.24 172.68 2jy9 n ARG 105 N 8.08 0.00 -1.20 12.44 1.74 -1.26 -4.99 116.66 131.47 2jy9 n ARG 105 Ca 0.03 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.27 2jy9 n ARG 105 Cb 0.47 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.87 2jy9 n ARG 105 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2jy9 n ARG 106 N -0.29 -2.43 0.00 5.56 0.63 -1.26 -4.67 116.66 114.19 2jy9 n ARG 106 Ca 0.00 1.61 0.00 0.00 -0.92 0.00 0.00 57.85 58.54 2jy9 n ARG 106 Cb 0.00 -2.96 0.00 0.00 0.45 0.00 0.00 32.46 29.95 2jy9 n ARG 106 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jy9 n ALA 107 N -2.12 0.00 0.04 5.13 0.00 -1.26 -4.36 120.51 117.95 2jy9 n ALA 107 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.47 2jy9 n ALA 107 Cb 0.55 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.04 2jy9 n ALA 107 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jy9 n THR 108 N -0.05 0.56 -4.21 0.00 -1.04 -1.26 -5.00 114.28 103.27 2jy9 n THR 108 Ca 0.00 -0.78 -0.34 0.00 -2.04 0.00 0.00 64.05 60.89 2jy9 n THR 108 Cb 0.00 0.76 -0.13 0.00 -1.82 0.00 0.00 70.33 69.15 2jy9 n THR 108 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2jy9 s ARG 109 N -0.73 3.59 -0.72 -2.82 0.52 -1.26 -5.04 118.95 112.49 2jy9 s ARG 109 Ca 0.08 -0.54 -0.26 0.00 -0.52 0.00 0.00 55.73 54.48 2jy9 s ARG 109 Cb 0.04 -2.98 0.00 0.00 0.52 0.00 0.00 34.95 32.53 2jy9 s ARG 109 CO 0.06 0.08 1.61 -2.14 0.02 0.00 0.00 175.30 174.93 2jy9 s PRO 110 N 0.79 2.91 0.25 3.54 0.02 -1.26 -4.79 135.00 136.46 2jy9 s PRO 110 Ca -0.01 0.07 -0.03 0.00 0.02 0.00 0.00 61.00 61.05 2jy9 s PRO 110 Cb -0.14 -4.43 -0.05 0.00 0.02 0.00 0.00 34.50 29.89 2jy9 s PRO 110 CO 0.02 -2.52 0.49 -0.08 -0.33 0.00 0.00 177.00 174.57 2jy9 s THR 111 N 7.55 5.10 0.16 0.99 -1.32 -1.26 -5.06 115.64 121.80 2jy9 s THR 111 Ca 0.53 -0.12 -0.31 0.00 -1.21 0.00 0.00 61.69 60.58 2jy9 s THR 111 Cb -0.09 -3.73 -0.08 0.00 -1.51 0.00 0.00 72.50 67.08 2jy9 s THR 111 CO 0.14 -0.26 1.35 -0.13 -2.21 0.00 0.00 174.62 173.52 2jy9 s ARG 112 N -3.46 4.35 -0.37 7.08 0.52 -1.26 -4.98 118.95 120.83 2jy9 s ARG 112 Ca 0.42 2.07 0.03 0.00 -0.52 0.00 0.00 55.73 57.73 2jy9 s ARG 112 Cb -0.11 -3.22 0.15 0.00 0.52 0.00 0.00 34.95 32.30 2jy9 s ARG 112 CO 0.30 -0.35 0.34 0.00 0.02 0.00 0.00 175.30 175.61 2jy9 s ALA 113 N 0.59 -0.09 -0.07 2.13 0.00 -1.25 -3.94 121.76 119.13 2jy9 s ALA 113 Ca 0.61 -1.24 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 