#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yj9 s GLU 2 N 0.00 3.40 0.12 0.03 2.12 -1.26 -5.04 118.70 118.07 1yj9 s GLU 2 Ca 0.00 -0.32 -0.35 0.00 0.36 0.00 0.00 54.97 54.66 1yj9 s GLU 2 Cb 0.00 -3.08 -0.16 0.00 0.26 0.00 0.00 34.13 31.14 1yj9 s GLU 2 CO 0.00 0.68 1.26 0.00 -0.54 0.00 0.00 175.26 176.66 1yj9 n ALA 3 N 1.06 -1.03 0.12 6.30 0.00 -1.26 -4.86 120.51 120.84 1yj9 n ALA 3 Ca -0.12 0.50 -0.02 0.00 0.00 0.00 0.00 53.44 53.80 1yj9 n ALA 3 Cb 0.53 -2.04 0.09 0.00 0.00 0.00 0.00 19.45 18.03 1yj9 n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1yj9 h LEU 4 N 4.03 0.00 -0.96 0.00 3.38 -1.96 -3.47 115.31 116.32 1yj9 h LEU 4 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1yj9 h LEU 4 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1yj9 h LEU 4 CO 0.74 0.70 0.00 0.61 0.09 0.00 0.00 178.44 180.58 1yj9 n GLY 5 N 0.63 0.94 0.00 0.83 0.00 -1.26 -4.67 105.19 101.66 1yj9 n GLY 5 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1yj9 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yj9 n ALA 6 N -2.45 0.00 -2.70 4.61 0.00 -1.26 -4.46 120.51 114.26 1yj9 n ALA 6 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1yj9 n ALA 6 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 1yj9 n ALA 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yj9 s ASP 7 N 0.00 7.25 -0.14 0.00 1.01 0.34 -4.91 116.67 120.22 1yj9 s ASP 7 Ca 0.00 1.53 -0.01 0.00 0.71 0.00 0.00 52.55 54.78 1yj9 s ASP 7 Cb 0.00 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 1yj9 s ASP 7 CO 0.00 -0.35 -0.12 -0.69 0.21 0.00 0.00 175.17 174.22 1yj9 s VAL 8 N 1.56 3.07 -0.47 -1.27 1.01 -1.26 -0.88 120.40 122.16 1yj9 s VAL 8 Ca 0.48 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 1yj9 s VAL 8 Cb -0.19 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 33.93 1yj9 s VAL 8 CO 0.21 0.51 0.61 -0.89 0.00 0.00 0.00 175.10 175.55 1yj9 s THR 9 N 0.51 4.88 0.23 3.92 2.01 -1.26 -5.01 115.64 120.92 1yj9 s THR 9 Ca -0.08 -0.21 -0.32 0.00 0.31 0.00 0.00 61.69 61.39 1yj9 s THR 9 Cb -0.16 -4.23 -0.13 0.00 0.01 0.00 0.00 72.50 67.99 1yj9 s THR 9 CO 0.04 -0.67 1.46 0.00 -0.69 0.00 0.00 174.62 174.76 1yj9 n GLN 10 N 6.15 2.13 -0.05 4.92 3.00 -1.26 -4.84 117.38 127.42 1yj9 n GLN 10 Ca -0.04 0.76 0.03 0.00 -0.01 0.00 0.00 57.00 57.73 1yj9 n GLN 10 Cb 0.47 -2.45 0.05 0.00 0.00 0.00 0.00 30.24 28.31 1yj9 n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1yj9 n GLY 11 N 2.39 1.21 3.38 1.08 0.00 -1.04 -4.90 105.19 107.31 1yj9 n GLY 11 Ca 0.12 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1yj9 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yj9 s LEU 12 N -0.77 2.43 0.11 0.99 1.43 0.12 -4.92 118.68 118.08 1yj9 s LEU 12 Ca 0.09 -0.86 0.05 0.00 -1.03 0.00 0.00 54.13 52.38 1yj9 s LEU 12 Cb 0.05 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1yj9 s LEU 12 CO 0.08 0.05 -0.13 -1.61 0.23 0.00 0.00 176.35 174.96 1yj9 s GLU 13 N -2.72 0.95 0.02 1.70 2.02 -1.26 0.22 118.70 119.62 1yj9 s GLU 13 Ca 0.18 -1.18 -0.34 0.00 0.02 0.00 0.00 54.97 53.64 1yj9 s GLU 13 Cb -0.07 -0.79 -0.13 0.00 0.10 0.00 0.00 34.13 33.24 1yj9 s GLU 13 CO 0.08 0.15 1.72 1.17 0.02 0.00 0.00 175.26 178.40 1yj9 n LYS 14 N 0.62 2.08 0.00 1.61 4.81 -0.37 -0.53 118.16 126.38 1yj9 n LYS 14 Ca -0.16 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1yj9 n LYS 14 Cb 0.57 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 33.07 1yj9 n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yj9 n GLY 15 N 3.89 0.55 3.77 3.14 0.00 0.27 -4.95 105.19 111.85 1yj9 n GLY 15 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1yj9 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yj9 s SER 16 N -1.99 6.72 -0.30 1.61 0.01 0.31 -4.73 113.70 115.33 1yj9 s SER 16 Ca 0.00 2.25 -0.10 0.00 1.31 0.00 0.00 55.95 59.41 1yj9 s SER 16 Cb 0.00 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 1yj9 s SER 16 CO 0.00 -0.53 0.16 -0.76 0.41 0.00 0.00 173.24 172.52 1yj9 s LEU 17 N -2.35 4.04 0.00 2.44 1.43 -1.26 -0.97 118.68 122.01 1yj9 s LEU 17 Ca 0.55 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1yj9 s LEU 17 Cb -0.28 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 1yj9 s LEU 17 CO 0.36 -0.15 0.02 2.30 0.23 0.00 0.00 176.35 179.12 1yj9 n ILE 18 N 5.00 0.00 -4.11 -0.59 -5.35 0.69 -4.94 119.36 110.07 1yj9 n ILE 18 Ca -0.14 -1.94 -0.35 0.00 -0.27 0.00 0.00 62.75 60.05 1yj9 n ILE 18 Cb 0.50 0.45 -0.07 