#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyi s VAL 2 N 0.00 5.25 -0.12 0.00 0.11 -1.26 -4.96 120.40 119.43 1xyi s VAL 2 Ca 0.00 -0.33 -0.03 0.00 -2.93 0.00 0.00 61.98 58.69 1xyi s VAL 2 Cb 0.00 -3.69 -0.03 0.00 -1.53 0.00 0.00 36.38 31.13 1xyi s VAL 2 CO 0.00 -0.05 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.17 1xyi s LYS 3 N -2.99 3.28 -0.21 1.54 1.02 -1.26 -1.22 119.74 119.90 1xyi s LYS 3 Ca 0.38 -0.45 -0.12 0.00 0.02 0.00 0.00 55.97 55.80 1xyi s LYS 3 Cb -0.12 -2.86 -0.05 0.00 -0.52 0.00 0.00 37.83 34.29 1xyi s LYS 3 CO 0.28 0.51 0.22 0.08 -0.92 0.00 0.00 175.35 175.52 1xyi s VAL 4 N -0.36 5.34 -0.20 3.17 1.01 0.14 -4.91 120.40 124.59 1xyi s VAL 4 Ca 0.07 0.34 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 1xyi s VAL 4 Cb -0.12 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1xyi s VAL 4 CO 0.02 0.36 0.14 -0.54 0.00 0.00 0.00 175.10 175.08 1xyi s LYS 5 N 0.82 4.19 0.11 2.72 1.02 -1.26 -1.42 119.74 125.92 1xyi s LYS 5 Ca 0.11 -0.21 -0.10 0.00 0.02 0.00 0.00 55.97 55.80 1xyi s LYS 5 Cb -0.13 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 1xyi s LYS 5 CO 0.03 0.29 0.24 -0.59 -0.92 0.00 0.00 175.35 174.41 1xyi s PHE 6 N 0.38 0.17 -0.19 3.18 -0.71 -0.66 -4.93 117.98 115.22 1xyi s PHE 6 Ca 0.08 -0.57 -0.08 0.00 -1.04 0.00 0.00 56.93 55.33 1xyi s PHE 6 Cb -0.11 -0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.64 1xyi s PHE 6 CO -0.02 -0.61 0.08 0.21 -1.34 0.00 0.00 175.22 173.54 1xyi s LYS 7 N -3.88 3.97 -0.16 1.99 2.20 -1.26 -0.38 119.74 122.21 1xyi s LYS 7 Ca 0.08 -0.34 -0.01 0.00 -0.36 0.00 0.00 55.97 55.33 1xyi s LYS 7 Cb 0.04 -3.27 0.05 0.00 -1.51 0.00 0.00 37.83 33.14 1xyi s LYS 7 CO -0.08 0.21 -0.01 -0.47 -0.36 0.00 0.00 175.35 174.64 1xyi s TYR 8 N 0.55 1.33 -1.43 4.03 5.04 -0.24 -4.75 117.35 121.89 1xyi s TYR 8 Ca 0.04 -0.88 -0.07 0.00 -2.44 0.00 0.00 57.07 53.72 1xyi s TYR 8 Cb -0.13 -1.14 0.04 0.00 0.35 0.00 0.00 41.96 41.08 1xyi s TYR 8 CO 0.01 -0.57 0.82 1.63 -1.34 0.00 0.00 175.55 176.09 1xyi n LYS 9 N 4.97 -5.08 0.00 4.97 5.02 -1.26 -1.43 118.16 125.35 1xyi n LYS 9 Ca -0.10 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1xyi n LYS 9 Cb 0.48 -5.28 0.00 0.00 -0.02 0.00 0.00 35.03 30.21 1xyi n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xyi n GLY 10 N -1.66 2.87 3.82 0.72 0.00 -1.26 -5.02 105.19 104.66 1xyi n GLY 10 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1xyi n GLY 10 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xyi s GLU 11 N -0.08 4.15 -0.20 1.61 