#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y69 n HIS 3 N 0.00 -1.61 -2.45 0.00 -0.00 -1.26 -5.08 115.22 104.82 1y69 n HIS 3 Ca 0.00 -1.39 -0.14 0.00 -0.00 0.00 0.00 57.72 56.19 1y69 n HIS 3 Cb 0.00 0.53 0.03 0.00 -0.00 0.00 0.00 29.99 30.55 1y69 n HIS 3 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1y69 n LYS 4 N -0.37 2.62 0.00 -1.40 2.85 -1.26 -4.92 118.16 115.67 1y69 n LYS 4 Ca -0.03 -3.86 0.00 0.00 -1.05 0.00 0.00 58.31 53.37 1y69 n LYS 4 Cb 0.40 -1.91 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 1y69 n LYS 4 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1y69 n LYS 5 N -0.57 0.00 0.00 -1.58 4.01 -1.26 -5.18 118.16 113.58 1y69 n LYS 5 Ca 0.26 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.06 1y69 n LYS 5 Cb 0.85 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.37 1y69 n LYS 5 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1y69 n GLY 6 N 0.61 0.80 0.18 0.72 0.00 -1.26 -5.02 105.19 101.22 1y69 n GLY 6 Ca 0.00 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.65 1y69 n GLY 6 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1y69 h VAL 7 N 0.00 0.38 -3.08 1.61 2.07 -2.02 -3.46 116.25 111.75 1y69 h VAL 7 Ca 0.00 -1.54 -0.10 0.00 0.82 0.00 0.00 66.70 65.88 1y69 h VAL 7 Cb 0.00 2.18 -0.18 0.00 -1.52 0.00 0.00 31.29 31.77 1y69 h VAL 7 CO 0.00 0.22 -0.20 -0.83 0.02 0.00 0.00 177.57 176.77 1y69 s GLY 8 N -4.33 -0.19 0.28 2.17 0.00 -1.26 -5.14 107.32 98.85 1y69 s GLY 8 Ca 0.05 0.25 -0.29 0.00 0.00 0.00 0.00 44.72 44.73 1y69 s GLY 8 CO 0.71 0.02 1.25 -1.35 0.00 0.00 0.00 173.10 173.73 1y69 s SER 9 N -1.75 6.94 1.00 1.64 1.04 -1.26 -5.03 113.70 116.28 1y69 s SER 9 Ca -0.08 2.50 -0.04 0.00 0.48 0.00 0.00 55.95 58.80 1y69 s SER 9 Cb -0.02 -2.63 0.05 0.00 0.10 0.00 0.00 66.02 63.52 1y69 s SER 9 CO 0.00 -0.43 0.30 -1.20 0.98 0.00 0.00 173.24 172.89 1y69 n SER 10 N 1.44 -0.08 -2.79 7.02 7.64 -1.26 -4.81 113.62 120.77 1y69 n SER 10 Ca 0.01 -1.07 -0.02 0.00 1.01 0.00 0.00 58.87 58.81 1y69 n SER 10 Cb 0.43 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1y69 n SER 10 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1y69 n LYS 11 N -1.70 -3.05 -1.87 1.43 5.02 -1.26 -5.06 118.16 111.67 1y69 n LYS 11 Ca 0.04 2.51 -0.05 0.00 -2.02 0.00 0.00 58.31 58.79 1y69 n LYS 11 Cb 0.13 -4.98 0.00 0.00 -0.02 0.00 0.00 35.03 30.17 1y69 n LYS 11 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1y69 n ASN 12 N 0.62 1.15 0.00 4.39 3.02 -1.26 -5.04 115.26 118.14 1y69 n ASN 12 Ca 0.01 -1.41 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 1y69 n ASN 12 Cb 0.12 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1y69 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y69 n GLY 13 N 3.48 0.00 4.03 7.41 0.00 -1.26 -5.17 105.19 113.68 1y69 n GLY 13 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1y69 n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1y69 s ARG 14 N 0.00 2.28 -0.09 1.61 3.52 -1.26 -4.98 118.95 120.02 1y69 s ARG 14 Ca 0.00 -1.55 -0.00 0.00 -0.13 0.00 0.00 55.73 54.04 1y69 s ARG 14 Cb 0.00 -2.62 0.00 0.00 -1.56 0.00 0.00 34.95 30.77 1y69 s ARG 14 CO 0.00 -0.87 0.01 -0.25 -0.81 0.00 0.00 175.30 173.38 1y69 n ASP 15 N -2.27 -3.65 -1.25 -2.12 10.43 -1.26 -5.11 116.55 111.32 1y69 n ASP 15 Ca 0.15 0.46 0.00 0.00 2.57 0.00 0.00 54.79 57.97 1y69 n ASP 15 Cb 0.61 -2.40 0.00 0.00 1.84 0.00 0.00 41.12 41.17 1y69 n ASP 15 CO 0.00 0.00 0.00 -0.24 -1.07 0.00 0.00 177.20 175.89 1y69 n SER 16 N 0.27 0.00 -3.85 -2.24 2.88 -1.26 -5.15 113.62 104.26 1y69 n SER 16 Ca -0.02 -0.42 -0.12 0.00 -1.33 0.00 0.00 58.87 56.98 1y69 n SER 16 Cb 0.03 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.35 1y69 n SER 16 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1y69 s ASN 17 N -1.00 -0.02 -0.41 -3.46 0.01 -1.26 -5.11 114.94 103.69 1y69 s ASN 17 Ca 0.00 0.05 -0.27 0.00 -0.71 0.00 0.00 52.86 51.93 1y69 s ASN 17 Cb 0.00 0.04 -0.05 0.00 0.41 0.00 0.00 41.25 41.66 1y69 s ASN 17 CO 0.00 -0.02 2.14 -2.84 -1.51 0.00 0.00 177.10 174.87 1y69 s PRO 18 N 0.11 2.70 0.08 -0.60 0.02 -1.26 -4.97 135.00 131.09 1y69 s PRO 18 Ca -0.01 1.43 0.01 0.00 0.02 0.00 0.00 61.00 62.46 1y69 s PRO 18 Cb -0.01 -4.42 0.01 0.00 0.02 0.00 0.00 34.50 30.10 1y69 s PRO 18 CO -0.00 -2.60 0.11 0.36 -0.33 0.00 0.00 177.00 174.54 1y69 n LYS 19 N 8.87 1.01 0.00 5.54 0.00 -1.26 -5.06 118.16 127.26 1y69 n LYS 19 Ca 0.29 -0.46 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 1y69 n LYS 19 Cb 0.50 -0.02 0.00 0.00 -0.00 0.00 0.00 35.03 35.51 1y69 n LYS 19 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1y69 n TYR 20 N -1.10 0.00 -3.11 5.58 4.01 -1.26 -5.15 117.16 116.13 1y69 n TYR 20 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1y69 n TYR 20 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1y69 n TYR 20 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1y69 n LEU 21 N 0.00 0.00 0.00 7.72 4.77 -1.26 -5.07 117.00 123.16 1y69 n LEU 21 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1y69 n LEU 21 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1y69 n LEU 21 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1y69 n GLY 22 N -0.00 -0.60 3.51 -0.72 0.00 -1.17 -4.95 105.19 101.25 1y69 n GLY 22 Ca 0.00 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.50 1y69 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y69 s VAL 23 N 0.00 3.60 -0.21 1.61 1.01 -1.26 -1.46 120.40 123.69 1y69 s VAL 23 Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 1y69 s VAL 23 Cb 0.00 -2.51 -0.08 0.00 0.00 0.00 0.00 36.38 33.79 1y69 s VAL 23 CO 0.00 0.55 -0.30 0.29 0.00 0.00 0.00 175.10 175.64 1y69 n LYS 24 N 2.87 0.54 -4.29 2.72 4.76 0.23 -4.96 118.16 120.04 1y69 n LYS 24 Ca -0.18 0.28 -0.34 0.00 -2.87 0.00 0.00 58.31 55.20 1y69 n LYS 24 Cb 0.53 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 32.12 1y69 n LYS 24 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1y69 s LYS 25 N -2.69 3.61 0.51 1.97 -0.14 0.72 -5.03 119.74 118.68 1y69 s LYS 25 Ca -0.31 -0.45 0.05 0.00 -1.36 0.00 0.00 55.97 53.90 1y69 s LYS 25 Cb 0.07 -2.97 0.05 0.00 -1.68 0.00 0.00 37.83 33.30 1y69 s LYS 25 CO 0.44 0.35 0.38 1.19 -0.76 0.00 0.00 175.35 176.94 1y69 n PHE 26 N 3.23 -0.64 -1.75 3.18 3.01 -1.26 -4.72 117.46 118.51 1y69 n PHE 26 Ca -0.17 -2.15 -0.42 0.00 1.01 0.00 0.00 57.45 55.72 1y69 n PHE 26 Cb 0.53 -0.41 -0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1y69 n PHE 26 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y69 n GLY 27 N -1.12 0.97 1.57 1.37 0.00 -1.26 -3.20 105.19 103.51 1y69 n GLY 27 Ca -0.02 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1y69 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y69 n GLY 28 N 0.61 0.85 3.18 -0.02 0.00 -0.46 -5.02 105.19 104.33 1y69 n GLY 28 Ca 0.03 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 1y69 n GLY 28 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1y69 s GLU 29 N -4.69 2.97 -1.13 1.61 2.56 -1.19 -4.95 118.70 113.87 1y69 s GLU 29 Ca 0.00 -0.84 -0.15 0.00 0.00 0.00 0.00 54.97 53.97 1y69 s GLU 29 Cb 0.00 -2.35 0.15 0.00 2.00 0.00 0.00 34.13 33.93 1y69 s GLU 29 CO 0.00 0.04 1.37 0.08 -0.56 0.00 0.00 175.26 176.19 1y69 s VAL 30 N 0.68 4.88 0.78 3.70 1.01 -1.26 -1.53 120.40 128.66 1y69 s VAL 30 Ca -0.11 -2.28 -0.09 0.00 0.00 0.00 0.00 61.98 59.50 1y69 s VAL 30 Cb -0.16 -4.89 0.11 0.00 0.00 0.00 0.00 36.38 31.43 1y69 s VAL 30 CO 0.01 -1.62 1.11 0.68 0.00 0.00 0.00 175.10 175.29 1y69 s VAL 31 N 2.08 2.15 0.26 2.92 -7.23 -1.23 -4.96 120.40 114.39 1y69 s VAL 31 Ca 0.41 -0.21 0.11 0.00 -1.81 0.00 0.00 61.98 60.48 1y69 s VAL 31 Cb -0.03 -2.94 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 1y69 s VAL 31 CO -0.02 0.00 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.83 1y69 s LYS 32 N -5.43 1.73 -0.32 4.82 2.20 -1.26 -3.47 119.74 118.00 1y69 s LYS 32 Ca 0.64 -1.66 -0.36 0.00 -0.36 0.00 0.00 55.97 54.23 1y69 s LYS 32 Cb -0.08 -1.84 -0.12 0.00 -1.51 0.00 0.00 37.83 34.27 1y69 s LYS 32 CO 0.47 0.35 2.09 0.00 -0.36 0.00 0.00 175.35 177.91 1y69 n ALA 33 N -0.43 0.83 -0.04 3.13 0.00 -1.26 -1.54 120.51 121.20 1y69 n ALA 33 Ca -0.07 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1y69 n ALA 33 Cb 0.59 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1y69 