#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1o s VAL 2 N 0.00 3.01 -0.28 1.12 0.11 -1.26 -0.77 120.40 122.33 3i1o s VAL 2 Ca 0.00 0.54 -0.17 0.00 -2.93 0.00 0.00 61.98 59.41 3i1o s VAL 2 Cb 0.00 -3.11 0.12 0.00 -1.53 0.00 0.00 36.38 31.86 3i1o s VAL 2 CO 0.00 -0.22 0.88 0.28 -3.33 0.00 0.00 175.10 172.71 3i1o s THR 3 N -2.03 0.00 -0.24 5.04 -1.32 0.27 -3.11 115.64 114.26 3i1o s THR 3 Ca 0.71 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.93 3i1o s THR 3 Cb -0.24 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.75 3i1o s THR 3 CO 0.37 0.00 0.92 -0.63 -2.21 0.00 0.00 174.62 173.06 3i1o s ILE 4 N 1.27 4.77 0.11 5.08 1.09 -0.43 -1.73 121.20 131.36 3i1o s ILE 4 Ca -0.08 1.76 -0.01 0.00 -1.10 0.00 0.00 60.65 61.22 3i1o s ILE 4 Cb -0.04 -4.20 0.01 0.00 -1.06 0.00 0.00 42.46 37.16 3i1o s ILE 4 CO -0.15 -0.12 0.17 -2.11 -0.10 0.00 0.00 174.94 172.63 3i1o n ARG 5 N 6.12 0.24 -4.61 2.79 1.85 -0.46 -0.29 116.66 122.30 3i1o n ARG 5 Ca 0.08 -0.80 -0.23 0.00 -1.00 0.00 0.00 57.85 55.90 3i1o n ARG 5 Cb 0.47 0.82 -0.16 0.00 -1.05 0.00 0.00 32.46 32.54 3i1o n ARG 5 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 3i1o s LEU 6 N 0.00 1.82 -0.16 2.89 0.05 -1.26 0.15 118.68 122.17 3i1o s LEU 6 Ca 0.08 -0.27 -0.08 0.00 0.05 0.00 0.00 54.13 53.90 3i1o s LEU 6 Cb -0.01 -0.77 -0.04 0.00 -2.05 0.00 0.00 46.19 43.32 3i1o s LEU 6 CO 0.06 0.10 0.13 0.00 -0.55 0.00 0.00 176.35 176.09 3i1o s ALA 7 N 0.18 3.77 -0.17 1.48 0.00 -1.24 -4.81 121.76 120.97 3i1o s ALA 7 Ca -0.05 -0.67 -0.29 0.00 0.00 0.00 0.00 51.96 50.95 3i1o s ALA 7 Cb -0.11 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 3i1o s ALA 7 CO 0.02 0.39 1.33 0.50 0.00 0.00 0.00 175.76 177.99 3i1o s ARG 8 N -0.33 4.18 0.00 0.00 3.52 -1.26 -2.24 118.95 122.83 3i1o s ARG 8 Ca 0.11 1.69 0.00 0.00 -0.13 0.00 0.00 55.73 57.40 3i1o s ARG 8 Cb -0.12 -3.81 0.00 0.00 -1.56 0.00 0.00 34.95 29.46 3i1o s ARG 8 CO 0.01 -0.78 0.00 0.72 -0.81 0.00 0.00 175.30 174.44 3i1o n HIS 9 N 6.82 0.00 -4.73 5.12 8.25 -0.92 -4.95 115.22 124.81 3i1o n HIS 9 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 3i1o n HIS 9 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 3i1o n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i1o n GLY 10 N 3.55 1.86 3.24 -1.41 0.00 -1.23 -3.15 105.19 108.04 3i1o n GLY 10 Ca 0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 3i1o n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1o s ALA 11 N -1.95 1.45 -0.17 4.61 0.00 0.29 -4.89 121.76 121.11 3i1o s ALA 11 Ca 0.00 -1.80 -0.41 0.00 0.00 0.00 0.00 51.96 49.75 3i1o s ALA 11 Cb 0.00 1.35 -0.18 0.00 0.00 0.00 0.00 23.12 24.29 3i1o s ALA 11 CO 0.00 -0.58 1.44 1.17 0.00 0.00 0.00 175.76 177.78 3i1o n LYS 12 N -0.40 0.58 -0.92 0.00 4.81 -1.26 0.70 118.16 121.67 3i1o n LYS 12 Ca 0.03 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 3i1o n LYS 12 Cb 0.65 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 33.91 3i1o n LYS 12 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3i1o n LYS 13 N 3.35 -0.73 -3.10 1.64 4.76 -1.26 -4.86 118.16 117.96 3i1o n LYS 13 Ca 0.24 0.18 -0.19 0.00 -2.87 0.00 0.00 58.31 55.67 3i1o n LYS 13 Cb 0.09 -3.90 -0.04 0.00 -1.84 0.00 0.00 35.03 29.33 3i1o n LYS 13 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i1o n ARG 14 N -1.23 0.56 -1.20 1.97 1.74 0.22 -5.15 116.66 113.57 3i1o n ARG 14 Ca 0.00 -2.75 -0.31 0.00 -0.77 0.00 0.00 57.85 54.02 3i1o n ARG 14 Cb 0.18 -1.42 0.11 0.00 -1.02 0.00 0.00 32.46 30.31 3i1o n ARG 14 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i1o s PRO 15 N -0.19 1.84 -0.40 5.56 0.04 -1.22 -0.55 135.00 140.08 3i1o s PRO 15 Ca 0.33 1.09 0.03 0.00 0.04 0.00 0.00 61.00 62.49 3i1o s PRO 15 Cb 0.12 -1.86 0.18 0.00 0.04 0.00 0.00 34.50 32.99 3i1o s PRO 15 CO -0.15 -1.91 0.77 0.12 0.04 0.00 0.00 177.00 175.86 3i1o s PHE 16 N -2.89 -1.31 0.97 0.56 2.19 -1.19 -4.62 117.98 111.69 3i1o s PHE 16 Ca 0.62 0.09 -0.13 0.00 0.33 0.00 0.00 56.93 57.84 3i1o s PHE 16 Cb -0.18 0.24 0.17 0.00 -1.31 0.00 0.00 43.02 41.95 3i1o s PHE 16 CO 0.57 -0.91 1.13 0.71 1.83 0.00 0.00 175.22 178.54 3i1o s TYR 17 N 1.72 2.14 -0.32 10.12 1.51 -0.50 -2.16 117.35 129.86 3i1o s TYR 17 Ca 0.18 0.82 -0.01 0.00 -1.01 0.00 0.00 57.07 57.05 3i1o s TYR 17 Cb -0.01 -3.40 0.12 0.00 -0.11 0.00 0.00 41.96 38.57 3i1o s TYR 17 CO -0.09 -2.71 0.20 -0.65 -1.11 0.00 0.00 175.55 171.19 3i1o s GLN 18 N -5.23 0.39 -0.20 -0.62 -0.21 -0.95 -1.63 119.66 111.21 3i1o s GLN 18 Ca 0.65 -0.89 -0.39 0.00 0.02 0.00 0.00 55.36 54.76 3i1o s GLN 18 Cb -0.15 -1.15 -0.16 0.00 1.00 0.00 0.00 33.01 32.55 3i1o s GLN 18 CO 0.55 -1.12 1.68 1.55 -2.12 0.00 0.00 175.29 175.83 3i1o n VAL 19 N 4.63 0.26 -3.88 1.09 3.14 -1.07 -3.67 118.33 118.84 3i1o n VAL 19 Ca 0.04 -0.05 -0.11 0.00 -2.96 0.00 0.00 64.34 61.26 3i1o n VAL 19 Cb 0.40 -1.19 -0.10 0.00 -1.06 0.00 0.00 33.84 31.90 3i1o n VAL 19 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3i1o s VAL 20 N 3.00 0.10 -0.13 1.55 0.11 0.39 -2.22 120.40 123.19 3i1o s VAL 20 Ca 0.95 -0.79 -0.24 0.00 -2.93 0.00 0.00 61.98 58.98 3i1o s VAL 20 Cb -1.02 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 33.22 3i1o s VAL 20 CO 0.61 -0.43 0.75 -0.69 -3.33 0.00 0.00 175.10 172.00 3i1o s VAL 21 N -1.77 4.97 0.31 2.04 1.01 -1.20 -1.36 120.40 124.41 3i1o s VAL 21 Ca -0.12 1.49 -0.12 0.00 0.00 0.00 0.00 