2.12 -0.52 -5.02 118.70 120.75 1xyi s GLU 11 Ca 0.00 1.11 -0.20 0.00 0.36 0.00 0.00 54.97 56.24 1xyi s GLU 11 Cb 0.00 -2.17 -0.03 0.00 0.26 0.00 0.00 34.13 32.20 1xyi s GLU 11 CO 0.00 -0.10 0.60 -2.00 -0.54 0.00 0.00 175.26 173.22 1xyi s GLU 12 N -3.34 4.19 0.23 4.30 2.56 -1.26 -1.07 118.70 124.31 1xyi s GLU 12 Ca 0.62 0.55 0.05 0.00 0.00 0.00 0.00 54.97 56.20 1xyi s GLU 12 Cb -0.10 -3.58 -0.05 0.00 2.00 0.00 0.00 34.13 32.40 1xyi s GLU 12 CO 0.17 -0.24 -0.06 0.15 -0.56 0.00 0.00 175.26 174.72 1xyi s LYS 13 N 1.91 1.38 -0.06 4.30 -0.14 0.48 -4.98 119.74 122.63 1xyi s LYS 13 Ca 0.27 -1.67 -0.10 0.00 -1.36 0.00 0.00 55.97 53.11 1xyi s LYS 13 Cb -0.16 -0.90 0.02 0.00 -1.68 0.00 0.00 37.83 35.11 1xyi s LYS 13 CO 0.10 0.02 0.24 -1.21 -0.76 0.00 0.00 175.35 173.74 1xyi s GLU 14 N -3.76 0.40 -0.04 1.68 2.02 -1.26 -1.65 118.70 116.09 1xyi s GLU 14 Ca 0.26 0.10 -0.03 0.00 0.02 0.00 0.00 54.97 55.32 1xyi s GLU 14 Cb 0.03 0.18 0.01 0.00 0.10 0.00 0.00 34.13 34.46 1xyi s GLU 14 CO 0.08 -0.08 0.09 0.54 0.02 0.00 0.00 175.26 175.92 1xyi s VAL 15 N -0.45 -0.01 0.39 2.63 0.11 -0.50 -4.95 120.40 117.62 1xyi s VAL 15 Ca -0.06 0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 58.76 1xyi s VAL 15 Cb -0.04 -0.14 -0.09 0.00 -1.53 0.00 0.00 36.38 34.59 1xyi s VAL 15 CO 0.01 0.01 1.18 -1.81 -3.33 0.00 0.00 175.10 171.16 1xyi s ASP 16 N 0.18 6.58 0.48 3.54 1.01 -1.26 0.26 116.67 127.46 1xyi s ASP 16 Ca -0.01 2.37 0.18 0.00 0.71 0.00 0.00 52.55 55.80 1xyi s ASP 16 Cb -0.02 -2.62 1.19 0.00 1.01 0.00 0.00 42.92 42.49 1xyi s ASP 16 CO -0.00 -0.64 2.02 0.71 0.21 0.00 0.00 175.17 177.46 1xyi h THR 17 N 2.42 0.86 0.00 -1.27 1.35 -1.53 0.55 112.91 115.29 1xyi h THR 17 Ca -0.49 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1xyi h THR 17 Cb 1.23 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1xyi h THR 17 CO 0.63 0.04 0.00 -1.54 -0.25 0.00 0.00 175.52 174.40 1xyi n SER 18 N -4.45 0.00 -0.31 5.36 3.41 -1.26 -1.81 113.62 114.56 1xyi n SER 18 Ca 0.07 0.30 0.11 0.00 -0.26 0.00 0.00 58.87 59.09 1xyi n SER 18 Cb 0.40 -0.38 0.02 0.00 -0.26 0.00 0.00 64.21 63.99 1xyi n SER 18 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xyi n LYS 19 N -1.38 0.77 -2.62 4.33 4.76 0.18 -4.93 118.16 119.27 1xyi n LYS 19 Ca 0.04 -0.62 -0.42 0.00 -2.87 0.00 0.00 58.31 54.44 1xyi n LYS 19 Cb 0.10 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.77 1xyi n LYS 19 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1xyi s ILE 20 N -2.65 4.62 -0.18 -0.18 1.01 -0.75 -1.56 121.20 