#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1z s VAL 2 N 0.00 5.45 0.13 1.12 -7.23 -1.26 0.26 120.40 118.87 3i1z s VAL 2 Ca 0.00 0.20 0.09 0.00 -1.81 0.00 0.00 61.98 60.46 3i1z s VAL 2 Cb 0.00 -3.44 -0.04 0.00 0.56 0.00 0.00 36.38 33.46 3i1z s VAL 2 CO 0.00 0.51 -0.22 -0.89 -0.31 0.00 0.00 175.10 174.20 3i1z s THR 3 N -0.22 1.92 -0.60 5.32 2.01 -0.94 -1.52 115.64 121.61 3i1z s THR 3 Ca 0.11 -1.73 -0.10 0.00 0.31 0.00 0.00 61.69 60.29 3i1z s THR 3 Cb -0.11 -1.77 0.16 0.00 0.01 0.00 0.00 72.50 70.78 3i1z s THR 3 CO 0.01 -0.10 0.49 -0.63 -0.69 0.00 0.00 174.62 173.70 3i1z s ILE 4 N -1.40 4.55 0.03 1.82 1.01 -1.25 -2.07 121.20 123.89 3i1z s ILE 4 Ca 0.12 -2.20 0.00 0.00 0.00 0.00 0.00 60.65 58.57 3i1z s ILE 4 Cb -0.09 -3.93 -0.00 0.00 0.01 0.00 0.00 42.46 38.46 3i1z s ILE 4 CO 0.06 -0.87 0.00 -2.11 0.00 0.00 0.00 174.94 172.02 3i1z n ARG 5 N 4.38 1.50 -4.10 2.79 1.85 -0.59 -2.84 116.66 119.65 3i1z n ARG 5 Ca 0.01 -0.26 -0.29 0.00 -1.00 0.00 0.00 57.85 56.31 3i1z n ARG 5 Cb 0.42 0.10 -0.07 0.00 -1.05 0.00 0.00 32.46 31.85 3i1z n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3i1z s LEU 6 N 0.00 3.62 -0.33 2.89 1.02 -1.26 -0.25 118.68 124.37 3i1z s LEU 6 Ca 0.01 -0.13 0.01 0.00 0.02 0.00 0.00 54.13 54.04 3i1z s LEU 6 Cb 0.00 -2.31 0.10 0.00 0.02 0.00 0.00 46.19 44.00 3i1z s LEU 6 CO 0.00 0.15 0.09 0.00 0.02 0.00 0.00 176.35 176.62 3i1z s ALA 7 N -1.44 2.08 -0.02 4.21 0.00 -1.23 -4.86 121.76 120.51 3i1z s ALA 7 Ca 0.28 -2.06 -0.30 0.00 0.00 0.00 0.00 51.96 49.88 3i1z s ALA 7 Cb -0.11 -1.77 -0.08 0.00 0.00 0.00 0.00 23.12 21.16 3i1z s ALA 7 CO 0.20 -1.71 1.97 0.50 0.00 0.00 0.00 175.76 176.73 3i1z s ARG 8 N 1.25 3.97 0.00 0.00 3.52 -1.26 -3.33 118.95 123.10 3i1z s ARG 8 Ca 0.11 2.45 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 3i1z s ARG 8 Cb -0.18 -4.18 0.00 0.00 -1.56 0.00 0.00 34.95 29.03 3i1z s ARG 8 CO -0.17 -1.14 0.59 0.72 -0.81 0.00 0.00 175.30 174.48 3i1z n HIS 9 N 8.21 0.00 0.00 5.12 8.25 0.90 -4.98 115.22 132.72 3i1z n HIS 9 Ca 0.21 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3i1z n HIS 9 Cb 0.42 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.51 3i1z n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i1z n GLY 10 N -0.16 -2.10 2.97 -1.41 0.00 -0.65 -4.75 105.19 99.09 3i1z n GLY 10 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3i1z n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1z n ALA 11 N -3.00 -2.85 -1.89 4.61 0.00 -0.63 -4.79 120.51 111.95 3i1z n ALA 11 Ca 0.00 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 3i1z n ALA 11 