0.00 -1.74 0.00 0.00 39.64 38.78 1yj9 n ILE 18 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1yj9 s THR 19 N -2.55 4.86 -0.63 7.28 -4.23 -0.80 -0.31 115.64 119.26 1yj9 s THR 19 Ca 0.04 -0.18 -0.21 0.00 -1.18 0.00 0.00 61.69 60.15 1yj9 s THR 19 Cb 0.00 -3.15 0.08 0.00 1.34 0.00 0.00 72.50 70.78 1yj9 s THR 19 CO 0.02 0.49 0.87 0.00 -0.54 0.00 0.00 174.62 175.47 1yj9 n ALA 21 N 7.23 4.88 -3.68 0.00 0.00 0.16 -4.80 120.51 124.28 1yj9 n ALA 21 Ca -0.06 -3.15 0.09 0.00 0.00 0.00 0.00 53.44 50.32 1yj9 n ALA 21 Cb 0.44 -3.41 0.01 0.00 0.00 0.00 0.00 19.45 16.49 1yj9 n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1yj9 n ASP 22 N 5.71 -1.05 -0.78 0.00 5.68 -1.26 -2.70 116.55 122.16 1yj9 n ASP 22 Ca 0.53 -1.40 0.12 0.00 -0.50 0.00 0.00 54.79 53.53 1yj9 n ASP 22 Cb 0.30 1.67 0.06 0.00 -1.14 0.00 0.00 41.12 42.01 1yj9 n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1yj9 n ASN 23 N -0.95 2.62 -0.65 -1.12 6.94 -1.20 -4.63 115.26 116.28 1yj9 n ASN 23 Ca 0.01 -1.81 0.49 0.00 -0.02 0.00 0.00 54.58 53.25 1yj9 n ASN 23 Cb 0.42 0.18 0.76 0.00 -2.36 0.00 0.00 39.78 38.78 1yj9 n ASN 23 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1yj9 n THR 24 N 0.82 0.00 0.00 5.53 -2.24 -1.26 -4.63 114.28 112.51 1yj9 n THR 24 Ca 0.12 1.38 0.00 0.00 -2.27 0.00 0.00 64.05 63.28 1yj9 n THR 24 Cb 0.55 -2.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.47 1yj9 n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yj9 n GLY 25 N -1.86 1.04 3.65 3.38 0.00 -1.26 -4.96 105.19 105.18 1yj9 n GLY 25 Ca 0.41 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 1yj9 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yj9 s ALA 26 N -2.00 3.57 0.00 4.61 0.00 -1.26 -1.60 121.76 125.07 1yj9 s ALA 26 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1yj9 s ALA 26 Cb 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1yj9 s ALA 26 CO 0.00 -0.41 0.00 0.54 0.00 0.00 0.00 175.76 175.89 1yj9 n ARG 27 N 4.74 0.00 -3.74 0.00 1.74 -0.42 -4.55 116.66 114.43 1yj9 n ARG 27 Ca -0.09 0.11 -0.36 0.00 -0.77 0.00 0.00 57.85 56.73 1yj9 n ARG 27 Cb 0.51 -0.52 -0.07 0.00 -1.02 0.00 0.00 32.46 31.36 1yj9 n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1yj9 s GLU 28 N -0.75 3.89 0.23 5.56 2.12 -1.17 -0.21 118.70 128.37 1yj9 s GLU 28 Ca 0.00 -0.09 0.10 0.00 0.36 0.00 0.00 54.97 55.34 1yj9 s GLU 28 Cb 0.00 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 1yj9 s GLU 28 CO 0.00 0.51 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.61 1yj9 s LEU 29 N -0.27 2.91 -0.13 2.70 1.43 0.57 -1.07 118.68 124.82 1yj9 s LEU 29 Ca 0.13 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1yj9 s LEU 29 Cb -0.12 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.62 1yj9 s LEU 29 CO 0.02 0.06 -0.11 -0.75 0.23 0.00 0.00 176.35 175.80 1yj9 s LYS 30 N -3.26 1.95 0.30 1.70 2.20 -0.28 -0.22 119.74 122.13 1yj9 s LYS 30 Ca 0.28 -0.42 -0.29 0.00 -0.36 0.00 0.00 55.97 55.17 1yj9 s LYS 30 Cb -0.07 -1.87 -0.10 0.00 -1.51 0.00 0.00 37.83 34.28 1yj9 s LYS 30 CO 0.16 -0.24 1.40 0.08 -0.36 0.00 0.00 175.35 176.38 1yj9 s VAL 31 N 1.57 2.59 0.00 4.02 1.01 -0.14 -1.41 120.40 128.04 1yj9 s VAL 31 Ca 0.05 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1yj9 s VAL 31 Cb -0.13 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1yj9 s VAL 31 CO -0.09 0.11 0.00 -0.38 0.00 0.00 0.00 175.10 174.74 1yj9 n ILE 32 N 1.49 0.00 -3.83 2.22 5.41 -0.83 -0.57 119.36 123.25 1yj9 n ILE 32 Ca 0.03 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.69 1yj9 n ILE 32 Cb 0.41 -0.51 -0.04 0.00 -0.71 0.00 0.00 39.64 38.78 1yj9 n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1yj9 s SER 33 N -3.99 -0.19 -0.22 4.38 0.01 -1.24 -4.81 113.70 107.64 1yj9 s SER 33 Ca 0.00 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.65 1yj9 s SER 33 Cb 0.00 0.58 0.04 0.00 0.21 0.00 0.00 66.02 66.85 1yj9 s SER 33 CO 0.00 -1.08 -0.12 -0.69 0.41 0.00 0.00 173.24 171.76 1yj9 s VAL 34 N -3.92 1.90 0.20 3.43 1.01 -1.26 -0.58 120.40 121.19 1yj9 s VAL 34 Ca 0.13 -1.21 -0.31 0.00 0.00 0.00 0.00 61.98 60.59 1yj9 s VAL 34 Cb -0.01 -1.94 -0.16 0.00 0.00 0.00 0.00 36.38 34.28 1yj9 s VAL 34 CO 0.01 0.17 0.95 1.57 0.00 0.00 0.00 175.10 177.79 1yj9 n HIS 35 N 4.59 0.80 -0.68 5.22 -0.00 -0.18 -1.78 115.22 123.18 1yj9 n HIS 35 Ca -0.16 0.79 0.00 0.00 0.46 0.00 0.00 57.72 58.81 1yj9 n HIS 35 Cb 0.46 -2.18 0.00 0.00 -0.12 0.00 0.00 29.99 28.15 