61.98 63.23 3i1o s VAL 21 Cb -0.06 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.27 3i1o s VAL 21 CO -0.00 0.14 0.59 0.00 0.00 0.00 0.00 175.10 175.83 3i1o s ALA 22 N 1.52 -0.24 -0.49 5.51 0.00 -0.70 0.14 121.76 127.50 3i1o s ALA 22 Ca 0.37 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 51.25 3i1o s ALA 22 Cb -0.17 0.96 0.10 0.00 0.00 0.00 0.00 23.12 24.01 3i1o s ALA 22 CO 0.15 -0.90 0.40 0.34 0.00 0.00 0.00 175.76 175.75 3i1o s ASP 23 N -3.08 6.02 0.06 0.00 -1.08 -1.26 0.96 116.67 118.29 3i1o s ASP 23 Ca 0.21 -1.60 0.02 0.00 -0.52 0.00 0.00 52.55 50.67 3i1o s ASP 23 Cb -0.03 -2.14 0.20 0.00 -1.46 0.00 0.00 42.92 39.50 3i1o s ASP 23 CO 0.12 -0.71 0.30 -1.54 0.52 0.00 0.00 175.17 173.87 3i1o n SER 24 N 5.13 0.02 -1.94 -0.34 3.41 0.05 -2.15 113.62 117.80 3i1o n SER 24 Ca -0.12 0.32 -0.01 0.00 -0.26 0.00 0.00 58.87 58.80 3i1o n SER 24 Cb 0.42 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 3i1o n SER 24 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i1o n ARG 25 N -3.74 0.48 -4.31 4.33 1.74 -1.26 -4.72 116.66 109.18 3i1o n ARG 25 Ca 0.06 -0.10 -0.16 0.00 -0.77 0.00 0.00 57.85 56.87 3i1o n ARG 25 Cb 0.19 -1.41 -0.10 0.00 -1.02 0.00 0.00 32.46 30.12 3i1o n ARG 25 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3i1o s ASN 26 N 2.16 1.17 0.72 0.55 0.02 -0.91 -5.13 114.94 113.52 3i1o s ASN 26 Ca 0.07 -1.39 -0.16 0.00 -1.02 0.00 0.00 52.86 50.36 3i1o s ASN 26 Cb 0.03 0.18 0.03 0.00 0.02 0.00 0.00 41.25 41.52 3i1o s ASN 26 CO 0.00 -0.74 1.23 0.00 0.02 0.00 0.00 177.10 177.61 3i1o s ALA 27 N -3.76 2.13 0.11 0.60 0.00 -1.26 -4.95 121.76 114.62 3i1o s ALA 27 Ca 0.38 0.98 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 3i1o s ALA 27 Cb 0.08 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.60 3i1o s ALA 27 CO 0.14 -1.90 1.61 -0.09 0.00 0.00 0.00 175.76 175.52 3i1o h ARG 28 N -0.18 -0.59 -1.74 0.00 2.43 -1.99 -2.97 114.38 109.35 3i1o h ARG 28 Ca -0.48 0.04 -0.70 0.00 -0.81 0.00 0.00 59.98 58.02 3i1o h ARG 28 Cb 1.31 0.13 -0.26 0.00 -0.42 0.00 0.00 29.97 30.73 3i1o h ARG 28 CO 0.50 -0.39 0.93 0.09 -1.51 0.00 0.00 179.97 179.59 3i1o n ASN 29 N -5.44 7.43 0.00 -3.80 4.13 -1.26 -4.55 115.26 111.78 3i1o n ASN 29 Ca -0.07 -3.73 0.00 0.00 1.68 0.00 0.00 54.58 52.45 3i1o n ASN 29 Cb 0.35 -1.06 0.00 0.00 -1.54 0.00 0.00 39.78 37.52 3i1o n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i1o n GLY 30 N -0.45 5.21 3.50 7.41 0.00 -1.12 -5.02 105.19 114.72 3i1o n GLY 30 Ca 0.55 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 3i1o n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1o n ARG 31 N 0.00 0.02 -4.02 1.61 0.63 -1.26 -4.90 116.66 108.73 3i1o