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 3i1z n ALA 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3i1z s LYS 12 N -2.00 4.19 0.00 0.00 2.20 -1.26 -2.75 119.74 120.12 3i1z s LYS 12 Ca 0.24 2.39 0.00 0.00 -0.36 0.00 0.00 55.97 58.24 3i1z s LYS 12 Cb -0.00 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 3i1z s LYS 12 CO -0.02 -0.70 0.00 1.63 -0.36 0.00 0.00 175.35 175.90 3i1z n LYS 13 N 4.89 0.00 -3.34 4.03 4.76 -1.26 -4.77 118.16 122.47 3i1z n LYS 13 Ca 0.15 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.32 3i1z n LYS 13 Cb 0.39 -2.34 -0.07 0.00 -1.84 0.00 0.00 35.03 31.17 3i1z n LYS 13 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i1z n ARG 14 N -1.48 2.70 -0.76 1.97 1.74 -1.11 -5.09 116.66 114.63 3i1z n ARG 14 Ca 0.00 -4.70 -0.30 0.00 -0.77 0.00 0.00 57.85 52.08 3i1z n ARG 14 Cb 0.00 -2.27 0.19 0.00 -1.02 0.00 0.00 32.46 29.37 3i1z n ARG 14 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i1z s PRO 15 N -2.63 0.31 -0.30 5.56 0.04 -1.23 -1.60 135.00 135.15 3i1z s PRO 15 Ca 0.41 1.11 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 3i1z s PRO 15 Cb 0.16 -1.68 0.16 0.00 0.04 0.00 0.00 34.50 33.18 3i1z s PRO 15 CO -0.02 -2.97 0.84 0.12 0.04 0.00 0.00 177.00 175.00 3i1z s PHE 16 N -2.64 -0.99 0.05 0.56 2.19 -1.26 -4.66 117.98 111.22 3i1z s PHE 16 Ca 0.67 1.60 0.00 0.00 0.33 0.00 0.00 56.93 59.53 3i1z s PHE 16 Cb -0.22 0.55 0.01 0.00 -1.31 0.00 0.00 43.02 42.05 3i1z s PHE 16 CO 0.60 -0.50 0.07 0.66 1.83 0.00 0.00 175.22 177.88 3i1z n TYR 17 N 5.22 -3.15 -2.79 10.12 4.02 -0.96 -0.07 117.16 129.56 3i1z n TYR 17 Ca -0.09 -0.14 -0.03 0.00 -0.01 0.00 0.00 57.90 57.62 3i1z n TYR 17 Cb 0.51 -0.05 0.01 0.00 -0.02 0.00 0.00 39.34 39.80 3i1z n TYR 17 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 3i1z s GLN 18 N -2.39 0.84 -0.14 -0.72 2.00 -1.21 -4.14 119.66 113.91 3i1z s GLN 18 Ca 0.05 -0.77 -0.38 0.00 -2.00 0.00 0.00 55.36 52.26 3i1z s GLN 18 Cb -0.00 -0.02 -0.15 0.00 0.80 0.00 0.00 33.01 33.64 3i1z s GLN 18 CO 0.03 -1.06 1.71 1.55 -0.50 0.00 0.00 175.29 177.02 3i1z n VAL 19 N 3.05 0.31 -3.69 1.34 3.14 -1.09 -3.49 118.33 117.89 3i1z n VAL 19 Ca 0.16 -0.06 -0.14 0.00 -2.96 0.00 0.00 64.34 61.34 3i1z n VAL 19 Cb 0.58 -1.36 -0.08 0.00 -1.06 0.00 0.00 33.84 31.92 3i1z n VAL 19 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3i1z s VAL 20 N 3.01 0.03 -0.16 1.55 0.11 0.65 -1.97 120.40 123.62 3i1z s VAL 20 Ca 0.93 -0.23 -0.21 0.00 -2.93 0.00 0.00 61.98 59.54 3i1z s VAL 20 Cb -0.92 -0.72 -0.03 0.00 -1.53 0.00 0.00 36.38 33.18 3i1z s VAL 20 CO 0.57 -0.13 0.63 -0.69 -3.33 