121.51 1xyi s ILE 20 Ca 0.16 1.88 -0.18 0.00 0.00 0.00 0.00 60.65 62.51 1xyi s ILE 20 Cb 0.18 -4.21 -0.21 0.00 0.01 0.00 0.00 42.46 38.23 1xyi s ILE 20 CO 0.66 0.12 0.28 0.11 0.00 0.00 0.00 174.94 176.10 1xyi h LYS 21 N 6.87 0.07 -3.33 2.79 1.57 -1.26 -3.48 116.57 119.81 1xyi h LYS 21 Ca -0.40 -0.13 -0.19 0.00 -1.87 0.00 0.00 60.65 58.07 1xyi h LYS 21 Cb 1.21 0.05 -0.27 0.00 0.08 0.00 0.00 32.23 33.30 1xyi h LYS 21 CO 0.78 1.06 -0.53 0.21 -0.57 0.00 0.00 179.45 180.40 1xyi s LYS 22 N -2.41 0.18 -0.02 3.15 2.20 -1.24 -4.99 119.74 116.62 1xyi s LYS 22 Ca -0.27 0.24 0.03 0.00 -0.36 0.00 0.00 55.97 55.62 1xyi s LYS 22 Cb 0.06 0.07 -0.01 0.00 -1.51 0.00 0.00 37.83 36.44 1xyi s LYS 22 CO 0.64 -0.03 -0.12 0.08 -0.36 0.00 0.00 175.35 175.56 1xyi s VAL 23 N 0.18 0.93 0.28 4.02 1.01 -1.26 -1.57 120.40 124.00 1xyi s VAL 23 Ca -0.01 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 1xyi s VAL 23 Cb -0.02 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 1xyi s VAL 23 CO -0.00 0.27 0.46 -1.66 0.00 0.00 0.00 175.10 174.16 1xyi s TRP 24 N -0.14 0.68 -0.22 5.22 -2.14 -0.08 -4.86 118.94 117.41 1xyi s TRP 24 Ca 0.02 -1.00 -0.01 0.00 2.66 0.00 0.00 56.10 57.77 1xyi s TRP 24 Cb -0.06 0.05 0.01 0.00 -3.10 0.00 0.00 33.47 30.37 1xyi s TRP 24 CO -0.00 -1.04 -0.10 0.50 -2.66 0.00 0.00 176.95 173.65 1xyi s ARG 25 N -3.60 3.06 -0.45 3.25 3.52 -1.26 -0.57 118.95 122.90 1xyi s ARG 25 Ca 0.27 -0.81 -0.05 0.00 -0.13 0.00 0.00 55.73 55.01 1xyi s ARG 25 Cb -0.00 -2.85 0.12 0.00 -1.56 0.00 0.00 34.95 30.66 1xyi s ARG 25 CO 0.13 -0.27 0.27 0.00 -0.81 0.00 0.00 175.30 174.63 1xyi s ALA 26 N 1.36 3.27 0.00 6.12 0.00 -0.53 -4.96 121.76 127.03 1xyi s ALA 26 Ca 0.04 -2.61 0.00 0.00 0.00 0.00 0.00 51.96 49.38 1xyi s ALA 26 Cb -0.15 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1xyi s ALA 26 CO -0.07 -1.86 0.00 0.41 0.00 0.00 0.00 175.76 174.24 1xyi n GLY 27 N 4.58 3.38 0.92 0.00 0.00 -1.26 -1.29 105.19 111.51 1xyi n GLY 27 Ca -0.03 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.96 1xyi n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xyi n LYS 28 N 13.32 2.63 -2.91 1.61 5.02 -1.26 -4.88 118.16 131.69 1xyi n LYS 28 Ca 0.00 -2.22 -0.43 0.00 -2.02 0.00 0.00 58.31 53.64 1xyi n LYS 28 Cb 0.00 -1.39 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 1xyi n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xyi s ALA 29 N -1.05 3.22 -0.34 7.82 0.00 -0.41 -2.24 121.76 128.76 1xyi s ALA 29 Ca 0.33 -1.28 -0.29 0.00 0.00 0.00 0.00 51.96 50.72 1xyi s ALA 