2jy9 s ALA 113 Cb -0.37 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 2jy9 s ALA 113 CO 0.35 -2.14 -0.08 0.43 0.00 0.00 0.00 175.76 174.31 2jy9 n SER 114 N 4.11 1.16 -4.90 0.00 7.64 -1.26 -4.64 113.62 115.73 2jy9 n SER 114 Ca 0.12 0.06 -0.28 0.00 1.01 0.00 0.00 58.87 59.78 2jy9 n SER 114 Cb 0.43 -0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 2jy9 n SER 114 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jy9 s LYS 115 N -2.13 3.64 -0.30 1.43 1.02 -1.22 -4.81 119.74 117.37 2jy9 s LYS 115 Ca -0.10 0.08 -0.02 0.00 0.02 0.00 0.00 55.97 55.95 2jy9 s LYS 115 Cb 0.03 -2.58 0.19 0.00 -0.52 0.00 0.00 37.83 34.95 2jy9 s LYS 115 CO 0.13 0.14 0.74 -2.00 -0.92 0.00 0.00 175.35 173.44 2jy9 s GLU 116 N -3.72 0.43 -0.91 1.68 2.12 -1.26 -1.13 118.70 115.91 2jy9 s GLU 116 Ca 0.45 0.59 -0.21 0.00 0.36 0.00 0.00 54.97 56.17 2jy9 s GLU 116 Cb -0.11 0.30 0.10 0.00 0.26 0.00 0.00 34.13 34.69 2jy9 s GLU 116 CO 0.31 -0.65 1.19 1.03 -0.54 0.00 0.00 175.26 176.61 2jy9 s ARG 117 N 2.88 3.52 -0.23 4.30 0.52 -1.26 -4.99 118.95 123.69 2jy9 s ARG 117 Ca 0.15 -1.43 -0.06 0.00 -0.52 0.00 0.00 55.73 53.86 2jy9 s ARG 117 Cb -0.10 -4.92 -0.02 0.00 0.52 0.00 0.00 34.95 30.43 2jy9 s ARG 117 CO -0.21 -1.90 0.03 0.50 0.02 0.00 0.00 175.30 173.74 2jy9 s ARG 118 N 3.54 3.60 0.02 3.54 3.52 -1.26 -5.07 118.95 126.83 2jy9 s ARG 118 Ca 0.35 -0.51 -0.28 0.00 -0.13 0.00 0.00 55.73 55.16 2jy9 s ARG 118 Cb -0.05 -3.20 0.09 0.00 -1.56 0.00 0.00 34.95 30.23 2jy9 s ARG 118 CO -0.06 -0.13 0.76 -0.48 -0.81 0.00 0.00 175.30 174.58 2jy9 s LEU 119 N 1.41 -0.50 -0.20 -0.88 2.34 -1.26 -5.15 118.68 114.44 2jy9 s LEU 119 Ca 0.05 0.21 -0.06 0.00 0.06 0.00 0.00 54.13 54.39 2jy9 s LEU 119 Cb -0.15 2.30 0.10 0.00 -0.56 0.00 0.00 46.19 47.88 2jy9 s LEU 119 CO 0.02 -0.70 0.38 -0.44 -1.06 0.00 0.00 176.35 174.55 2jy9 s SER 120 N -2.11 -0.02 -0.59 1.48 0.01 -1.26 -5.11 113.70 106.10 2jy9 s SER 120 Ca -0.01 0.74 0.05 0.00 1.31 0.00 0.00 55.95 58.04 2jy9 s SER 120 Cb -0.01 1.18 0.17 0.00 0.21 0.00 0.00 66.02 67.57 2jy9 s SER 120 CO -0.05 -0.25 0.44 -0.55 0.41 0.00 0.00 173.24 173.24 2jy9 s SER 121 N 2.56 3.53 0.00 2.44 0.15 -1.26 -4.92 113.70 116.21 2jy9 s SER 121 Ca 0.02 -3.57 0.00 0.00 0.70 0.00 0.00 55.95 53.11 2jy9 s SER 121 Cb -0.13 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 2jy9 s SER 121 CO -0.13 -0.12 0.00 1.17 1.20 0.00 0.00 173.24 175.37 2jy9 n LYS 