0.00 0.00 175.10 172.15 3i1z s VAL 21 N -0.87 5.04 0.14 2.04 1.01 0.21 -1.55 120.40 126.42 3i1z s VAL 21 Ca -0.09 1.23 -0.19 0.00 0.00 0.00 0.00 61.98 62.93 3i1z s VAL 21 Cb -0.03 -3.95 0.05 0.00 0.00 0.00 0.00 36.38 32.44 3i1z s VAL 21 CO 0.05 0.17 0.48 0.00 0.00 0.00 0.00 175.10 175.80 3i1z s ALA 22 N 1.50 -1.17 -0.03 5.51 0.00 -0.88 0.23 121.76 126.93 3i1z s ALA 22 Ca 0.31 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 3i1z s ALA 22 Cb -0.16 0.78 -0.06 0.00 0.00 0.00 0.00 23.12 23.67 3i1z s ALA 22 CO 0.12 -0.70 1.75 0.34 0.00 0.00 0.00 175.76 177.27 3i1z s ASP 23 N -2.79 6.59 0.32 0.00 -1.08 -1.26 -2.22 116.67 116.23 3i1z s ASP 23 Ca 0.03 2.36 0.06 0.00 -0.52 0.00 0.00 52.55 54.48 3i1z s ASP 23 Cb 0.01 -2.53 0.88 0.00 -1.46 0.00 0.00 42.92 39.82 3i1z s ASP 23 CO -0.11 -0.97 1.53 -1.54 0.52 0.00 0.00 175.17 174.59 3i1z n SER 24 N 7.30 -0.00 0.20 -0.34 3.41 0.14 -0.31 113.62 124.01 3i1z n SER 24 Ca 0.18 1.65 0.07 0.00 -0.26 0.00 0.00 58.87 60.51 3i1z n SER 24 Cb 0.42 -0.65 0.36 0.00 -0.26 0.00 0.00 64.21 64.09 3i1z n SER 24 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3i1z h ARG 25 N 0.00 0.00 -6.99 4.33 3.08 -1.90 -3.44 114.38 109.46 3i1z h ARG 25 Ca 0.65 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 60.30 3i1z h ARG 25 Cb 1.46 0.00 0.22 0.00 0.08 0.00 0.00 29.97 31.72 3i1z h ARG 25 CO -0.88 0.32 -0.15 0.09 -1.07 0.00 0.00 179.97 178.28 3i1z n ASN 26 N -3.45 -2.82 -4.89 7.04 5.03 0.58 -4.99 115.26 111.76 3i1z n ASN 26 Ca 0.00 -0.46 -0.30 0.00 0.87 0.00 0.00 54.58 54.69 3i1z n ASN 26 Cb 0.49 -1.13 0.04 0.00 -1.02 0.00 0.00 39.78 38.16 3i1z n ASN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i1z s ALA 27 N -2.27 2.98 0.08 5.41 0.00 -1.26 -4.99 121.76 121.71 3i1z s ALA 27 Ca 0.67 -0.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 3i1z s ALA 27 Cb -0.20 -2.97 -0.17 0.00 0.00 0.00 0.00 23.12 19.79 3i1z s ALA 27 CO 0.62 -1.03 1.66 -0.09 0.00 0.00 0.00 175.76 176.92 3i1z h ARG 28 N -0.54 -0.61 -1.36 0.00 2.43 -1.94 -3.01 114.38 109.37 3i1z h ARG 28 Ca -0.45 0.04 -0.66 0.00 -0.81 0.00 0.00 59.98 58.11 3i1z h ARG 28 Cb 1.24 0.14 -0.26 0.00 -0.42 0.00 0.00 29.97 30.67 3i1z h ARG 28 CO 0.63 -0.40 0.85 0.09 -1.51 0.00 0.00 179.97 179.63 3i1z n ASN 29 N -5.37 7.48 -0.00 -3.80 3.02 -1.26 -4.73 115.26 110.59 3i1z n ASN 29 Ca -0.11 -3.70 0.00 0.00 -0.03 0.00 0.00 54.58 50.74 3i1z n ASN 29 Cb 0.28 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 3i1z n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i1z n GLY 30 N -0.60 7.77 3.51 7.41 0.00 -1.14 -5.09 105.19 117.05 3i1z n