1yj9 n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yj9 n GLY 36 N 1.72 0.04 3.86 1.57 0.00 -1.26 -4.84 105.19 106.29 1yj9 n GLY 36 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1yj9 n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yj9 s TYR 37 N -1.12 3.64 -0.03 1.61 5.04 -0.73 -5.08 117.35 120.66 1yj9 s TYR 37 Ca 0.00 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 55.32 1yj9 s TYR 37 Cb 0.00 -2.08 0.03 0.00 0.35 0.00 0.00 41.96 40.26 1yj9 s TYR 37 CO 0.00 0.68 0.01 -1.54 -1.34 0.00 0.00 175.55 173.36 1yj9 s SER 38 N -0.97 0.46 0.00 4.32 1.04 -1.26 -4.88 113.70 112.40 1yj9 s SER 38 Ca 0.18 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1yj9 s SER 38 Cb -0.14 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.77 1yj9 s SER 38 CO 0.07 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1yj9 n GLY 39 N 4.22 1.16 3.33 7.32 0.00 -1.26 -5.12 105.19 114.84 1yj9 n GLY 39 Ca -0.25 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.57 1yj9 n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yj9 s THR 40 N 2.24 0.03 -0.05 2.61 -1.32 -1.26 -5.07 115.64 112.82 1yj9 s THR 40 Ca 0.00 -0.28 -0.35 0.00 -1.21 0.00 0.00 61.69 59.84 1yj9 s THR 40 Cb 0.00 -0.71 -0.17 0.00 -1.51 0.00 0.00 72.50 70.10 1yj9 s THR 40 CO 0.00 -0.16 0.97 1.17 -2.21 0.00 0.00 174.62 174.40 1yj9 n LYS 41 N 1.41 0.00 0.00 7.08 4.81 -1.26 -0.39 118.16 129.82 1yj9 n LYS 41 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 1yj9 n LYS 41 Cb 0.56 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 34.32 1yj9 n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1yj9 n ASN 42 N 1.53 0.00 -4.67 3.14 3.02 -1.26 -4.99 115.26 112.03 1yj9 n ASN 42 Ca 0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.31 1yj9 n ASN 42 Cb 0.06 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 1yj9 n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1yj9 s ARG 43 N 0.00 4.27 -0.15 3.52 3.52 0.48 -4.99 118.95 125.61 1yj9 s ARG 43 Ca 0.00 1.79 -0.29 0.00 -0.13 0.00 0.00 55.73 57.10 1yj9 s ARG 43 Cb 0.00 -3.68 -0.01 0.00 -1.56 0.00 0.00 34.95 29.69 1yj9 s ARG 43 CO 0.00 -0.61 1.21 -0.51 -0.81 0.00 0.00 175.30 174.58 1yj9 s LEU 44 N 2.91 4.19 -0.13 -0.88 1.43 -1.26 -4.60 118.68 120.34 1yj9 s LEU 44 Ca 0.59 1.67 -0.39 0.00 -1.03 0.00 0.00 54.13 54.98 1yj9 s LEU 44 Cb -0.26 -3.54 -0.16 0.00 0.03 0.00 0.00 46.19 42.25 1yj9 s LEU 44 CO 0.21 -0.70 1.56 -0.81 0.23 0.00 0.00 176.35 176.84 1yj9 n PRO 45 N 6.24 1.09 -4.03 1.29 -0.04 -1.26 -4.79 135.00 133.49 1yj9 n PRO 45 Ca 0.13 0.40 -0.32 0.00 -0.04 0.00 0.00 63.50 63.66 1yj9 n PRO 45 Cb 0.45 -2.05 -0.06 0.00 -0.04 0.00 0.00 33.50 31.80 1yj9 n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1yj9 s LYS 46 N 2.23 3.14 0.02 0.54 -2.85 -1.26 -1.24 119.74 120.33 1yj9 s LYS 46 Ca 0.93 -0.50 0.02 0.00 -1.00 0.00 0.00 55.97 55.42 1yj9 s LYS 46 Cb -1.04 -2.90 -0.02 0.00 -2.06 0.00 0.00 37.83 31.81 1yj9 s LYS 46 CO 0.59 0.63 -0.07 0.00 0.10 0.00 0.00 175.35 176.59 1yj9 s ALA 47 N -1.31 0.54 0.11 0.59 0.00 0.13 -4.91 121.76 116.92 1yj9 s ALA 47 Ca 0.27 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 1yj9 s ALA 47 Cb -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1yj9 s ALA 47 CO 0.19 0.04 0.15 0.41 0.00 0.00 0.00 175.76 176.54 1yj9 n GLY 48 N 2.03 2.84 3.66 0.00 0.00 -1.26 0.10 105.19 112.55 1yj9 n GLY 48 Ca -0.19 -1.45 -0.44 0.00 0.00 0.00 0.00 46.02 43.93 1yj9 n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yj9 n LEU 49 N 0.00 2.85 0.00 0.99 4.77 -1.26 -1.81 117.00 122.54 1yj9 n LEU 49 Ca 0.00 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.15 1yj9 n LEU 49 Cb 0.18 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.87 1yj9 n LEU 49 CO 0.09 -0.73 0.00 0.61 -1.33 0.00 0.00 177.39 176.03 1yj9 n GLY 50 N 1.55 1.68 3.86 -0.72 0.00 -0.89 -4.99 105.19 105.67 1yj9 n GLY 50 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1yj9 n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yj9 s ASP 51 N -3.29 6.70 -0.35 1.61 1.01 -0.75 -4.90 116.67 116.70 1yj9 s ASP 51 Ca 0.00 1.23 -0.09 0.00 0.71 0.00 0.00 52.55 54.40 1yj9 s ASP 51 Cb 0.00 -2.36 0.03 0.00 1.01 0.00 0.00 42.92 41.60 1yj9 s ASP 51 CO 0.00 -0.26 0.15 -0.75 0.21 0.00 0.00 175.17 174.52 1yj9 s LYS 52 N -3.21 2.81 0.27 8.23 2.20 -1.26 -2.13 119.74 126.65 1yj9 s LYS 52 Ca 0.53 -1.07 0.09 0.00 -0.36 0.00 0.00 55.97 55.16 1yj9 s LYS 52 Cb -0.10 