122 N 2.29 0.00 -4.54 5.44 3.00 -1.26 -5.17 118.16 117.92 2jy9 n LYS 122 Ca 0.24 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.31 2jy9 n LYS 122 Cb 0.40 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.26 2jy9 n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jy9 s ALA 123 N 0.00 1.19 -0.38 3.14 0.00 -1.26 -5.09 121.76 119.35 2jy9 s ALA 123 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.61 2jy9 s ALA 123 Cb 0.00 -0.53 0.16 0.00 0.00 0.00 0.00 23.12 22.74 2jy9 s ALA 123 CO 0.00 0.11 0.35 -1.14 0.00 0.00 0.00 175.76 175.08 2jy9 s GLN 124 N 0.63 0.68 -0.13 0.00 0.74 -1.26 -5.13 119.66 115.19 2jy9 s GLN 124 Ca -0.13 -1.18 -0.14 0.00 0.05 0.00 0.00 55.36 53.96 2jy9 s GLN 124 Cb -0.15 -0.93 -0.05 0.00 1.10 0.00 0.00 33.01 32.98 2jy9 s GLN 124 CO 0.03 -1.24 0.31 0.15 -0.55 0.00 0.00 175.29 174.00 2jy9 s LYS 125 N 1.10 4.16 -0.29 1.67 -0.14 -1.26 -5.05 119.74 119.92 2jy9 s LYS 125 Ca 0.20 0.15 0.01 0.00 -1.36 0.00 0.00 55.97 54.98 2jy9 s LYS 125 Cb -0.14 -3.38 0.15 0.00 -1.68 0.00 0.00 37.83 32.78 2jy9 s LYS 125 CO -0.04 0.33 0.37 -1.12 -0.76 0.00 0.00 175.35 174.13 2jy9 s SER 126 N 0.16 0.81 -0.29 2.83 0.01 -1.26 -5.11 113.70 110.86 2jy9 s SER 126 Ca 0.18 -0.51 -0.00 0.00 1.31 0.00 0.00 55.95 56.93 2jy9 s SER 126 Cb -0.14 0.91 0.14 0.00 0.21 0.00 0.00 66.02 67.14 2jy9 s SER 126 CO 0.06 -0.37 0.29 -0.55 0.41 0.00 0.00 173.24 173.08 2jy9 s SER 127 N 2.48 1.70 -0.36 2.44 0.15 -1.26 -5.08 113.70 113.78 2jy9 s SER 127 Ca 0.10 -0.77 0.01 0.00 0.70 0.00 0.00 55.95 55.98 2jy9 s SER 127 Cb -0.13 0.50 0.15 0.00 -1.71 0.00 0.00 66.02 64.82 2jy9 s SER 127 CO -0.31 -0.39 0.25 0.68 1.20 0.00 0.00 173.24 174.67 2jy9 s VAL 128 N 2.35 0.09 -0.30 4.45 -7.23 -1.26 -5.09 120.40 113.41 2jy9 s VAL 128 Ca 0.09 -1.74 -0.13 0.00 -1.81 0.00 0.00 61.98 58.40 2jy9 s VAL 128 Cb -0.14 -1.06 0.14 0.00 0.56 0.00 0.00 36.38 35.88 2jy9 s VAL 128 CO -0.33 -0.96 0.81 -0.75 -0.31 0.00 0.00 175.10 173.56 2jy9 s LYS 129 N 0.98 0.45 0.09 4.82 2.20 -1.26 -5.17 119.74 121.85 2jy9 s LYS 129 Ca 0.20 1.10 -0.11 0.00 -0.36 0.00 0.00 55.97 56.80 2jy9 s LYS 129 Cb -0.18 0.62 0.01 0.00 -1.51 0.00 0.00 37.83 36.77 2jy9 s LYS 129 CO -0.02 -0.15 0.26 0.00 -0.36 0.00 0.00 175.35 175.08 2jy9 s ALA 130 N 2.58 -0.49 -0.26 3.13 0.00 -1.26 -5.17 121.76 120.29 2jy9 s ALA 130 Ca -0.05 -0.35 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 2jy9 s ALA 130 Cb -0.09 0.51 