GLY 30 Ca 0.57 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 3i1z n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1z n ARG 31 N 0.00 0.81 -3.82 1.61 0.63 -1.26 -4.93 116.66 109.71 3i1z n ARG 31 Ca 0.00 0.29 -0.12 0.00 -0.92 0.00 0.00 57.85 57.10 3i1z n ARG 31 Cb 0.00 -1.66 -0.10 0.00 0.45 0.00 0.00 32.46 31.16 3i1z n ARG 31 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3i1z s PHE 32 N -1.36 -0.08 0.04 -0.14 -0.12 -1.26 -4.59 117.98 110.47 3i1z s PHE 32 Ca 0.63 0.11 -0.21 0.00 -0.05 0.00 0.00 56.93 57.41 3i1z s PHE 32 Cb -0.62 0.03 -0.14 0.00 -0.63 0.00 0.00 43.02 41.66 3i1z s PHE 32 CO 0.58 -0.31 1.40 0.82 -0.05 0.00 0.00 175.22 177.66 3i1z h ILE 33 N 4.15 1.31 -1.54 -4.49 2.04 0.26 -3.47 117.51 115.77 3i1z h ILE 33 Ca -0.30 -1.07 0.10 0.00 1.00 0.00 0.00 64.86 64.60 3i1z h ILE 33 Cb 1.19 1.73 -0.23 0.00 -0.74 0.00 0.00 36.82 38.77 3i1z h ILE 33 CO 0.40 0.31 0.59 -1.83 0.00 0.00 0.00 178.15 177.62 3i1z s GLU 34 N -4.61 0.54 0.73 2.37 -1.05 -0.81 -4.99 118.70 110.88 3i1z s GLU 34 Ca -0.14 0.11 -0.11 0.00 -0.15 0.00 0.00 54.97 54.67 3i1z s GLU 34 Cb 0.05 0.26 0.03 0.00 -0.44 0.00 0.00 34.13 34.02 3i1z s GLU 34 CO 0.73 -0.17 1.08 0.50 0.95 0.00 0.00 175.26 178.34 3i1z s ARG 35 N -1.22 2.65 0.00 -4.83 3.52 -1.26 0.63 118.95 118.44 3i1z s ARG 35 Ca -0.00 0.76 0.01 0.00 -0.13 0.00 0.00 55.73 56.37 3i1z s ARG 35 Cb -0.01 -1.97 0.01 0.00 -1.56 0.00 0.00 34.95 31.42 3i1z s ARG 35 CO 0.00 -1.25 0.83 1.55 -0.81 0.00 0.00 175.30 175.62 3i1z n VAL 36 N -3.20 0.00 0.00 7.11 3.14 -0.83 -4.81 118.33 119.74 3i1z n VAL 36 Ca 0.07 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 3i1z n VAL 36 Cb 0.55 0.34 0.00 0.00 -1.06 0.00 0.00 33.84 33.67 3i1z n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i1z n GLY 37 N 0.01 0.98 3.47 7.55 0.00 -1.19 -1.46 105.19 114.54 3i1z n GLY 37 Ca -0.17 -1.92 -0.11 0.00 0.00 0.00 0.00 46.02 43.82 3i1z n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i1z s PHE 38 N -1.98 0.73 -0.18 1.61 -0.12 -1.24 -2.68 117.98 114.12 3i1z s PHE 38 Ca 0.00 -1.03 -0.08 0.00 -0.05 0.00 0.00 56.93 55.78 3i1z s PHE 38 Cb 0.00 -0.07 0.07 0.00 -0.63 0.00 0.00 43.02 42.40 3i1z s PHE 38 CO 0.00 -0.94 0.39 0.12 -0.05 0.00 0.00 175.22 174.75 3i1z s PHE 39 N -3.83 -0.67 -0.35 3.49 5.36 -1.26 -3.58 117.98 117.14 3i1z s PHE 39 Ca 0.29 1.35 -0.01 0.00 -0.96 0.00 0.00 56.93 57.60 3i1z s PHE 39 Cb 0.01 0.25 0.08 0.00 -0.34 0.00 0.00 43.02 43.02 3i1z s PHE 39 CO 0.12 -0.40 0.09 1.21 -1.46 0.00 0.00 175.22 174.78 3i1z s ASN 40 N 2.06 5.00 0.00 6.13 3.84 -1.23 -2.26 114.94 128.47 3i1z s ASN 