29 Cb 0.17 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1xyi s ALA 29 CO 0.23 -2.24 1.35 0.08 0.00 0.00 0.00 175.76 175.18 1xyi s VAL 30 N 3.62 4.04 0.12 0.00 1.01 0.29 -1.45 120.40 128.03 1xyi s VAL 30 Ca 0.28 1.14 0.07 0.00 0.00 0.00 0.00 61.98 63.46 1xyi s VAL 30 Cb -0.14 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1xyi s VAL 30 CO 0.19 -0.58 -0.06 -0.44 0.00 0.00 0.00 175.10 174.21 1xyi s SER 31 N 3.24 4.60 -0.04 3.32 0.01 0.26 -1.22 113.70 123.86 1xyi s SER 31 Ca 0.58 -0.35 -0.30 0.00 1.31 0.00 0.00 55.95 57.19 1xyi s SER 31 Cb -0.16 -0.94 0.08 0.00 0.21 0.00 0.00 66.02 65.21 1xyi s SER 31 CO 0.27 0.16 0.72 0.72 0.41 0.00 0.00 173.24 175.51 1xyi s PHE 32 N -1.36 -0.60 0.24 2.43 -0.71 -0.35 -0.90 117.98 116.74 1xyi s PHE 32 Ca 0.24 0.97 0.07 0.00 -1.04 0.00 0.00 56.93 57.17 1xyi s PHE 32 Cb -0.11 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.10 1xyi s PHE 32 CO 0.16 -0.60 0.15 0.95 -1.34 0.00 0.00 175.22 174.54 1xyi s THR 33 N -1.46 4.26 0.21 -4.49 -4.23 -0.61 -0.52 115.64 108.80 1xyi s THR 33 Ca -0.08 -1.46 -0.18 0.00 -1.18 0.00 0.00 61.69 58.79 1xyi s THR 33 Cb -0.00 -3.28 0.02 0.00 1.34 0.00 0.00 72.50 70.58 1xyi s THR 33 CO 0.06 -0.33 0.55 -0.72 -0.54 0.00 0.00 174.62 173.65 1xyi s TYR 34 N -2.12 -0.09 -0.21 3.99 1.13 -0.30 -0.73 117.35 119.02 1xyi s TYR 34 Ca 0.32 -0.26 -0.02 0.00 -1.41 0.00 0.00 57.07 55.69 1xyi s TYR 34 Cb -0.08 0.42 0.06 0.00 -1.10 0.00 0.00 41.96 41.27 1xyi s TYR 34 CO 0.24 -0.97 0.03 0.34 -2.51 0.00 0.00 175.55 172.68 1xyi s ASP 35 N -2.89 3.13 -0.45 -0.18 3.68 -0.60 -1.35 116.67 118.01 1xyi s ASP 35 Ca 0.11 -0.95 -0.06 0.00 2.13 0.00 0.00 52.55 53.78 1xyi s ASP 35 Cb -0.02 -0.68 0.12 0.00 -1.45 0.00 0.00 42.92 40.89 1xyi s ASP 35 CO -0.01 -0.31 0.28 -0.62 0.13 0.00 0.00 175.17 174.64 1xyi s ASP 36 N 1.79 5.47 -1.41 -0.34 -1.08 0.18 -4.71 116.67 116.57 1xyi s ASP 36 Ca -0.00 -2.01 -0.03 0.00 -0.52 0.00 0.00 52.55 49.99 1xyi s ASP 36 Cb -0.17 -1.91 0.02 0.00 -1.46 0.00 0.00 42.92 39.39 1xyi s ASP 36 CO -0.10 -0.61 0.59 -3.20 0.52 0.00 0.00 175.17 172.37 1xyi n ASN 37 N 4.70 -1.24 0.00 -0.34 5.15 -1.26 -0.89 115.26 121.38 1xyi n ASN 37 Ca -0.04 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 53.01 1xyi n ASN 37 Cb 0.41 -3.42 0.00 0.00 -0.53 0.00 0.00 39.78 36.24 1xyi n ASN 37 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xyi n GLY 38 N -1.78 2.38 3.45 8.20 0.00 -1.26 -5.01 105.19 111.16 1xyi n GLY 38 Ca -0.24 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 1xyi