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 1yj9 s LYS 52 CO 0.21 -0.64 0.07 0.96 -0.36 0.00 0.00 175.35 175.59 1yj9 s ILE 53 N 1.49 3.75 0.19 5.43 -4.36 -0.86 -1.01 121.20 125.83 1yj9 s ILE 53 Ca 0.01 -1.74 -0.06 0.00 -0.26 0.00 0.00 60.65 58.60 1yj9 s ILE 53 Cb -0.19 -3.03 -0.06 0.00 1.25 0.00 0.00 42.46 40.43 1yj9 s ILE 53 CO 0.05 -0.36 0.45 -0.89 0.24 0.00 0.00 174.94 174.43 1yj9 s THR 54 N -2.27 5.08 0.12 8.37 2.01 0.26 -1.68 115.64 127.54 1yj9 s THR 54 Ca 0.32 0.13 -0.06 0.00 0.31 0.00 0.00 61.69 62.39 1yj9 s THR 54 Cb -0.07 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 1yj9 s THR 54 CO 0.22 -0.06 0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 1yj9 s VAL 55 N -1.77 0.11 -0.05 3.82 1.01 0.19 -1.97 120.40 121.75 1yj9 s VAL 55 Ca 0.43 -1.47 0.06 0.00 0.00 0.00 0.00 61.98 61.00 1yj9 s VAL 55 Cb -0.12 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1yj9 s VAL 55 CO 0.25 -0.52 -0.22 -0.55 0.00 0.00 0.00 175.10 174.06 1yj9 s SER 56 N -2.94 2.67 -0.34 3.32 0.15 -0.50 -0.93 113.70 115.12 1yj9 s SER 56 Ca 0.14 -0.44 -0.26 0.00 0.70 0.00 0.00 55.95 56.09 1yj9 s SER 56 Cb 0.05 -0.68 0.01 0.00 -1.71 0.00 0.00 66.02 63.69 1yj9 s SER 56 CO -0.04 0.21 0.93 -0.69 1.20 0.00 0.00 173.24 174.85 1yj9 s VAL 57 N -0.13 4.63 -0.14 4.45 1.01 -0.84 -1.12 120.40 128.26 1yj9 s VAL 57 Ca -0.02 1.34 -0.17 0.00 0.00 0.00 0.00 61.98 63.13 1yj9 s VAL 57 Cb -0.12 -4.30 -0.25 0.00 0.00 0.00 0.00 36.38 31.71 1yj9 s VAL 57 CO 0.03 -0.43 0.46 0.74 0.00 0.00 0.00 175.10 175.89 1yj9 h THR 58 N 5.73 1.01 -3.73 3.92 2.02 -1.42 -2.64 112.91 117.80 1yj9 h THR 58 Ca -0.23 -2.33 -0.43 0.00 0.77 0.00 0.00 66.41 64.20 1yj9 h THR 58 Cb 1.08 2.61 -0.20 0.00 -1.74 0.00 0.00 68.15 69.90 1yj9 h THR 58 CO 0.97 0.61 -0.77 -0.54 0.37 0.00 0.00 175.52 176.16 1yj9 s LYS 59 N -2.43 0.97 0.00 6.66 1.02 -1.00 -4.90 119.74 120.06 1yj9 s LYS 59 Ca -0.22 -1.14 0.00 0.00 0.02 0.00 0.00 55.97 54.63 1yj9 s LYS 59 Cb 0.04 -0.92 0.00 0.00 -0.52 0.00 0.00 37.83 36.43 1yj9 s LYS 59 CO 0.71 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 175.74 1yj9 n GLY 60 N 0.83 0.88 3.63 -3.33 0.00 -1.26 -1.31 105.19 104.62 1yj9 n GLY 60 Ca -0.18 -1.99 -0.44 0.00 0.00 0.00 0.00 46.02 43.42 1yj9 n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yj9 n THR 61 N 6.17 1.98 -0.21 2.61 -2.24 -0.63 -4.65 114.28 117.31 1yj9 n THR 61 Ca 0.00 -0.49 0.31 0.00 -2.27 0.00 0.00 64.05 61.59 1yj9 n THR 61 Cb 0.00 -1.20 0.71 0.00 -2.10 0.00 0.00 70.33 67.74 1yj9 n THR 61 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1yj9 h PRO 62 N 2.21 0.00 0.14 -0.78 0.11 -1.95 0.11 132.00 131.84 1yj9 h PRO 62 Ca -0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1yj9 h PRO 62 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1yj9 h PRO 62 CO 0.61 0.00 -0.07 0.93 -0.21 0.00 0.00 178.00 179.27 1yj9 h GLU 63 N 0.00 -0.18 0.00 1.05 4.39 -1.96 -3.26 114.58 114.61 1yj9 h GLU 63 Ca 0.47 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 60.13 1yj9 h GLU 63 Cb 2.09 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.78 1yj9 h GLU 63 CO -0.00 0.05 -0.30 0.52 -1.16 0.00 0.00 179.01 178.12 1yj9 h MET 64 N -0.40 0.00 -6.85 2.33 2.86 -1.14 -3.47 114.93 108.26 1yj9 h MET 64 Ca -0.02 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.08 1yj9 h MET 64 Cb 0.32 0.00 0.10 0.00 0.06 0.00 0.00 31.60 32.08 1yj9 h MET 64 CO 0.03 0.23 0.81 0.54 1.06 0.00 0.00 176.91 179.58 1yj9 n ARG 65 N -3.13 2.64 -0.44 1.72 1.74 -0.60 -2.71 116.66 115.87 1yj9 n ARG 65 Ca 0.03 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.04 1yj9 n ARG 65 Cb 0.63 -2.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.39 1yj9 n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1yj9 n ARG 66 N 1.31 0.00 -2.76 5.56 1.74 -0.99 -4.98 116.66 116.54 1yj9 n ARG 66 Ca 0.05 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.79 1yj9 n ARG 66 Cb 0.37 -1.93 -0.06 0.00 -1.02 0.00 0.00 32.46 29.82 1yj9 n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1yj9 s GLN 67 N -0.01 4.30 -0.50 5.56 -0.21 -1.10 -4.75 119.66 122.96 1yj9 s GLN 67 Ca 0.00 1.24 -0.12 0.00 0.02 0.00 0.00 55.36 56.50 1yj9 s GLN 67 Cb 0.00 -2.40 0.12 0.00 1.00 0.00 0.00 33.01 31.73 1yj9 s GLN 67 CO 0.00 0.03 0.41 0.08 -2.12 0.00 0.00 175.29 173.68 1yj9 s VAL 68 N -1.94 4.67 0.11 1.09 1.01 -1.26 -1.98 120.40 122.11 1yj9 s VAL 68 Ca 0.58 -1.61 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1yj9 