40 Ca -0.05 -1.75 0.00 0.00 0.21 0.00 0.00 52.86 51.27 3i1z s ASN 40 Cb -0.10 -1.74 0.00 0.00 -0.55 0.00 0.00 41.25 38.86 3i1z s ASN 40 CO -0.12 -0.40 0.75 -0.81 -2.79 0.00 0.00 177.10 173.73 3i1z n PRO 41 N 4.53 0.00 0.00 0.43 -0.04 -1.26 -4.16 135.00 134.50 3i1z n PRO 41 Ca -0.05 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 3i1z n PRO 41 Cb 0.42 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 3i1z n PRO 41 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3i1z n ILE 42 N -1.25 0.00 0.00 0.52 2.08 -1.26 -4.91 119.36 114.54 3i1z n ILE 42 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3i1z n ILE 42 Cb 0.06 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.95 3i1z n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i1z n ALA 43 N -3.00 0.00 -0.55 -1.39 0.00 -1.26 -4.77 120.51 109.53 3i1z n ALA 43 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3i1z n ALA 43 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3i1z n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i1z n SER 44 N 0.59 -3.22 -4.57 0.00 3.41 -1.26 -4.65 113.62 103.92 3i1z n SER 44 Ca 0.00 0.46 -0.40 0.00 -0.26 0.00 0.00 58.87 58.67 3i1z n SER 44 Cb 0.00 -1.84 -0.03 0.00 -0.26 0.00 0.00 64.21 62.08 3i1z n SER 44 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3i1z s GLU 45 N -2.85 2.78 0.00 4.33 2.12 -1.26 -4.80 118.70 119.03 3i1z s GLU 45 Ca 0.00 1.16 0.00 0.00 0.36 0.00 0.00 54.97 56.49 3i1z s GLU 45 Cb 0.00 -4.37 0.00 0.00 0.26 0.00 0.00 34.13 30.02 3i1z s GLU 45 CO 0.00 -2.52 0.00 0.36 -0.54 0.00 0.00 175.26 172.56 3i1z n LYS 46 N 8.87 0.00 0.26 4.30 -0.00 -1.26 -5.10 118.16 125.24 3i1z n LYS 46 Ca 0.25 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.46 3i1z n LYS 46 Cb 0.50 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.48 3i1z n LYS 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3i1z h GLU 47 N 0.00 -0.68 -6.21 -1.58 5.08 -1.93 -3.45 114.58 105.82 3i1z h GLU 47 Ca 0.00 0.05 -0.52 0.00 -1.00 0.00 0.00 59.36 57.88 3i1z h GLU 47 Cb 0.00 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3i1z h GLU 47 CO 0.00 -0.45 -0.36 -2.00 -1.00 0.00 0.00 179.01 175.20 3i1z s GLU 48 N -4.02 3.49 0.30 2.33 2.56 -1.26 -5.02 118.70 117.08 3i1z s GLU 48 Ca -0.10 -0.44 0.00 0.00 0.00 0.00 0.00 54.97 54.43 3i1z s GLU 48 Cb 0.01 -2.86 0.00 0.00 2.00 0.00 0.00 34.13 33.28 3i1z s GLU 48 CO 0.31 0.41 0.00 0.41 -0.56 0.00 0.00 175.26 175.83 3i1z n GLY 49 N -0.80 -0.60 3.24 -1.50 0.00 -1.26 -4.87 105.19 99.39 3i1z n GLY 49 Ca -0.06 0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.07 3i1z