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y69 n GLY 34 N 6.04 1.65 3.40 0.00 0.00 0.10 -4.96 105.19 111.43 1y69 n GLY 34 Ca 0.38 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 1y69 n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1y69 s ASN 35 N -2.02 4.54 0.18 1.61 3.84 -0.59 -4.85 114.94 117.66 1y69 s ASN 35 Ca 0.00 -0.27 -0.31 0.00 0.21 0.00 0.00 52.86 52.49 1y69 s ASN 35 Cb 0.00 -1.76 -0.10 0.00 -0.55 0.00 0.00 41.25 38.84 1y69 s ASN 35 CO 0.00 0.07 1.58 -0.63 -2.79 0.00 0.00 177.10 175.32 1y69 s ILE 36 N 0.96 2.53 -0.04 -5.21 1.01 -1.26 -1.48 121.20 117.71 1y69 s ILE 36 Ca 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 60.65 61.00 1y69 s ILE 36 Cb -0.15 -3.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 1y69 s ILE 36 CO 0.01 0.03 -0.08 0.18 0.00 0.00 0.00 174.94 175.08 1y69 n LEU 37 N 3.76 0.51 -3.83 2.97 4.77 0.91 -4.22 117.00 121.85 1y69 n LEU 37 Ca 0.13 0.17 -0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1y69 n LEU 37 Cb 0.38 -0.58 -0.15 0.00 -2.33 0.00 0.00 43.42 40.74 1y69 n LEU 37 CO 0.62 -0.46 -0.37 -0.69 -1.33 0.00 0.00 177.39 175.17 1y69 s VAL 38 N -1.46 0.07 0.09 4.08 1.01 -1.23 -0.20 120.40 122.76 1y69 s VAL 38 Ca -0.07 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.93 1y69 s VAL 38 Cb 0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.20 1y69 s VAL 38 CO 0.10 0.08 0.34 -0.13 0.00 0.00 0.00 175.10 175.48 1y69 s ARG 39 N 0.61 3.62 0.02 2.72 0.52 -0.53 -3.18 118.95 122.73 1y69 s ARG 39 Ca -0.06 -0.07 -0.01 0.00 -0.52 0.00 0.00 55.73 55.07 1y69 s ARG 39 Cb -0.08 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.44 1y69 s ARG 39 CO -0.01 0.55 0.06 0.00 0.02 0.00 0.00 175.30 175.91 1y69 n GLN 40 N 0.53 0.06 0.00 3.54 10.64 -1.23 -3.06 117.38 127.86 1y69 n GLN 40 Ca -0.06 -0.12 0.00 0.00 -1.83 0.00 0.00 57.00 54.99 1y69 n GLN 40 Cb 0.52 0.15 0.00 0.00 -0.86 0.00 0.00 30.24 30.05 1y69 n GLN 40 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1y69 n ARG 41 N -0.04 1.13 0.00 2.61 5.12 -1.26 -4.60 116.66 119.62 1y69 n ARG 41 Ca -0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1y69 n ARG 41 Cb 0.04 -0.65 0.00 0.00 -1.16 0.00 0.00 32.46 30.69 1y69 n ARG 41 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1y69 n GLY 42 N 1.28 0.47 2.46 -0.13 0.00 -1.26 -4.82 105.19 103.18 1y69 n GLY 42 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1y69 n GLY 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1y69 n THR 43 N 0.00 -0.36 0.02 2.61 -1.04 -1.26 -4.88 114.28 109.38 1y69 n THR 43 Ca 0.00 -2.80 -0.22 0.00 -2.04 0.00 0.00 64.05 58.99 1y69 n THR 43 Cb 0.00 -0.27 -0.14 0.00 -1.82 0.00 0.00 70.33 68.10 1y69 n THR 43 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1y69 h LYS 44 N 3.98 0.28 -4.50 -2.82 1.57 -1.96 -3.45 116.57 109.67 1y69 h LYS 44 Ca -0.04 -0.47 -0.63 0.00 -1.87 0.00 0.00 60.65 57.65 1y69 h LYS 44 Cb 0.95 0.18 -0.38 0.00 0.08 0.00 0.00 32.23 33.06 1y69 h LYS 44 CO 0.40 1.23 -0.79 -0.06 -0.57 0.00 0.00 179.45 179.65 1y69 s PHE 45 N -2.51 2.60 0.59 -1.35 0.40 -1.26 -3.58 117.98 112.86 1y69 s PHE 45 Ca -0.20 -1.87 -0.12 0.00 -0.60 0.00 0.00 56.93 54.14 1y69 s PHE 45 Cb 0.05 -1.67 -0.05 0.00 0.51 0.00 0.00 43.02 41.87 1y69 s PHE 45 CO 0.78 -0.80 1.00 0.15 0.70 0.00 0.00 175.22 177.06 1y69 s LYS 46 N 1.33 3.67 0.35 0.44 1.02 0.55 -4.92 119.74 122.17 1y69 s LYS 46 Ca -0.06 0.75 -0.27 0.00 0.02 0.00 0.00 55.97 56.41 1y69 s LYS 46 Cb -0.19 -2.11 -0.09 0.00 -0.52 0.00 0.00 37.83 34.92 1y69 s LYS 46 CO -0.06 -0.48 1.16 0.00 -0.92 0.00 0.00 175.35 175.05 1y69 s ALA 47 N -3.03 3.30 0.00 5.17 0.00 -1.26 -2.15 121.76 123.79 1y69 s ALA 47 Ca 0.55 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1y69 s ALA 47 Cb -0.11 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1y69 s ALA 47 CO 0.49 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.26 1y69 n GLY 48 N 0.83 3.75 3.64 0.00 0.00 -0.85 -4.57 105.19 108.00 1y69 n GLY 48 Ca 0.02 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 1y69 n GLY 48 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1y69 s GLN 49 N 2.76 4.06 0.00 1.61 -0.21 -1.26 -2.91 119.66 123.71 1y69 s GLN 49 Ca 0.00 1.49 0.00 0.00 0.02 0.00 0.00 55.36 56.87 1y69 s GLN 49 Cb 0.00 -3.84 0.00 0.00 1.00 0.00 0.00 33.01 30.17 1y69 s GLN 49 CO 0.00 -0.94 0.00 0.41 -2.12 0.00 0.00 175.29 172.64 1y69 n GLY 50 N 4.01 0.59 2.87 3.09 0.00 -1.26 -2.24 105.19 112.26 1y69 n GLY 50 Ca 0.15 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 1y69 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y69 s VAL 51 N -2.00 0.04 0.44 1.61 1.01 -1.15 -2.35 120.40 118.00 1y69 s VAL 51 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.03 1y69 s VAL 51 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 36.38 36.30 1y69 s VAL 51 CO 0.00 0.01 0.20 -0.83 0.00 0.00 0.00 175.10 174.48 1y69 s GLY 52 N 0.02 2.39 -0.06 4.51 0.00 -1.11 -4.40 107.32 108.68 1y69 s GLY 52 Ca -0.00 -1.88 0.06 0.00 0.00 0.00 0.00 44.72 42.90 1y69 s GLY 52 CO -0.00 -1.93 -0.24 -0.29 0.00 0.00 0.00 173.10 170.63 1y69 s MET 53 N -3.95 2.63 0.00 2.90 1.75 -1.26 -2.40 119.30 118.97 1y69 s MET 53 Ca 0.38 -0.89 -0.00 0.00 -1.25 0.00 0.00 55.69 53.93 1y69 s MET 53 Cb 0.03 -2.20 0.00 0.00 2.84 0.00 0.00 34.83 35.50 1y69 s MET 53 CO 0.21 0.36 0.01 0.41 -0.65 0.00 0.00 175.02 175.36 1y69 n GLY 54 N 3.01 0.12 0.27 2.11 0.00 -0.98 -4.79 105.19 104.93 1y69 n GLY 54 Ca -0.18 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 1y69 n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1y69 