n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xyi s LYS 39 N -0.66 3.15 -0.03 1.61 -0.14 -0.07 -5.03 119.74 118.56 1xyi s LYS 39 Ca 0.00 -0.83 -0.19 0.00 -1.36 0.00 0.00 55.97 53.59 1xyi s LYS 39 Cb 0.00 -4.11 -0.05 0.00 -1.68 0.00 0.00 37.83 31.99 1xyi s LYS 39 CO 0.00 -1.32 0.52 0.99 -0.76 0.00 0.00 175.35 174.78 1xyi s THR 40 N 2.91 5.01 0.11 2.17 2.01 -1.26 -0.64 115.64 125.94 1xyi s THR 40 Ca 0.17 1.08 -0.05 0.00 0.31 0.00 0.00 61.69 63.20 1xyi s THR 40 Cb -0.19 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.49 1xyi s THR 40 CO 0.12 0.43 0.27 0.61 -0.69 0.00 0.00 174.62 175.37 1xyi n GLY 41 N 2.55 1.53 2.94 4.40 0.00 -0.46 -5.00 105.19 111.15 1xyi n GLY 41 Ca -0.08 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 1xyi n GLY 41 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xyi s ARG 42 N -2.03 0.26 0.17 1.61 3.52 -1.26 -1.15 118.95 120.07 1xyi s ARG 42 Ca 0.06 -0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 55.37 1xyi s ARG 42 Cb -0.01 -0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.19 1xyi s ARG 42 CO 0.03 0.03 0.11 0.20 -0.81 0.00 0.00 175.30 174.86 1xyi s GLY 43 N -0.53 1.18 -0.07 8.12 0.00 0.32 -5.01 107.32 111.33 1xyi s GLY 43 Ca -0.04 -1.55 -0.25 0.00 0.00 0.00 0.00 44.72 42.88 1xyi s GLY 43 CO -0.00 -1.35 0.57 0.00 0.00 0.00 0.00 173.10 172.32 1xyi s ALA 44 N -4.10 -1.47 0.09 3.20 0.00 -1.26 -1.21 121.76 117.01 1xyi s ALA 44 Ca 0.31 1.13 -0.03 0.00 0.00 0.00 0.00 51.96 53.37 1xyi s ALA 44 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1xyi s ALA 44 CO 0.07 -0.33 0.06 0.14 0.00 0.00 0.00 175.76 175.70 1xyi s VAL 45 N -0.98 0.16 0.59 0.00 -7.23 -0.36 -4.47 120.40 108.12 1xyi s VAL 45 Ca -0.10 -1.69 -0.17 0.00 -1.81 0.00 0.00 61.98 58.21 1xyi s VAL 45 Cb -0.02 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1xyi s VAL 45 CO 0.07 -0.73 1.08 -0.94 -0.31 0.00 0.00 175.10 174.26 1xyi s SER 46 N -2.95 5.70 0.27 4.85 1.04 -1.26 -0.55 113.70 120.81 1xyi s SER 46 Ca 0.12 1.92 -0.04 0.00 0.48 0.00 0.00 55.95 58.44 1xyi s SER 46 Cb 0.07 -2.55 0.36 0.00 0.10 0.00 0.00 66.02 64.00 1xyi s SER 46 CO -0.06 -1.22 1.94 -0.08 0.98 0.00 0.00 173.24 174.80 1xyi h GLU 47 N 0.60 1.20 0.00 4.02 4.81 -1.83 -0.97 114.58 122.41 1xyi h GLU 47 Ca -0.48 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1xyi h GLU 47 Cb 1.23 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1xyi h GLU 47 CO 0.57 0.79 0.00 -0.22 -0.73 0.00 0.00 179.01 179.42 1xyi h LYS 48 N 1.24 0.00 -0.01 1.92 3.64 -1.91 -2.80 116.57 118.65 