n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1z s THR 50 N -2.00 -0.95 0.91 2.61 2.01 -1.26 -3.57 115.64 113.38 3i1z s THR 50 Ca 0.00 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.86 3i1z s THR 50 Cb 0.00 -1.00 0.14 0.00 0.01 0.00 0.00 72.50 71.65 3i1z s THR 50 CO 0.00 0.00 1.21 -0.60 -0.69 0.00 0.00 174.62 174.54 3i1z s ARG 51 N 2.87 1.16 0.00 4.92 3.52 -1.24 -4.98 118.95 125.21 3i1z s ARG 51 Ca 0.15 -0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.73 3i1z s ARG 51 Cb -0.14 -1.87 0.00 0.00 -1.56 0.00 0.00 34.95 31.38 3i1z s ARG 51 CO -0.20 -2.12 0.00 -0.11 -0.81 0.00 0.00 175.30 172.06 3i1z n LEU 52 N -3.65 0.00 -4.55 -0.88 7.94 -1.26 -3.62 117.00 110.97 3i1z n LEU 52 Ca 0.10 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.58 3i1z n LEU 52 Cb 0.60 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.53 3i1z n LEU 52 CO 0.53 0.00 1.51 -0.62 -1.11 0.00 0.00 177.39 177.70 3i1z s ASP 53 N 0.00 6.60 0.00 1.96 2.15 -0.54 -4.84 116.67 122.00 3i1z s ASP 53 Ca 0.00 -1.76 0.18 0.00 0.43 0.00 0.00 52.55 51.40 3i1z s ASP 53 Cb 0.00 -2.54 0.91 0.00 -0.30 0.00 0.00 42.92 40.99 3i1z s ASP 53 CO 0.00 -1.37 1.56 0.18 -0.17 0.00 0.00 175.17 175.38 3i1z n LEU 54 N 8.40 0.00 -0.05 -1.34 4.32 -1.26 -1.93 117.00 125.13 3i1z n LEU 54 Ca 0.35 0.31 -0.08 0.00 -0.02 0.00 0.00 56.01 56.57 3i1z n LEU 54 Cb 0.50 -0.31 -0.08 0.00 -1.62 0.00 0.00 43.42 41.91 3i1z n LEU 54 CO 0.66 -0.12 0.24 -2.24 -1.22 0.00 0.00 177.39 174.71 3i1z h ASP 55 N 0.00 -0.02 -0.73 -1.43 -0.00 -1.99 -2.98 116.42 109.28 3i1z h ASP 55 Ca 0.00 -0.56 -0.05 0.00 -0.00 0.00 0.00 57.03 56.42 3i1z h ASP 55 Cb 0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.49 3i1z h ASP 55 CO 0.00 0.75 0.25 0.03 -0.00 0.00 0.00 179.24 180.27 3i1z h ARG 56 N -0.99 1.11 0.07 4.15 2.47 -1.95 -1.85 114.38 117.39 3i1z h ARG 56 Ca -0.00 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 3i1z h ARG 56 Cb 0.57 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 3i1z h ARG 56 CO 0.00 0.94 -0.19 0.82 0.56 0.00 0.00 179.97 182.10 3i1z h ILE 57 N 1.06 0.00 -0.81 2.04 2.04 -1.54 -1.44 117.51 118.86 3i1z h ILE 57 Ca 0.24 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.28 3i1z h ILE 57 Cb 0.27 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.23 3i1z h ILE 57 CO -0.01 0.00 0.28 0.00 0.00 0.00 0.00 178.15 178.42 3i1z h ALA 58 N -1.23 1.18 -0.23 1.87 0.00 -1.52 -1.88 119.26 117.44 3i1z h ALA 58 Ca -0.01 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3i1z h ALA 58 Cb 0.28 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 3i1z h ALA 58 CO -0.09 -0.32 -0.50 1.25 0.00 0.00 0.00 179.25 179.58 3i1z h HIS 59 N 0.34 -1.48 -0.78 0.00 -0.00 -0.76 0.83 115.15 113.31 3i1z h HIS 59 Ca 0.48 0.06 0.10 0.00 -0.00 0.00 0.00 60.37 61.01 3i1z h HIS 59 Cb 0.86 0.68 -0.07 0.00 -0.00 0.00 0.00 27.41 28.87 3i1z h HIS 59 CO -0.20 -0.50 0.42 -1.49 -0.00 0.00 0.00 177.93 176.15 3i1z h TRP 60 N -0.49 0.76 0.00 5.26 4.06 -0.49 1.06 115.95 126.12 3i1z h TRP 60 Ca 0.07 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 61.03 3i1z h TRP 60 Cb 0.64 -0.22 -0.00 0.00 -1.00 0.00 0.00 29.16 28.57 3i1z h TRP 60 CO -0.60 0.29 -0.11 0.28 -3.56 0.00 0.00 178.44 174.75 3i1z h VAL 61 N 0.70 0.50 0.02 1.49 2.07 -0.51 0.17 116.25 120.69 3i1z h VAL 61 Ca 0.38 -0.51 -0.22 0.00 0.82 0.00 0.00 66.70 67.17 3i1z h VAL 61 Cb 0.38 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3i1z h VAL 61 CO -0.26 0.10 -0.94 1.23 0.02 0.00 0.00 177.57 177.72 3i1z h GLY 62 N 0.90 0.31 0.05 2.17 0.00 0.64 -2.41 103.07 104.73 3i1z h GLY 62 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.75 3i1z h GLY 62 CO 0.01 0.51 0.00 -0.18 0.00 0.00 0.00 176.54 176.88 3i1z n GLN 63 N -3.67 0.82 -2.16 4.80 -0.06 0.31 -4.84 117.38 112.58 3i1z n GLN 63 Ca -0.05 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.93 3i1z n GLN 63 Cb 0.84 -1.02 0.01 0.00 -4.06 0.00 0.00 30.24 26.01 3i1z n GLN 63 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i1z n GLY 64 N 0.33 0.40 2.97 1.69 0.00 -0.44 -5.02 105.19 105.14 3i1z n GLY 64 Ca 0.01 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 3i1z n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1z n ALA 65 N -1.38 0.68 -2.82 4.61 0.00 -0.14 -4.85 120.51 116.61 3i1z n ALA 65 Ca -0.02 -1.57 0.00 0.00 0.00 0.00 0.00 53.44 51.85 3i1z n ALA 65 Cb 0.51 0.37 0.00 0.00 0.00 0.00 0.00 19.45 20.34 3i1z n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i1z n THR 66 N -2.15 0.00 -3.58 0.00 -2.24 -0.57 -4.71 114.28 101.02 3i1z n THR 66 Ca 0.13 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.90 3i1z n THR 66 Cb 0.46 -0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 3i1z n THR 66 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3i1z s ILE 67 N 1.32 -0.10 0.47 2.28 1.10 -1.26 -3.77 121.20 121.24 3i1z s ILE 67 Ca 0.00 0.00 -0.25 0.00 -0.51 0.00 0.00 60.65 59.89 3i1z s ILE 67 Cb 0.00 -1.00 -0.08 0.00 0.15 0.00 0.00 42.46 41.53 3i1z s ILE 67 CO 0.00 0.00 1.40 -0.44 -2.11 0.00 0.00 174.94 173.79 3i1z s SER 68 N 1.53 5.78 0.32 4.50 0.01 -1.13 -4.81 113.70 119.90 3i1z s SER 68 Ca -0.07 2.86 0.17 0.00 1.31 0.00 0.00 55.95 60.22 3i1z s SER 68 Cb -0.04 -2.65 