n ARG 31 Ca 0.00 -0.01 -0.21 0.00 -0.92 0.00 0.00 57.85 56.71 3i1o n ARG 31 Cb 0.00 -1.27 -0.03 0.00 0.45 0.00 0.00 32.46 31.62 3i1o n ARG 31 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3i1o s PHE 32 N 4.13 3.33 -0.18 -0.14 -0.12 -1.26 -4.42 117.98 119.32 3i1o s PHE 32 Ca 1.33 -0.05 -0.18 0.00 -0.05 0.00 0.00 56.93 57.98 3i1o s PHE 32 Cb -1.01 -1.51 -0.22 0.00 -0.63 0.00 0.00 43.02 39.65 3i1o s PHE 32 CO 0.53 0.47 0.29 0.82 -0.05 0.00 0.00 175.22 177.28 3i1o h ILE 33 N 1.29 0.87 -1.09 -4.49 2.04 0.91 -3.48 117.51 113.56 3i1o h ILE 33 Ca -0.51 -2.24 0.13 0.00 1.00 0.00 0.00 64.86 63.24 3i1o h ILE 33 Cb 1.23 2.35 -0.21 0.00 -0.74 0.00 0.00 36.82 39.45 3i1o h ILE 33 CO 0.61 0.49 -0.08 -1.83 0.00 0.00 0.00 178.15 177.34 3i1o s GLU 34 N -2.42 0.45 -0.28 2.37 -1.05 -1.15 -5.00 118.70 111.62 3i1o s GLU 34 Ca -0.26 0.93 -0.43 0.00 -0.15 0.00 0.00 54.97 55.06 3i1o s GLU 34 Cb 0.06 0.54 -0.20 0.00 -0.44 0.00 0.00 34.13 34.09 3i1o s GLU 34 CO 0.65 -0.37 1.35 -2.13 0.95 0.00 0.00 175.26 175.71 3i1o n ARG 35 N 5.37 0.00 -1.69 -4.83 0.00 -1.26 -3.24 116.66 111.01 3i1o n ARG 35 Ca -0.06 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.83 3i1o n ARG 35 Cb 0.51 -1.47 0.02 0.00 0.00 0.00 0.00 32.46 31.52 3i1o n ARG 35 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 3i1o n VAL 36 N 2.88 0.18 0.00 5.15 3.14 -0.94 -4.94 118.33 123.80 3i1o n VAL 36 Ca 0.26 -1.28 0.00 0.00 -2.96 0.00 0.00 64.34 60.36 3i1o n VAL 36 Cb -0.00 1.04 0.00 0.00 -1.06 0.00 0.00 33.84 33.82 3i1o n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i1o n GLY 37 N 0.34 3.35 3.04 7.55 0.00 -1.06 -4.53 105.19 113.88 3i1o n GLY 37 Ca 0.06 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 3i1o n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i1o s PHE 38 N -2.00 0.04 -0.06 1.61 -0.12 -0.74 -2.59 117.98 114.12 3i1o s PHE 38 Ca 0.00 -0.08 0.02 0.00 -0.05 0.00 0.00 56.93 56.83 3i1o s PHE 38 Cb 0.00 -0.05 0.01 0.00 -0.63 0.00 0.00 43.02 42.35 3i1o s PHE 38 CO 0.00 -0.19 -0.12 0.12 -0.05 0.00 0.00 175.22 174.98 3i1o s PHE 39 N -0.92 1.41 -0.15 3.49 5.36 -0.65 -2.75 117.98 123.77 3i1o s PHE 39 Ca -0.10 -0.49 -0.03 0.00 -0.96 0.00 0.00 56.93 55.35 3i1o s PHE 39 Cb -0.06 -1.03 0.05 0.00 -0.34 0.00 0.00 43.02 41.64 3i1o s PHE 39 CO 0.01 -0.24 0.03 1.21 -1.46 0.00 0.00 175.22 174.76 3i1o s ASN 40 N 0.56 2.39 -0.09 6.13 2.47 -1.17 -1.41 114.94 123.82 3i1o s ASN 40 Ca -0.12 -0.55 -0.03 0.00 0.42 0.00 0.00 52.86 52.58 3i1o s ASN 40 Cb -0.15 -0.49 -0.06 0.00 -1.45 0.00 0.00 41.25 39.11 3i1o s ASN 40 CO 0.03 -0.28 2.65 -2.65 -3.72 0.00 0.00 177.10 173.14 3i1o n PRO 41 N 5.12 1.61 0.00 0.43 -0.02 -1.26 -4.41 135.00 