1xyi h LYS 48 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1xyi h LYS 48 Cb -0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1xyi h LYS 48 CO -0.08 0.00 -0.08 -0.25 -2.27 0.00 0.00 179.45 176.77 1xyi n ASP 49 N -2.61 1.86 -4.75 4.20 10.43 -0.45 -5.01 116.55 120.22 1xyi n ASP 49 Ca 0.01 -1.43 -0.40 0.00 2.57 0.00 0.00 54.79 55.53 1xyi n ASP 49 Cb 0.21 0.15 -0.04 0.00 1.84 0.00 0.00 41.12 43.27 1xyi n ASP 49 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xyi s ALA 50 N -1.24 3.41 0.67 2.24 0.00 -0.71 -4.91 121.76 121.22 1xyi s ALA 50 Ca 0.14 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 52.88 1xyi s ALA 50 Cb 0.11 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.88 1xyi s ALA 50 CO 0.21 -0.21 1.07 -1.25 0.00 0.00 0.00 175.76 175.58 1xyi s PRO 51 N -1.19 2.94 0.30 0.00 0.04 -1.26 -4.82 135.00 131.01 1xyi s PRO 51 Ca 0.46 1.12 0.02 0.00 0.04 0.00 0.00 61.00 62.64 1xyi s PRO 51 Cb -0.32 -1.98 0.56 0.00 0.04 0.00 0.00 34.50 32.80 1xyi s PRO 51 CO 0.40 -1.11 1.89 -0.22 0.04 0.00 0.00 177.00 178.01 1xyi h LYS 52 N -0.30 0.96 -0.78 4.56 3.64 -1.99 -0.41 116.57 122.25 1xyi h LYS 52 Ca -0.45 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1xyi h LYS 52 Cb 1.22 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 1xyi h LYS 52 CO 0.56 0.64 0.51 0.93 -2.27 0.00 0.00 179.45 179.82 1xyi h GLU 53 N 0.99 0.99 -0.24 1.90 3.07 -1.99 0.13 114.58 119.43 1xyi h GLU 53 Ca 0.42 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 59.09 1xyi h GLU 53 Cb 0.31 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1xyi h GLU 53 CO -0.18 0.65 -0.37 1.25 -1.40 0.00 0.00 179.01 178.96 1xyi h LEU 54 N 1.02 0.74 -1.33 1.33 5.85 -1.45 -1.90 115.31 119.55 1xyi h LEU 54 Ca 0.29 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1xyi h LEU 54 Cb -0.06 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1xyi h LEU 54 CO -0.07 1.12 0.22 -0.07 -0.34 0.00 0.00 178.44 179.30 1xyi h LEU 55 N 0.38 0.61 -0.73 2.25 3.38 -0.91 -0.37 115.31 119.92 1xyi h LEU 55 Ca 0.02 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1xyi h LEU 55 Cb 0.96 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1xyi h LEU 55 CO 0.09 0.53 -0.34 0.44 0.09 0.00 0.00 178.44 179.24 1xyi h ASP 56 N 0.68 0.61 -0.70 -0.43 3.32 -0.57 -0.60 116.42 118.73 1xyi h ASP 56 Ca 0.17 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 1xyi h ASP 56 Cb 0.09 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1xyi h ASP 56 CO -0.02 0.90 0.18 0.24 -1.72 0.00 0.00 179.24 178.82 