s VAL 68 Cb -0.14 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1yj9 s VAL 68 CO 0.18 -0.79 0.12 0.18 0.00 0.00 0.00 175.10 174.80 1yj9 n LEU 69 N 5.06 0.00 -3.73 3.92 4.77 -0.11 -4.88 117.00 122.03 1yj9 n LEU 69 Ca -0.11 -0.54 -0.28 0.00 -0.03 0.00 0.00 56.01 55.05 1yj9 n LEU 69 Cb 0.41 -0.05 -0.16 0.00 -2.33 0.00 0.00 43.42 41.29 1yj9 n LEU 69 CO 0.48 -0.43 -0.36 -0.70 -1.33 0.00 0.00 177.39 175.04 1yj9 s GLU 70 N -2.49 0.68 0.35 3.23 2.12 -1.25 -0.63 118.70 120.71 1yj9 s GLU 70 Ca 0.09 -0.58 0.03 0.00 0.36 0.00 0.00 54.97 54.87 1yj9 s GLU 70 Cb -0.01 -2.06 0.03 0.00 0.26 0.00 0.00 34.13 32.36 1yj9 s GLU 70 CO 0.06 -0.73 0.26 0.00 -0.54 0.00 0.00 175.26 174.32 1yj9 n ALA 71 N 5.00 0.54 -2.80 6.30 0.00 -0.67 -0.16 120.51 128.73 1yj9 n ALA 71 Ca -0.08 -1.41 -0.20 0.00 0.00 0.00 0.00 53.44 51.75 1yj9 n ALA 71 Cb 0.46 0.58 -0.15 0.00 0.00 0.00 0.00 19.45 20.34 1yj9 n ALA 71 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yj9 s VAL 72 N -1.74 0.80 -0.59 0.00 1.01 -0.73 -2.02 120.40 117.13 1yj9 s VAL 72 Ca 0.20 -0.41 -0.28 0.00 0.00 0.00 0.00 61.98 61.49 1yj9 s VAL 72 Cb -0.02 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.71 1yj9 s VAL 72 CO 0.13 0.24 1.21 -0.69 0.00 0.00 0.00 175.10 175.98 1yj9 s VAL 73 N -0.07 3.99 -0.06 2.92 1.01 -0.90 -1.11 120.40 126.18 1yj9 s VAL 73 Ca 0.01 0.87 0.13 0.00 0.00 0.00 0.00 61.98 62.99 1yj9 s VAL 73 Cb -0.06 -4.73 -0.22 0.00 0.00 0.00 0.00 36.38 31.38 1yj9 s VAL 73 CO -0.00 -1.36 0.67 0.52 0.00 0.00 0.00 175.10 174.93 1yj9 n VAL 74 N 6.67 1.55 -3.75 2.92 0.31 0.11 -2.10 118.33 124.03 1yj9 n VAL 74 Ca 0.08 -0.78 -0.11 0.00 -0.01 0.00 0.00 64.34 63.52 1yj9 n VAL 74 Cb 0.49 -0.99 -0.07 0.00 -0.91 0.00 0.00 33.84 32.36 1yj9 n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1yj9 s ARG 75 N -2.64 0.84 0.01 5.55 0.52 -0.87 -3.18 118.95 119.18 1yj9 s ARG 75 Ca -0.05 -0.57 -0.21 0.00 -0.52 0.00 0.00 55.73 54.39 1yj9 s ARG 75 Cb 0.08 0.36 0.04 0.00 0.52 0.00 0.00 34.95 35.95 1yj9 s ARG 75 CO 0.82 -0.28 0.47 1.14 0.02 0.00 0.00 175.30 177.47 1yj9 s GLN 76 N -2.80 0.91 0.21 3.54 -2.07 -1.05 -0.07 119.66 118.33 1yj9 s GLN 76 Ca -0.03 -0.16 0.04 0.00 -1.82 0.00 0.00 55.36 53.39 1yj9 s GLN 76 Cb -0.00 0.41 0.16 0.00 -1.09 0.00 0.00 33.01 32.49 1yj9 s GLN 76 CO -0.05 -0.30 1.50 0.00 -1.32 0.00 0.00 175.29 175.12 1yj9 h ARG 77 N 3.18 0.23 -6.69 9.60 3.08 -1.75 -2.27 114.38 119.77 1yj9 h ARG 77 Ca -0.30 -0.19 -0.52 0.00 0.07 0.00 0.00 59.98 59.05 1yj9 h ARG 77 Cb 1.18 0.04 0.02 0.00 0.08 0.00 0.00 29.97 31.29 1yj9 h ARG 77 CO 0.41 0.84 0.53 0.21 -1.07 0.00 0.00 179.97 180.89 1yj9 s LYS 78 N -3.57 4.53 0.73 0.04 2.47 -1.26 -4.21 119.74 118.46 1yj9 s LYS 78 Ca -0.04 1.84 -0.16 0.00 -1.56 0.00 0.00 55.97 56.06 1yj9 s LYS 78 Cb 0.11 -3.23 0.02 0.00 -1.46 0.00 0.00 37.83 33.27 1yj9 s LYS 78 CO 0.81 -0.01 1.07 -2.30 0.16 0.00 0.00 175.35 175.08 1yj9 n PRO 79 N 2.23 0.52 -4.08 4.03 -0.02 -1.26 -4.75 135.00 131.67 1yj9 n PRO 79 Ca 0.03 0.24 -0.13 0.00 -2.02 0.00 0.00 63.50 61.62 1yj9 n PRO 79 Cb 0.45 -2.32 -0.12 0.00 -0.02 0.00 0.00 33.50 31.49 1yj9 n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1yj9 s ILE 80 N -1.82 0.49 -0.17 4.25 -4.36 -0.88 -4.08 121.20 114.61 1yj9 s ILE 80 Ca 0.75 -0.87 -0.08 0.00 -0.26 0.00 0.00 60.65 60.19 1yj9 s ILE 80 Cb -0.34 -0.53 -0.04 0.00 1.25 0.00 0.00 42.46 42.80 1yj9 s ILE 80 CO 0.49 -0.27 0.08 -0.60 0.24 0.00 0.00 174.94 174.88 1yj9 s ARG 81 N -1.23 3.91 0.33 0.37 3.52 -0.06 -0.58 118.95 125.21 1yj9 s ARG 81 Ca -0.07 -0.30 0.06 0.00 -0.13 0.00 0.00 55.73 55.29 1yj9 s ARG 81 Cb -0.08 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 30.07 1yj9 s ARG 81 CO 0.00 0.36 0.47 1.03 -0.81 0.00 0.00 175.30 176.36 1yj9 s ARG 82 N 0.13 3.16 0.39 5.12 0.52 -0.92 -0.51 118.95 126.85 1yj9 s ARG 82 Ca 0.06 -0.93 0.20 0.00 -0.52 0.00 0.00 55.73 54.54 1yj9 s ARG 82 Cb -0.12 -2.81 1.17 0.00 0.52 0.00 0.00 34.95 33.71 1yj9 s ARG 82 CO 0.00 0.08 1.70 -1.35 0.02 0.00 0.00 175.30 175.76 1yj9 h PRO 83 N 0.88 0.30 0.00 3.54 0.11 -1.90 0.13 132.00 135.07 1yj9 h PRO 83 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1yj9 h PRO 83 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1yj9 h PRO 83 CO 0.54 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.13 1yj9 n ASP 84 N -4.76 0.00 0.00 -2.05 5.75 -1.26 -4.88 116.55 109.35 1yj9 n ASP 84 Ca 0.30 