h ARG 55 N 0.00 -0.66 -1.44 1.61 2.43 -2.01 -2.79 114.38 111.52 1y69 h ARG 55 Ca -0.00 0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1y69 h ARG 55 Cb 0.01 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1y69 h ARG 55 CO 0.00 -0.44 0.11 -0.40 -1.51 0.00 0.00 179.97 177.73 1y69 n ASP 56 N -3.86 4.45 -2.99 -3.80 5.68 -1.26 -4.82 116.55 109.95 1y69 n ASP 56 Ca -0.09 -2.43 -0.09 0.00 -0.50 0.00 0.00 54.79 51.68 1y69 n ASP 56 Cb 0.27 -0.84 0.01 0.00 -1.14 0.00 0.00 41.12 39.42 1y69 n ASP 56 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1y69 n HIS 57 N 0.71 -3.25 -3.97 2.11 8.25 -1.05 -4.20 115.22 113.83 1y69 n HIS 57 Ca 0.09 1.29 -0.31 0.00 -0.26 0.00 0.00 57.72 58.54 1y69 n HIS 57 Cb 0.60 -3.88 -0.15 0.00 1.12 0.00 0.00 29.99 27.68 1y69 n HIS 57 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1y69 s THR 58 N -2.64 1.97 -0.30 1.59 -4.23 -1.26 -3.51 115.64 107.26 1y69 s THR 58 Ca 0.18 -2.07 -0.28 0.00 -1.18 0.00 0.00 61.69 58.34 1y69 s THR 58 Cb -0.05 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 1y69 s THR 58 CO 0.78 -0.55 1.89 -0.76 -0.54 0.00 0.00 174.62 175.44 1y69 s LEU 59 N 1.07 3.50 0.31 4.79 1.43 -1.19 -2.32 118.68 126.27 1y69 s LEU 59 Ca 0.09 1.46 0.09 0.00 -1.03 0.00 0.00 54.13 54.74 1y69 s LEU 59 Cb -0.19 -3.52 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 1y69 s LEU 59 CO -0.11 -1.75 0.05 0.72 0.23 0.00 0.00 176.35 175.49 1y69 s PHE 60 N 7.16 2.66 -0.30 0.29 -0.12 -1.01 -0.06 117.98 126.60 1y69 s PHE 60 Ca 0.85 -0.33 -0.27 0.00 -0.05 0.00 0.00 56.93 57.13 1y69 s PHE 60 Cb -0.25 -1.41 0.01 0.00 -0.63 0.00 0.00 43.02 40.73 1y69 s PHE 60 CO 0.34 0.49 0.98 0.00 -0.05 0.00 0.00 175.22 176.98 1y69 s ALA 61 N -2.41 3.54 -0.02 1.99 0.00 -0.55 -2.74 121.76 121.59 1y69 s ALA 61 Ca 0.34 -0.13 0.25 0.00 0.00 0.00 0.00 51.96 52.43 1y69 s ALA 61 Cb -0.04 -3.53 0.83 0.00 0.00 0.00 0.00 23.12 20.39 1y69 s ALA 61 CO 0.21 -1.31 1.78 -0.07 0.00 0.00 0.00 175.76 176.37 1y69 h LEU 62 N 9.77 0.00 -7.40 0.00 4.07 -1.81 0.29 115.31 120.23 1y69 h LEU 62 Ca -0.21 0.00 0.09 0.00 0.08 0.00 0.00 57.88 57.84 1y69 h LEU 62 Cb 1.07 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.71 1y69 h LEU 62 CO 0.98 0.15 0.37 -0.94 -1.08 0.00 0.00 178.44 177.92 1y69 s SER 63 N -6.09 -0.34 0.20 -0.43 1.04 -1.26 -4.78 113.70 102.05 1y69 s SER 63 Ca 0.02 -0.24 -0.31 0.00 0.48 0.00 0.00 55.95 55.91 1y69 s SER 63 Cb 0.09 0.54 -0.10 0.00 0.10 0.00 0.00 66.02 66.64 1y69 s SER 63 CO 0.63 -0.93 1.47 -1.81 0.98 0.00 0.00 173.24 173.58 1y69 s ASP 64 N -2.77 6.66 0.00 7.02 1.11 -1.26 -4.32 116.67 123.11 1y69 s ASP 64 Ca 0.07 2.59 0.00 0.00 0.18 0.00 0.00 52.55 55.40 1y69 s ASP 64 Cb -0.02 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.36 