1xyi h MET 57 N 0.49 1.12 -0.31 3.56 2.86 -0.63 -1.94 114.93 120.08 1xyi h MET 57 Ca 0.05 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1xyi h MET 57 Cb 0.83 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1xyi h MET 57 CO 0.07 0.98 0.15 1.25 1.06 0.00 0.00 176.91 180.42 1xyi h LEU 58 N 1.05 0.40 -1.09 1.22 5.85 -0.63 -1.71 115.31 120.39 1xyi h LEU 58 Ca 0.22 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1xyi h LEU 58 Cb 0.36 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1xyi h LEU 58 CO 0.00 0.40 0.61 0.00 -0.34 0.00 0.00 178.44 179.12 1xyi h ALA 59 N 1.01 1.35 -0.63 1.25 0.00 -0.86 -0.06 119.26 121.31 1xyi h ALA 59 Ca 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1xyi h ALA 59 Cb 0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1xyi h ALA 59 CO -0.01 0.59 0.20 0.00 0.00 0.00 0.00 179.25 180.03 1xyi h ARG 60 N 1.24 0.96 -0.16 0.00 3.08 -1.02 -2.14 114.38 116.35 1xyi h ARG 60 Ca 0.34 -0.19 -0.15 0.00 0.07 0.00 0.00 59.98 60.06 1xyi h ARG 60 Cb -0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 1xyi h ARG 60 CO -0.08 0.83 -0.54 0.00 -1.07 0.00 0.00 179.97 179.10 1xyi h ALA 61 N 1.28 0.77 0.00 0.04 0.00 -0.56 -2.91 119.26 117.88 1xyi h ALA 61 Ca 0.21 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xyi h ALA 61 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xyi h ALA 61 CO -0.01 0.69 0.00 0.93 0.00 0.00 0.00 179.25 180.86 1xyi h GLU 62 N 0.36 0.00 0.00 0.00 5.08 -0.62 -2.51 114.58 116.88 1xyi h GLU 62 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xyi h GLU 62 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1xyi h GLU 62 CO 0.10 0.00 0.00 -0.09 -1.00 0.00 0.00 179.01 178.02 1xyi h ARG 63 N 0.00 0.00 -6.43 2.33 9.65 -1.19 -3.46 114.38 115.28 1xyi h ARG 63 Ca 0.00 0.00 -0.45 0.00 -1.10 0.00 0.00 59.98 58.43 1xyi h ARG 63 Cb 0.49 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.08 1xyi h ARG 63 CO 0.00 0.00 -0.27 -1.83 2.80 0.00 0.00 179.97 180.67 1xyi s GLU 64 N -3.33 3.19 0.88 0.20 -1.05 -0.95 -5.08 118.70 112.57 1xyi s GLU 64 Ca 0.06 -0.74 -0.11 0.00 -0.15 0.00 0.00 54.97 54.03 1xyi s GLU 64 Cb 0.08 -2.74 0.13 0.00 -0.44 0.00 0.00 34.13 31.16 1xyi s GLU 64 CO 0.60 0.03 1.15 -1.59 0.95 0.00 0.00 175.26 176.39 1xyi s LYS 65 N -4.27 1.27 0.00 -4.83 -2.85 -1.26 -5.05 119.74 102.74 1xyi s LYS 65 Ca 0.44 1.52 0.13 0.00 -1.00 0.00 0.00 55.97 57.06 1xyi s LYS 65 Cb -0.10 -1.76 0.10 0.00 -2.06 0.00 0.00 37.83 34.02 1xyi s LYS 65 CO 0.33 -2.44 0.92 1.63 0.10 0.00 0.00 175.35 175.89