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.68 1yj9 n ASP 84 Cb 1.04 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.13 1yj9 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yj9 n GLY 85 N 0.57 2.67 3.68 6.12 0.00 0.45 -5.03 105.19 113.66 1yj9 n GLY 85 Ca 0.09 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1yj9 n GLY 85 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yj9 n THR 86 N 0.00 1.54 -3.18 2.61 -1.04 -1.26 -4.55 114.28 108.40 1yj9 n THR 86 Ca 0.00 -0.39 -0.27 0.00 -2.04 0.00 0.00 64.05 61.35 1yj9 n THR 86 Cb 0.00 -1.52 -0.02 0.00 -1.82 0.00 0.00 70.33 66.97 1yj9 n THR 86 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1yj9 s ARG 87 N -1.22 3.58 -0.07 -2.82 1.81 -1.26 -2.16 118.95 116.81 1yj9 s ARG 87 Ca 0.61 -0.02 -0.03 0.00 -1.72 0.00 0.00 55.73 54.57 1yj9 s ARG 87 Cb -0.60 -2.58 0.04 0.00 -0.45 0.00 0.00 34.95 31.35 1yj9 s ARG 87 CO 0.57 0.10 0.08 0.08 -0.68 0.00 0.00 175.30 175.44 1yj9 s VAL 88 N -2.30 -0.12 0.02 3.52 1.01 0.25 -4.91 120.40 117.87 1yj9 s VAL 88 Ca 0.44 0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.81 1yj9 s VAL 88 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 1yj9 s VAL 88 CO 0.35 0.10 -0.20 -1.59 0.00 0.00 0.00 175.10 173.76 1yj9 s LYS 89 N 2.18 1.46 0.55 2.72 -2.85 -1.26 -2.08 119.74 120.45 1yj9 s LYS 89 Ca 0.04 -0.84 0.06 0.00 -1.00 0.00 0.00 55.97 54.24 1yj9 s LYS 89 Cb -0.13 -1.50 0.06 0.00 -2.06 0.00 0.00 37.83 34.21 1yj9 s LYS 89 CO -0.04 0.39 0.75 -0.06 0.10 0.00 0.00 175.35 176.50 1yj9 s PHE 90 N -0.66 2.04 0.18 1.78 0.40 -0.86 -5.02 117.98 115.84 1yj9 s PHE 90 Ca 0.07 -0.47 -0.03 0.00 -0.60 0.00 0.00 56.93 55.91 1yj9 s PHE 90 Cb -0.08 -2.45 0.08 0.00 0.51 0.00 0.00 43.02 41.08 1yj9 s PHE 90 CO 0.01 -0.99 1.47 1.49 0.70 0.00 0.00 175.22 177.90 1yj9 h GLU 91 N 0.19 0.49 0.00 0.44 4.22 -1.92 -3.39 114.58 114.61 1yj9 h GLU 91 Ca -0.35 -0.35 -0.13 0.00 0.08 0.00 0.00 59.36 58.60 1yj9 h GLU 91 Cb 1.28 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 1yj9 h GLU 91 CO 0.43 0.97 -0.08 -0.40 -2.18 0.00 0.00 179.01 177.75 1yj9 n ASP 92 N -3.90 -0.57 -4.47 1.04 5.75 -1.26 -4.84 116.55 108.29 1yj9 n ASP 92 Ca -0.04 -1.85 -0.35 0.00 -0.01 0.00 0.00 54.79 52.54 1yj9 n ASP 92 Cb 0.65 1.09 -0.12 0.00 -1.03 0.00 0.00 41.12 41.71 1yj9 n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1yj9 s ASN 93 N -1.97 5.03 0.04 -1.12 0.01 -1.26 -2.52 114.94 113.16 1yj9 s ASN 93 Ca 0.13 -0.17 0.03 0.00 -0.71 0.00 0.00 52.86 52.14 1yj9 s ASN 93 Cb -0.00 -1.88 -0.02 0.00 0.41 0.00 0.00 41.25 39.76 1yj9 s ASN 93 CO 0.10 0.04 -0.09 0.00 -1.51 0.00 0.00 177.10 175.63 1yj9 s ALA 94 N 1.17 0.74 0.10 0.60 0.00 0.89 -1.90 121.76 123.37 1yj9 s ALA 94 Ca 0.04 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.29 1yj9 s ALA 94 Cb -0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1yj9 s ALA 94 CO 0.02 0.06 -0.10 0.00 0.00 0.00 0.00 175.76 175.75 1yj9 s ALA 95 N -1.11 1.13 -0.18 0.00 0.00 0.59 0.04 121.76 122.23 1yj9 s ALA 95 Ca -0.05 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.69 1yj9 s ALA 95 Cb -0.09 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.11 1yj9 s ALA 95 CO 0.01 -0.06 -0.13 0.08 0.00 0.00 0.00 175.76 175.66 1yj9 s VAL 96 N -2.60 1.66 0.44 0.00 1.01 -0.27 0.36 120.40 121.00 1yj9 s VAL 96 Ca 0.07 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 1yj9 s VAL 96 Cb -0.02 -1.65 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 1yj9 s VAL 96 CO -0.00 0.31 1.23 -0.38 0.00 0.00 0.00 175.10 176.26 1yj9 n ILE 97 N 4.71 2.67 -4.10 2.22 5.41 -1.26 -1.77 119.36 127.23 1yj9 n ILE 97 Ca -0.16 -0.50 -0.08 0.00 1.00 0.00 0.00 62.75 63.00 1yj9 n ILE 97 Cb 0.48 -1.51 -0.10 0.00 -0.71 0.00 0.00 39.64 37.80 1yj9 n ILE 97 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1yj9 s VAL 98 N -1.22 0.37 0.00 1.39 1.01 0.78 -2.01 120.40 120.70 1yj9 s VAL 98 Ca 0.62 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1yj9 s VAL 98 Cb -0.50 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1yj9 s VAL 98 CO 0.57 -0.89 0.00 -0.90 0.00 0.00 0.00 175.10 173.88 1yj9 n ASP 99 N 0.25 0.00 0.08 3.32 5.68 -1.03 -3.93 116.55 120.91 1yj9 n ASP 99 Ca -0.15 -0.62 0.09 0.00 -0.50 0.00 0.00 54.79 53.61 1yj9 n ASP 99 Cb 0.60 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.98 1yj9 n ASP 99 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1yj9 n GLU 100 N -0.62 0.10 -0.26 0.11 1.02 -1.26 -2.55 120.64 117.18 