1y69 s ASP 64 CO -0.03 -0.73 0.00 0.61 1.18 0.00 0.00 175.17 176.20 1y69 n GLY 65 N 2.90 1.29 3.01 0.21 0.00 -1.23 -4.27 105.19 107.10 1y69 n GLY 65 Ca 0.10 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1y69 n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y69 s LYS 66 N 3.09 2.13 0.03 1.61 2.20 0.79 -3.54 119.74 126.06 1y69 s LYS 66 Ca 0.00 -0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 1y69 s LYS 66 Cb 0.00 -1.95 -0.07 0.00 -1.51 0.00 0.00 37.83 34.30 1y69 s LYS 66 CO 0.00 -0.20 1.55 0.08 -0.36 0.00 0.00 175.35 176.43 1y69 s VAL 67 N 1.39 3.34 -0.02 4.02 1.01 -0.58 -1.03 120.40 128.52 1y69 s VAL 67 Ca 0.02 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.76 1y69 s VAL 67 Cb -0.13 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1y69 s VAL 67 CO -0.08 -0.01 -0.07 -0.69 0.00 0.00 0.00 175.10 174.26 1y69 s VAL 68 N 2.63 0.61 -0.08 2.92 1.01 -0.16 -1.35 120.40 125.98 1y69 s VAL 68 Ca 0.70 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 1y69 s VAL 68 Cb -0.36 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1y69 s VAL 68 CO 0.30 0.20 0.09 -0.36 0.00 0.00 0.00 175.10 175.33 1y69 s PHE 69 N 0.24 3.41 -0.03 5.22 0.40 -1.26 -1.89 117.98 124.06 1y69 s PHE 69 Ca -0.03 0.36 0.01 0.00 -0.60 0.00 0.00 56.93 56.67 1y69 s PHE 69 Cb -0.08 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.62 1y69 s PHE 69 CO 0.00 0.62 -0.05 0.42 0.70 0.00 0.00 175.22 176.91 1y69 s ILE 70 N -1.05 0.52 0.01 0.64 1.01 -0.57 -4.98 121.20 116.79 1y69 s ILE 70 Ca 0.17 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.67 1y69 s ILE 70 Cb -0.12 -0.52 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 1y69 s ILE 70 CO 0.07 0.20 -0.05 0.54 0.00 0.00 0.00 174.94 175.70 1y69 s ASN 71 N 0.59 0.55 -0.08 3.58 4.22 -1.26 -2.31 114.94 120.23 1y69 s ASN 71 Ca -0.08 -0.19 0.13 0.00 -2.14 0.00 0.00 52.86 50.59 1y69 s ASN 71 Cb -0.11 -0.03 0.41 0.00 1.28 0.00 0.00 41.25 42.80 1y69 s ASN 71 CO 0.00 -0.02 1.33 0.29 -2.04 0.00 0.00 177.10 176.67 1y69 n LYS 72 N 2.61 2.90 -0.02 3.55 5.02 -1.26 -4.95 118.16 126.01 1y69 n LYS 72 Ca -0.15 -2.42 0.00 0.00 -2.02 0.00 0.00 58.31 53.72 1y69 n LYS 72 Cb 0.58 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1y69 n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y69 n GLY 73 N 0.02 0.80 7.00 0.72 0.00 -1.26 -5.02 105.19 107.44 1y69 n GLY 73 Ca 0.16 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1y69 n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y69 n LYS 74 N -0.01 0.00 0.00 1.61 4.76 -1.26 -4.84 118.16 118.42 1y69 n LYS 74 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1y69 n LYS 74 Cb 0.01 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.20 1y69 n LYS 74 