0.08 0.00 0.00 0.00 0.00 23.12 23.62 2jy9 s ALA 130 CO -0.18 -0.52 0.63 -0.48 0.00 0.00 0.00 175.76 175.21 2jy9 s LEU 131 N -2.69 -0.83 -0.02 0.00 0.05 -1.26 -5.16 118.68 108.78 2jy9 s LEU 131 Ca 0.02 1.41 0.01 0.00 0.05 0.00 0.00 54.13 55.62 2jy9 s LEU 131 Cb 0.03 2.18 0.02 0.00 -2.05 0.00 0.00 46.19 46.37 2jy9 s LEU 131 CO -0.10 -0.23 -0.01 -0.13 -0.55 0.00 0.00 176.35 175.33 2jy9 s ARG 132 N 1.77 0.33 0.00 1.48 0.52 -1.26 -5.11 118.95 116.68 2jy9 s ARG 132 Ca -0.09 0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 2jy9 s ARG 132 Cb -0.07 -0.44 0.00 0.00 0.52 0.00 0.00 34.95 34.96 2jy9 s ARG 132 CO -0.19 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.47 2jy9 n GLY 133 N 3.81 0.92 2.92 -3.53 0.00 -1.26 -5.16 105.19 102.89 2jy9 n GLY 133 Ca -0.23 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 2jy9 n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jy9 s LYS 134 N 0.00 0.08 0.31 1.61 -0.14 -1.26 -5.17 119.74 115.17 2jy9 s LYS 134 Ca 0.00 0.28 0.07 0.00 -1.36 0.00 0.00 55.97 54.96 2jy9 s LYS 134 Cb 0.00 -0.12 -0.02 0.00 -1.68 0.00 0.00 37.83 36.00 2jy9 s LYS 134 CO 0.00 -0.12 0.37 0.14 -0.76 0.00 0.00 175.35 174.97 2jy9 s VAL 135 N 0.84 4.19 -0.09 3.17 -7.23 -1.26 -5.12 120.40 114.91 2jy9 s VAL 135 Ca -0.07 -1.15 0.04 0.00 -1.81 0.00 0.00 61.98 59.00 2jy9 s VAL 135 Cb -0.09 -3.43 -0.00 0.00 0.56 0.00 0.00 36.38 33.42 2jy9 s VAL 135 CO -0.04 -0.22 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.17 2jy9 s ARG 136 N -4.05 2.91 -0.42 4.82 1.81 -1.26 -5.10 118.95 117.66 2jy9 s ARG 136 Ca 0.40 -0.86 0.00 0.00 -1.72 0.00 0.00 55.73 53.56 2jy9 s ARG 136 Cb -0.08 -2.23 0.11 0.00 -0.45 0.00 0.00 34.95 32.30 2jy9 s ARG 136 CO 0.29 0.20 0.18 1.03 -0.68 0.00 0.00 175.30 176.32 2jy9 s ARG 137 N 0.30 1.89 0.09 3.54 0.52 -1.26 -5.10 118.95 118.92 2jy9 s ARG 137 Ca -0.17 -2.01 -0.23 0.00 -0.52 0.00 0.00 55.73 52.80 2jy9 s ARG 137 Cb -0.17 -3.45 -0.07 0.00 0.52 0.00 0.00 34.95 31.78 2jy9 s ARG 137 CO 0.08 -1.04 0.70 -1.25 0.02 0.00 0.00 175.30 173.81 2jy9 s PRO 138 N 0.77 4.43 0.15 3.54 0.05 -1.26 -5.09 135.00 137.60 2jy9 s PRO 138 Ca 0.11 0.98 0.08 0.00 0.05 0.00 0.00 61.00 62.21 2jy9 s PRO 138 Cb -0.22 -3.29 -0.04 0.00 0.05 0.00 0.00 34.50 31.00 2jy9 s PRO 138 CO -0.05 0.48 -0.05 -0.51 0.05 0.00 0.00 177.00 176.92 2jy9 s LEU 139 N -0.72 3.16 -0.11 -3.56 1.02 -1.26 -5.13 118.68 112.09 2jy9 s LEU 139 Ca 0.34 -0.43 0.02 0.00 