1yj9 n GLU 100 Ca 0.00 0.39 0.07 0.00 -0.02 0.00 0.00 57.16 57.60 1yj9 n GLU 100 Cb 0.00 -1.72 0.20 0.00 -0.02 0.00 0.00 31.44 29.90 1yj9 n GLU 100 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1yj9 n ASN 101 N -1.92 3.28 -1.19 1.62 3.02 -1.26 -4.97 115.26 113.84 1yj9 n ASN 101 Ca 0.02 -2.17 -0.12 0.00 -0.03 0.00 0.00 54.58 52.28 1yj9 n ASN 101 Cb 0.17 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 1yj9 n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1yj9 n GLU 102 N 0.52 -0.88 -4.05 3.52 1.02 -1.06 -5.01 120.64 114.70 1yj9 n GLU 102 Ca 0.15 0.66 -0.35 0.00 -0.02 0.00 0.00 57.16 57.60 1yj9 n GLU 102 Cb 0.54 -4.76 -0.11 0.00 -0.02 0.00 0.00 31.44 27.10 1yj9 n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1yj9 s ASP 103 N -2.60 5.41 -0.23 1.62 1.01 -1.26 -4.48 116.67 116.14 1yj9 s ASP 103 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 52.55 52.88 1yj9 s ASP 103 Cb 0.00 -1.93 -0.14 0.00 1.01 0.00 0.00 42.92 41.86 1yj9 s ASP 103 CO 0.00 0.14 1.80 -0.81 0.21 0.00 0.00 175.17 176.51 1yj9 n PRO 104 N 3.74 1.46 -0.21 8.23 -0.04 -1.26 -2.48 135.00 144.43 1yj9 n PRO 104 Ca -0.17 0.53 -0.03 0.00 -0.04 0.00 0.00 63.50 63.80 1yj9 n PRO 104 Cb 0.52 -2.27 0.08 0.00 -0.04 0.00 0.00 33.50 31.79 1yj9 n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1yj9 h ARG 105 N 7.90 0.62 -7.55 0.54 2.43 -1.72 -3.43 114.38 113.16 1yj9 h ARG 105 Ca -0.47 -0.04 -0.45 0.00 -0.81 0.00 0.00 59.98 58.21 1yj9 h ARG 105 Cb 1.30 -0.14 0.14 0.00 -0.42 0.00 0.00 29.97 30.85 1yj9 h ARG 105 CO 0.96 0.41 0.32 0.20 -1.51 0.00 0.00 179.97 180.35 1yj9 s GLY 106 N -2.94 1.61 0.03 2.80 0.00 -1.26 -4.93 107.32 102.63 1yj9 s GLY 106 Ca -0.13 -0.69 -0.09 0.00 0.00 0.00 0.00 44.72 43.81 1yj9 s GLY 106 CO 0.75 -0.08 0.98 -0.84 0.00 0.00 0.00 173.10 173.91 1yj9 h THR 107 N -1.57 1.29 -3.46 0.90 2.02 -1.91 -3.48 112.91 106.69 1yj9 h THR 107 Ca -0.48 -2.82 -0.16 0.00 0.77 0.00 0.00 66.41 63.72 1yj9 h THR 107 Cb 1.31 2.92 -0.22 0.00 -1.74 0.00 0.00 68.15 70.42 1yj9 h THR 107 CO 0.56 0.84 -0.50 -1.83 0.37 0.00 0.00 175.52 174.96 1yj9 s GLU 108 N -2.62 0.39 -0.06 6.66 -1.05 -1.26 -5.05 118.70 115.70 1yj9 s GLU 108 Ca -0.08 -0.20 -0.19 0.00 -0.15 0.00 0.00 54.97 54.35 1yj9 s GLU 108 Cb 0.06 0.17 -0.05 0.00 -0.44 0.00 0.00 34.13 33.87 1yj9 s GLU 108 CO 0.90 -0.08 0.53 -0.51 0.95 0.00 0.00 175.26 177.05 1yj9 s LEU 109 N -0.91 4.35 0.41 1.83 1.43 -1.26 -3.22 118.68 121.31 1yj9 s LEU 109 Ca -0.10 0.98 0.01 0.00 -1.03 0.00 0.00 54.13 53.99 1yj9 s LEU 109 Cb -0.06 -2.80 -0.01 0.00 0.03 0.00 0.00 46.19 43.35 1yj9 s LEU 109 CO 0.01 0.05 0.62 -0.54 0.23 0.00 0.00 176.35 176.73 1yj9 s LYS 110 N 0.20 3.20 0.23 1.70 1.02 -1.10 -4.36 119.74 120.63 1yj9 s LYS 110 Ca 0.29 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.81 1yj9 s LYS 110 Cb -0.17 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1yj9 s LYS 110 CO 0.14 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 1yj9 n GLY 111 N -1.97 -1.26 0.00 -3.33 0.00 -1.26 -4.85 105.19 92.53 1yj9 n GLY 111 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1yj9 n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yj9 n PRO 112 N -2.95 -0.56 -3.60 1.61 -0.04 -1.26 -4.52 135.00 123.67 1yj9 n PRO 112 Ca -0.01 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.29 1yj9 n PRO 112 Cb 0.60 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.99 1yj9 n PRO 112 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1yj9 s ILE 113 N -0.86 0.02 0.43 0.52 1.01 -1.18 -4.89 121.20 116.26 1yj9 s ILE 113 Ca 0.00 -0.19 -0.21 0.00 0.00 0.00 0.00 60.65 60.25 1yj9 s ILE 113 Cb 0.00 -0.88 -0.10 0.00 0.01 0.00 0.00 42.46 41.49 1yj9 s ILE 113 CO 0.00 -0.10 0.98 0.00 0.00 0.00 0.00 174.94 175.81 1yj9 s ALA 114 N -1.49 3.01 0.08 9.38 0.00 -1.19 -0.32 121.76 131.23 1yj9 s ALA 114 Ca -0.11 0.48 -0.22 0.00 0.00 0.00 0.00 51.96 52.12 1yj9 s ALA 114 Cb -0.02 -3.19 -0.12 0.00 0.00 0.00 0.00 23.12 19.80 1yj9 s ALA 114 CO 0.06 0.00 1.66 0.07 0.00 0.00 0.00 175.76 177.55 1yj9 h ARG 115 N 1.94 0.15 -1.24 0.00 0.11 -0.28 -2.87 114.38 112.18 1yj9 h ARG 115 Ca -0.49 -0.02 0.36 0.00 0.10 0.00 0.00 59.98 59.93 1yj9 h ARG 115 Cb 1.19 -0.03 -0.05 0.00 1.11 0.00 0.00 29.97 32.20 1yj9 h ARG 115 CO 0.61 0.21 0.96 0.93 0.10 0.00 0.00 179.97 182.78 1yj9 h GLU 116 N 0.05 0.00 -0.82 0.08 3.07 -1.83 0.21 114.58 115.33 1yj9 h GLU 116 Ca 0.04 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.92 