136.47 3i1o n PRO 41 Ca -0.08 -0.83 0.00 0.00 -2.02 0.00 0.00 63.50 60.58 3i1o n PRO 41 Cb 0.48 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 3i1o n PRO 41 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i1o n ILE 42 N 1.62 0.00 -0.76 4.25 2.08 -1.26 -5.10 119.36 120.18 3i1o n ILE 42 Ca 0.25 0.00 0.09 0.00 0.56 0.00 0.00 62.75 63.65 3i1o n ILE 42 Cb 0.66 -0.03 -0.03 0.00 -0.75 0.00 0.00 39.64 39.50 3i1o n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i1o n ALA 43 N -2.69 -2.85 -1.64 -1.39 0.00 -1.26 -4.74 120.51 105.94 3i1o n ALA 43 Ca 0.00 0.25 0.06 0.00 0.00 0.00 0.00 53.44 53.75 3i1o n ALA 43 Cb 0.00 -0.90 0.11 0.00 0.00 0.00 0.00 19.45 18.65 3i1o n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i1o n SER 44 N -4.34 1.44 -0.12 0.00 7.64 -1.26 -4.97 113.62 112.00 3i1o n SER 44 Ca -0.00 -2.87 -0.02 0.00 1.01 0.00 0.00 58.87 56.99 3i1o n SER 44 Cb 0.58 -0.38 -0.01 0.00 -1.01 0.00 0.00 64.21 63.39 3i1o n SER 44 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1o n GLU 45 N -0.73 -1.52 0.00 1.43 1.02 -1.26 -4.92 120.64 114.66 3i1o n GLU 45 Ca 0.12 0.46 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 3i1o n GLU 45 Cb 0.75 -4.63 0.00 0.00 -0.02 0.00 0.00 31.44 27.54 3i1o n GLU 45 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3i1o n LYS 46 N -0.14 0.00 0.00 3.49 -0.00 -1.26 -5.02 118.16 115.23 3i1o n LYS 46 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 3i1o n LYS 46 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.43 3i1o n LYS 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3i1o n GLU 47 N 0.00 0.00 -4.28 -1.58 -0.58 -1.26 -5.01 120.64 107.92 3i1o n GLU 47 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 3i1o n GLU 47 Cb 0.00 -0.33 -0.05 0.00 -0.57 0.00 0.00 31.44 30.49 3i1o n GLU 47 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3i1o s GLU 48 N -0.09 2.22 0.00 3.49 2.12 -1.26 -5.02 118.70 120.16 3i1o s GLU 48 Ca 0.00 -2.15 0.00 0.00 0.36 0.00 0.00 54.97 53.18 3i1o s GLU 48 Cb 0.00 -1.85 0.00 0.00 0.26 0.00 0.00 34.13 32.54 3i1o s GLU 48 CO 0.00 -0.43 0.00 0.41 -0.54 0.00 0.00 175.26 174.70 3i1o n GLY 49 N -1.47 0.15 3.15 -1.50 0.00 -1.26 -4.71 105.19 99.55 3i1o n GLY 49 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.99 3i1o n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1o s THR 50 N 0.00 -0.25 0.02 2.61 2.01 -1.26 -3.05 115.64 115.72 3i1o s THR 50 Ca 0.00 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.08 3i1o s THR 50 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 3i1o s THR 50 CO 0.00 0.00 -0.23 -0.60 -0.69 0.00 0.00 174.62 173.10 3i1o s ARG 51 N 2.96 1.72 -0.17 4.92 6.06 -1.11 -5.02 118.95 128.31 3i1o s ARG 51 Ca -0.04 -0.95 -0.05 0.00 -2.50 0.00 0.00 55.73 52.20 3i1o s ARG 51 Cb -0.10 -1.78 -0.08 0.00 0.06 0.00 0.00 34.95 33.05 3i1o s ARG 51 CO -0.10 0.47 -0.19 -0.11 -2.50 0.00 0.00 175.30 172.87 3i1o n LEU 52 N 2.10 1.84 -1.66 -0.88 7.94 -1.26 -1.79 117.00 123.29 3i1o n LEU 52 Ca -0.16 0.10 -0.00 0.00 -1.11 0.00 0.00 56.01 54.84 3i1o n LEU 52 Cb 0.52 -0.52 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3i1o n LEU 52 CO 0.23 0.50 0.03 0.47 -1.11 0.00 0.00 177.39 177.51 3i1o n ASP 53 N -3.48 -2.60 0.00 1.96 8.00 -1.26 -3.90 116.55 115.26 3i1o n ASP 53 Ca -0.32 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.19 3i1o n ASP 53 Cb 0.76 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 3i1o n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i1o n LEU 54 N -0.96 0.00 0.28 0.64 -0.00 -1.26 -2.72 117.00 112.97 3i1o n LEU 54 Ca 0.00 0.72 0.19 0.00 -0.00 0.00 0.00 56.01 56.92 3i1o n LEU 54 Cb 0.41 -0.22 0.92 0.00 -0.00 0.00 0.00 43.42 44.53 3i1o n LEU 54 CO 0.05 -0.22 1.05 -2.24 -0.00 0.00 0.00 177.39 176.04 3i1o h ASP 55 N 0.00 0.00 -0.12 1.45 3.04 -1.98 0.38 116.42 119.19 3i1o h ASP 55 Ca 0.00 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.61 3i1o h ASP 55 Cb 0.00 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.30 3i1o h ASP 55 CO 0.00 0.00 -0.61 0.03 -2.04 0.00 0.00 179.24 176.62 3i1o h ARG 56 N 0.00 0.63 -0.29 4.15 2.47 -1.93 -0.30 114.38 119.11 3i1o h ARG 56 Ca 0.00 -0.51 0.06 0.00 -1.26 0.00 0.00 59.98 58.26 3i1o h ARG 56 Cb 0.16 0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 28.54 3i1o h ARG 56 CO 0.00 1.13 -0.04 0.82 0.56 0.00 0.00 179.97 182.44 3i1o h ILE 57 N 0.28 0.74 0.00 2.04 1.08 -0.72 -1.51 117.51 119.42 3i1o h ILE 57 Ca -0.04 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.42 3i1o h ILE 57 Cb 1.25 0.71 -0.00 0.00 -3.07 0.00 0.00 36.82 35.71 3i1o h ILE 57 CO 0.13 0.01 -0.00 0.00 -0.69 0.00 0.00 178.15 177.59 3i1o h ALA 58 N 1.27 1.00 -0.78 1.87 0.00 -1.51 -2.91 119.26 118.20 3i1o h ALA 58 Ca 0.14 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3i1o h ALA 58 Cb 0.20 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3i1o h ALA 58 CO -0.27 0.00 0.29 1.25 0.00 0.00 0.00 179.25 180.52 3i1o h HIS 59 N 0.00 1.21 0.01 0.00 -0.00 0.03 0.51 115.15 116.92 3i1o h HIS 59 Ca -0.00 -0.10 -0.09 0.00 -0.00 0.00 0.00 60.37 60.18 3i1o h HIS 59 Cb 0.58 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 3i1o h HIS 59 CO 0.00 0.92 -0.48 -1.49 -0.00 0.00 0.00 177.93 176.88 3i1o h TRP 60 N 1.15 0.06 -0.80 5.26 4.06 -1.45 -3.19 115.95 121.04 3i1o h TRP 60 Ca 0.26 -0.04 0.19 0.00 2.06 0.00 0.00 58.89 61.36 3i1o