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1y69 n GLY 75 N 0.00 1.30 3.64 0.72 0.00 -1.26 -4.71 105.19 104.88 1y69 n GLY 75 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1y69 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y69 s ALA 76 N 0.00 -1.89 -0.24 4.61 0.00 -1.26 -5.04 121.76 117.94 1y69 s ALA 76 Ca 0.00 2.22 0.01 0.00 0.00 0.00 0.00 51.96 54.19 1y69 s ALA 76 Cb 0.00 -1.37 0.06 0.00 0.00 0.00 0.00 23.12 21.81 1y69 s ALA 76 CO 0.00 -0.35 -0.07 1.03 0.00 0.00 0.00 175.76 176.37 1y69 s ARG 77 N 1.03 1.79 0.33 0.00 0.52 -1.24 -4.26 118.95 117.14 1y69 s ARG 77 Ca -0.05 -1.04 -0.10 0.00 -0.52 0.00 0.00 55.73 54.01 1y69 s ARG 77 Cb -0.05 -2.63 -0.07 0.00 0.52 0.00 0.00 34.95 32.73 1y69 s ARG 77 CO -0.11 -0.57 0.68 -0.06 0.02 0.00 0.00 175.30 175.26 1y69 s PHE 78 N 1.34 3.44 -0.29 -0.53 0.40 -0.98 -0.33 117.98 121.03 1y69 s PHE 78 Ca -0.06 0.97 0.01 0.00 -0.60 0.00 0.00 56.93 57.25 1y69 s PHE 78 Cb -0.19 -2.37 0.09 0.00 0.51 0.00 0.00 43.02 41.06 1y69 s PHE 78 CO -0.06 0.06 0.04 0.42 0.70 0.00 0.00 175.22 176.38 1y69 s ILE 79 N -2.13 1.38 0.25 0.64 1.01 -0.91 -1.51 121.20 119.93 1y69 s ILE 79 Ca 0.50 -1.51 0.03 0.00 0.00 0.00 0.00 60.65 59.66 1y69 s ILE 79 Cb -0.10 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1y69 s ILE 79 CO 0.26 -0.45 0.40 -0.94 0.00 0.00 0.00 174.94 174.21 1y69 s SER 80 N 1.40 6.33 -0.13 3.58 1.04 -0.79 -2.00 113.70 123.12 1y69 s SER 80 Ca 0.05 0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.72 1y69 s SER 80 Cb -0.18 -1.93 0.02 0.00 0.10 0.00 0.00 66.02 64.02 1y69 s SER 80 CO -0.14 -0.11 -0.16 -0.63 0.98 0.00 0.00 173.24 173.18 1y69 s ILE 81 N -2.02 1.62 -0.46 -1.02 1.01 -0.95 -0.99 121.20 118.39 1y69 s ILE 81 Ca 0.36 -0.69 -0.22 0.00 0.00 0.00 0.00 60.65 60.11 1y69 s ILE 81 Cb -0.10 -1.49 0.03 0.00 0.01 0.00 0.00 42.46 40.92 1y69 s ILE 81 CO 0.31 0.47 0.72 -1.61 0.00 0.00 0.00 174.94 174.82 1y69 s GLU 82 N 1.22 3.30 0.64 2.79 2.02 -0.20 -4.70 118.70 123.78 1y69 s GLU 82 Ca -0.01 -0.35 -0.18 0.00 0.02 0.00 0.00 54.97 54.46 1y69 s GLU 82 Cb -0.14 -3.98 -0.01 0.00 0.10 0.00 0.00 34.13 30.10 1y69 s GLU 82 CO -0.06 -1.12 1.24 0.00 0.02 0.00 0.00 175.26 175.33 1y69 s ALA 83 N 3.07 2.39 0.66 5.21 0.00 -1.26 -0.15 121.76 131.68 1y69 s ALA 83 Ca 0.25 1.06 -0.07 0.00 0.00 0.00 0.00 51.96 53.19 1y69 s ALA 83 Cb -0.14 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.52 1y69 s ALA 83 CO 0.19 -1.49 0.99 0.00 0.00 0.00 0.00 175.76 175.45 1y69 s ALA 84 N -1.60 3.14 0.00 0.00 0.00 -1.26 -4.85 121.76 117.19 1y69 s ALA 84 Ca 0.79 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1y69 s ALA 84 Cb -0.33 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1y69 s ALA 84 CO 0.38 -1.08 0.00 1.04 0.00 0.00 0.00 175.76 176.10