1yj9 h GLU 116 Cb 0.11 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.97 1yj9 h GLU 116 CO -0.00 0.00 0.53 0.28 -1.40 0.00 0.00 179.01 178.42 1yj9 h VAL 117 N 0.00 1.16 -0.38 3.13 2.07 -1.84 -2.77 116.25 117.61 1yj9 h VAL 117 Ca 0.59 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.82 1yj9 h VAL 117 Cb 2.51 0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 32.19 1yj9 h VAL 117 CO -0.01 0.19 -0.36 0.00 0.02 0.00 0.00 177.57 177.42 1yj9 h ALA 118 N 1.33 -0.27 0.00 1.67 0.00 -0.75 0.16 119.26 121.40 1yj9 h ALA 118 Ca 0.32 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1yj9 h ALA 118 Cb -0.04 0.76 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1yj9 h ALA 118 CO -0.10 -0.77 0.41 1.96 0.00 0.00 0.00 179.25 180.74 1yj9 h GLN 119 N -0.29 0.00 0.00 0.00 4.20 -1.60 -1.99 115.11 115.42 1yj9 h GLN 119 Ca 0.16 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.68 1yj9 h GLN 119 Cb 0.56 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 1yj9 h GLN 119 CO -0.54 0.00 -1.70 0.54 -0.67 0.00 0.00 178.83 176.46 1yj9 n ARG 120 N -2.37 1.38 -3.48 1.46 1.74 0.19 -4.86 116.66 110.71 1yj9 n ARG 120 Ca -0.01 0.03 -0.27 0.00 -0.77 0.00 0.00 57.85 56.83 1yj9 n ARG 120 Cb 0.43 -1.25 -0.10 0.00 -1.02 0.00 0.00 32.46 30.52 1yj9 n ARG 120 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1yj9 n PHE 121 N -2.61 0.32 0.06 -1.55 3.01 0.31 -4.99 117.46 112.01 1yj9 n PHE 121 Ca -0.19 -3.61 -0.11 0.00 1.01 0.00 0.00 57.45 54.54 1yj9 n PHE 121 Cb 0.78 -0.06 -0.05 0.00 -0.01 0.00 0.00 39.48 40.14 1yj9 n PHE 121 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1yj9 h GLY 122 N 5.26 -0.42 1.62 1.37 0.00 -1.74 0.23 103.07 109.39 1yj9 h GLY 122 Ca 0.21 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1yj9 h GLY 122 CO 0.49 -0.22 0.09 -1.14 0.00 0.00 0.00 176.54 175.75 1yj9 n SER 123 N -5.39 0.00 -0.13 0.19 3.41 -1.26 0.15 113.62 110.59 1yj9 n SER 123 Ca -0.05 0.40 -0.19 0.00 -0.26 0.00 0.00 58.87 58.77 1yj9 n SER 123 Cb 0.30 -0.40 -0.12 0.00 -0.26 0.00 0.00 64.21 63.73 1yj9 n SER 123 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1yj9 n VAL 124 N -1.40 1.50 0.05 -3.33 0.31 -0.07 -4.17 118.33 111.23 1yj9 n VAL 124 Ca 0.00 -0.56 -0.13 0.00 -0.01 0.00 0.00 64.34 63.65 1yj9 n VAL 124 Cb 0.09 -1.47 -0.08 0.00 -0.91 0.00 0.00 33.84 31.47 1yj9 n VAL 124 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yj9 h ALA 125 N -0.08 -0.08 0.00 3.52 0.00 0.33 -2.09 119.26 120.86 1yj9 h ALA 125 Ca -0.59 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1yj9 h ALA 125 Cb 1.88 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1yj9 h ALA 125 CO -0.11 -0.48 0.00 -1.13 0.00 0.00 0.00 179.25 177.53 1yj9 n SER 126 N -5.06 0.00 0.00 0.00 3.41 0.39 -0.82 113.62 111.55 1yj9 n SER 126 Ca -0.08 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 1yj9 n SER 126 Cb 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1yj9 n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yj9 n ALA 127 N -0.56 1.76 -1.74 7.33 0.00 -0.84 -5.03 120.51 121.43 1yj9 n ALA 127 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.09 1yj9 n ALA 127 Cb 0.01 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.51 1yj9 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yj9 s ALA 128 N -0.92 2.46 -0.08 0.00 0.00 0.00 -4.13 121.76 119.09 1yj9 s ALA 128 Ca 0.00 1.14 -0.02 0.00 0.00 0.00 0.00 51.96 53.08 1yj9 s ALA 128 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 1yj9 s ALA 128 CO 0.00 -1.42 -0.04 1.15 0.00 0.00 0.00 175.76 175.45 1yj9 h THR 129 N 0.72 0.00 -2.73 0.00 2.02 -1.82 -3.48 112.91 107.61 1yj9 h THR 129 Ca -0.51 -0.71 -0.61 0.00 0.77 0.00 0.00 66.41 65.35 1yj9 h THR 129 Cb 1.32 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.59 1yj9 h THR 129 CO 0.54 0.00 -0.73 -0.04 0.37 0.00 0.00 175.52 175.66 1yj9 s MET 130 N -1.56 1.96 -0.08 6.66 -1.94 -1.26 -5.11 119.30 117.96 1yj9 s MET 130 Ca -0.04 -1.42 -0.03 0.00 -1.71 0.00 0.00 55.69 52.49 1yj9 s MET 130 Cb 0.01 -2.05 0.04 0.00 2.01 0.00 0.00 34.83 34.84 1yj9 s MET 130 CO 0.05 0.40 0.09 0.42 -0.01 0.00 0.00 175.02 175.97 1yj9 s ILE 131 N -1.96 -0.14 -2.84 2.53 1.01 -1.26 -3.10 121.20 115.44 1yj9 s ILE 131 Ca 0.26 0.25 0.25 0.00 0.00 0.00 0.00 60.65 61.42 1yj9 s ILE 131 Cb -0.08 -0.29 0.30 0.00 0.01 0.00 0.00 42.46 42.41 1yj9 s ILE 131 CO 0.15 0.05 1.41 0.52 0.00 0.00 0.00 174.94 177.08