h TRP 60 Cb 0.24 -0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.27 3i1o h TRP 60 CO 0.02 1.19 0.14 0.28 -3.56 0.00 0.00 178.44 176.51 3i1o h VAL 61 N -0.93 0.37 0.00 1.49 2.07 -1.56 0.58 116.25 118.27 3i1o h VAL 61 Ca -0.12 -0.06 -0.17 0.00 0.82 0.00 0.00 66.70 67.16 3i1o h VAL 61 Cb 1.17 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3i1o h VAL 61 CO -0.05 0.03 0.28 0.61 0.02 0.00 0.00 177.57 178.47 3i1o n GLY 62 N -1.39 2.50 0.00 2.17 0.00 0.18 -2.02 105.19 106.63 3i1o n GLY 62 Ca 0.17 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3i1o n GLY 62 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1o n GLN 63 N 2.83 0.00 -1.96 1.61 7.27 0.20 -4.84 117.38 122.49 3i1o n GLN 63 Ca 0.32 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.37 3i1o n GLN 63 Cb 0.57 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.20 3i1o n GLN 63 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i1o n GLY 64 N 0.00 -4.04 3.38 1.69 0.00 -0.85 -4.99 105.19 100.38 3i1o n GLY 64 Ca 0.00 0.54 0.02 0.00 0.00 0.00 0.00 46.02 46.59 3i1o n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1o s ALA 65 N -0.30 -2.91 0.88 4.61 0.00 -1.26 -4.80 121.76 117.98 3i1o s ALA 65 Ca -0.12 1.94 -0.12 0.00 0.00 0.00 0.00 51.96 53.66 3i1o s ALA 65 Cb 0.01 -2.11 0.10 0.00 0.00 0.00 0.00 23.12 21.12 3i1o s ALA 65 CO 0.33 -0.77 1.02 2.41 0.00 0.00 0.00 175.76 178.76 3i1o n THR 66 N 4.26 0.81 -3.71 0.00 -1.04 -1.18 -4.57 114.28 108.85 3i1o n THR 66 Ca -0.11 -0.12 -0.25 0.00 -2.04 0.00 0.00 64.05 61.53 3i1o n THR 66 Cb 0.55 -1.00 -0.17 0.00 -1.82 0.00 0.00 70.33 67.89 3i1o n THR 66 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3i1o s ILE 67 N -2.38 0.31 0.48 12.58 2.07 -1.26 -1.32 121.20 131.67 3i1o s ILE 67 Ca 0.68 -0.22 -0.22 0.00 -1.41 0.00 0.00 60.65 59.47 3i1o s ILE 67 Cb -0.25 -0.74 -0.09 0.00 0.13 0.00 0.00 42.46 41.50 3i1o s ILE 67 CO 0.57 -0.07 0.89 -0.24 -1.91 0.00 0.00 174.94 174.18 3i1o n SER 68 N 5.14 0.65 0.05 4.50 2.88 0.60 -4.63 113.62 122.80 3i1o n SER 68 Ca -0.08 0.94 -0.04 0.00 -1.33 0.00 0.00 58.87 58.36 3i1o n SER 68 Cb 0.48 -1.31 -0.02 0.00 -0.75 0.00 0.00 64.21 62.61 3i1o n SER 68 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 3i1o h ASP 69 N 1.08 -0.30 -0.90 -3.46 -0.00 -1.97 0.38 116.42 111.25 3i1o h ASP 69 Ca -0.45 0.03 0.13 0.00 -0.00 0.00 0.00 57.03 56.74 3i1o h ASP 69 Cb 1.36 0.10 -0.14 0.00 -0.00 0.00 0.00 39.33 40.65 3i1o h ASP 69 CO 0.54 -0.13 -0.38 -1.14 -0.00 0.00 0.00 179.24 178.13 3i1o n ARG 70 N -2.96 -0.24 -0.11 4.15 3.00 -1.26 0.25 116.66 119.48 3i1o n ARG 70 Ca -0.02 1.38 -0.11 0.00 -0.00 0.00 0.00 57.85 59.10 3i1o n ARG 70 Cb 0.09 -2.04 -0.03 0.00 0.00 0.00 0.00 32.46 30.48 3i1o n ARG 70 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 3i1o h VAL 71 N 0.00 1.25 -0.53 5.15 3.04 -1.90 0.47 116.25 123.74 3i1o h VAL 71 Ca 0.28 -0.92 0.04 0.00 -1.01 0.00 0.00 66.70 65.09 3i1o h VAL 71 Cb 0.51 1.24 -0.04 0.00 -2.01 0.00 0.00 31.29 30.99 3i1o h VAL 71 CO -0.88 0.30 0.29 0.00 -1.01 0.00 0.00 177.57 176.27 3i1o h ALA 72 N 0.85 0.68 0.00 3.17 0.00 0.22 0.14 119.26 124.32 3i1o h ALA 72 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i1o h ALA 72 Cb 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3i1o h ALA 72 CO 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3i1o n ALA 73 N -2.30 1.90 0.09 0.00 0.00 0.68 -0.97 120.51 119.91 3i1o n ALA 73 Ca 0.04 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 3i1o n ALA 73 Cb 0.11 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.11 3i1o n ALA 73 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i1o h LEU 74 N 0.00 0.69 -0.24 0.00 3.38 0.26 -3.15 115.31 116.25 3i1o h LEU 74 Ca 0.00 -0.91 0.02 0.00 0.09 0.00 0.00 57.88 57.09 3i1o h LEU 74 Cb 0.29 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3i1o h LEU 74 CO 0.00 1.54 0.08 0.40 0.09 0.00 0.00 178.44 180.55 3i1o h ILE 75 N -0.05 0.94 0.00 1.22 2.04 -0.30 -0.14 117.51 121.22 3i1o h ILE 75 Ca -0.19 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3i1o h ILE 75 Cb 1.87 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3i1o h ILE 75 CO 0.21 0.03 0.46 0.11 0.00 0.00 0.00 178.15 178.97 3i1o h LYS 76 N 0.19 0.00 -0.00 2.37 1.79 -1.08 0.64 116.57 120.47 3i1o h LYS 76 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3i1o h LYS 76 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 3i1o h LYS 76 CO -0.10 0.00 -0.10 0.39 -1.08 0.00 0.00 179.45 178.55 3i1o n GLU 77 N -2.15 4.66 -0.19 3.15 1.02 -0.66 -4.62 120.64 121.85 3i1o n GLU 77 Ca -0.01 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 3i1o n GLU 77 Cb 0.48 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 31.18 3i1o n GLU 77 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i1o n VAL 78 N -0.80 0.91 0.00 2.62 0.31 0.22 -4.63 118.33 116.97 3i1o n VAL 78 Ca 0.01 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3i1o n VAL 78 Cb 0.05 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 3i1o n VAL 78 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3i1o n ASN 79 N 1.44 0.00 0.00 4.52 5.15 -1.26 -5.04 115.26 120.07 3i1o n ASN 79 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3i1o n ASN 79 Cb 0.27 -0.28 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 3i1o n ASN 79 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95