0.02 0.00 0.00 54.13 54.08 2jy9 s LEU 139 Cb -0.21 -1.86 -0.01 0.00 0.02 0.00 0.00 46.19 44.13 2jy9 s LEU 139 CO 0.22 0.12 -0.18 -0.62 0.02 0.00 0.00 176.35 175.92 2jy9 s ASP 140 N -2.69 3.64 -0.28 2.29 -1.08 -1.26 -5.10 116.67 112.18 2jy9 s ASP 140 Ca 0.25 -0.41 -0.05 0.00 -0.52 0.00 0.00 52.55 51.82 2jy9 s ASP 140 Cb -0.10 -1.45 0.15 0.00 -1.46 0.00 0.00 42.92 40.06 2jy9 s ASP 140 CO 0.16 0.18 0.57 -0.22 0.52 0.00 0.00 175.17 176.38 2jy9 s LEU 141 N 0.25 -1.12 -0.27 -1.34 0.20 -1.26 -5.11 118.68 110.03 2jy9 s LEU 141 Ca -0.12 1.05 -0.04 0.00 0.69 0.00 0.00 54.13 55.72 2jy9 s LEU 141 Cb -0.16 1.98 0.15 0.00 -0.43 0.00 0.00 46.19 47.73 2jy9 s LEU 141 CO 0.06 -0.25 0.51 -0.70 -0.29 0.00 0.00 176.35 175.69 2jy9 s GLU 142 N 2.80 0.46 -1.09 1.98 2.12 -1.26 -5.08 118.70 118.64 2jy9 s GLU 142 Ca 0.08 0.92 -0.16 0.00 0.36 0.00 0.00 54.97 56.17 2jy9 s GLU 142 Cb -0.14 0.23 0.16 0.00 0.26 0.00 0.00 34.13 34.64 2jy9 s GLU 142 CO -0.19 -0.52 1.29 -1.58 -0.54 0.00 0.00 175.26 173.73 2jy9 s HIS 143 N 2.73 3.37 -0.53 5.30 5.65 -1.26 -4.97 115.29 125.57 2jy9 s HIS 143 Ca 0.11 -1.85 -0.28 0.00 0.25 0.00 0.00 55.06 53.30 2jy9 s HIS 143 Cb -0.14 -4.28 0.03 0.00 -1.18 0.00 0.00 32.58 27.00 2jy9 s HIS 143 CO -0.18 -1.42 1.11 -1.58 -0.65 0.00 0.00 174.74 172.03 2jy9 s HIS 144 N 1.94 2.72 -0.05 3.88 2.46 -1.26 -5.01 115.29 119.97 2jy9 s HIS 144 Ca 0.38 0.43 0.02 0.00 0.47 0.00 0.00 55.06 56.37 2jy9 s HIS 144 Cb -0.04 -4.37 -0.03 0.00 -0.13 0.00 0.00 32.58 28.01 2jy9 s HIS 144 CO -0.04 -1.41 -0.10 -1.58 -2.47 0.00 0.00 174.74 169.13 2jy9 s HIS 145 N 4.54 2.82 0.00 3.88 2.46 -1.26 -5.12 115.29 122.61 2jy9 s HIS 145 Ca 0.42 -0.07 0.00 0.00 0.47 0.00 0.00 55.06 55.88 2jy9 s HIS 145 Cb -0.08 -1.66 0.00 0.00 -0.13 0.00 0.00 32.58 30.71 2jy9 s HIS 145 CO 0.26 0.28 0.00 0.72 -2.47 0.00 0.00 174.74 173.53 2jy9 n HIS 146 N 2.15 -1.16 -3.59 3.88 8.25 -1.26 -5.13 115.22 118.36 2jy9 n HIS 146 Ca -0.17 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.02 2jy9 n HIS 146 Cb 0.53 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.47 2jy9 n HIS 146 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jy9 s HIS 147 N 0.14 0.22 -2.34 4.41 2.46 -1.26 -5.33 115.29 113.59 2jy9 s HIS 147 Ca 0.00 -0.49 0.29 0.00 0.47 0.00 0.00 55.06 55.34 2jy9 s HIS 147 Cb 0.00 -0.75 1.33 0.00 -0.13 0.00 0.00 32.58 33.03 2jy9 s HIS 147 CO 0.00 -0.61 1.90 0.72 -2.47 0.00 0.00 174.74 174.28