0.42 0.00 0.21 0.00 0.00 66.02 63.96 3i1z s SER 68 CO -0.15 -1.24 1.61 -2.24 0.41 0.00 0.00 173.24 171.64 3i1z h ASP 69 N 2.16 0.00 1.01 2.44 3.04 -1.97 0.29 116.42 123.40 3i1z h ASP 69 Ca -0.51 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.14 3i1z h ASP 69 Cb 1.27 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.54 3i1z h ASP 69 CO 0.60 0.46 -0.69 -0.09 -2.04 0.00 0.00 179.24 177.49 3i1z h ARG 70 N 0.00 0.00 0.47 4.15 9.65 -1.98 -0.59 114.38 126.08 3i1z h ARG 70 Ca -0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 3i1z h ARG 70 Cb 1.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 3i1z h ARG 70 CO 0.06 0.69 -0.22 0.28 2.80 0.00 0.00 179.97 183.58 3i1z h VAL 71 N 0.00 0.01 0.00 0.20 2.07 -1.80 -3.01 116.25 113.72 3i1z h VAL 71 Ca -0.01 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3i1z h VAL 71 Cb 1.39 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3i1z h VAL 71 CO 0.09 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.84 3i1z h ALA 72 N -1.16 1.15 -0.45 1.67 0.00 -0.48 0.83 119.26 120.82 3i1z h ALA 72 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 3i1z h ALA 72 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3i1z h ALA 72 CO 0.11 -0.15 -0.25 0.00 0.00 0.00 0.00 179.25 178.96 3i1z h ALA 73 N 1.65 0.63 0.04 0.00 0.00 -1.09 -2.63 119.26 117.87 3i1z h ALA 73 Ca 0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 54.31 3i1z h ALA 73 Cb 0.32 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.98 3i1z h ALA 73 CO 0.00 0.65 -0.78 -0.07 0.00 0.00 0.00 179.25 179.04 3i1z h LEU 74 N 0.80 0.63 -0.25 0.00 3.38 0.75 -2.51 115.31 118.11 3i1z h LEU 74 Ca 0.10 -0.79 0.06 0.00 0.09 0.00 0.00 57.88 57.33 3i1z h LEU 74 Cb 0.83 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 3i1z h LEU 74 CO 0.07 1.35 -0.23 0.40 0.09 0.00 0.00 178.44 180.12 3i1z h ILE 75 N -0.02 0.41 -1.30 1.22 2.04 -1.21 0.14 117.51 118.79 3i1z h ILE 75 Ca -0.11 0.00 -0.61 0.00 1.00 0.00 0.00 64.86 65.15 3i1z h ILE 75 Cb 1.50 0.41 -0.23 0.00 -0.74 0.00 0.00 36.82 37.77 3i1z h ILE 75 CO 0.15 0.00 0.73 1.17 0.00 0.00 0.00 178.15 180.20 3i1z n LYS 76 N -5.37 2.50 0.00 2.37 3.00 -0.99 -3.45 118.16 116.22 3i1z n LYS 76 Ca -0.01 -2.83 0.00 0.00 -0.00 0.00 0.00 58.31 55.47 3i1z n LYS 76 Cb 0.28 -2.14 0.00 0.00 0.00 0.00 0.00 35.03 33.17 3i1z n LYS 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3i1z n GLU 77 N -0.04 2.73 -1.23 1.64 0.00 -0.15 -4.74 120.64 118.85 3i1z n GLU 77 Ca 0.51 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 57.42 3i1z n GLU 77 Cb 0.46 -0.55 0.15 0.00 0.00 0.00 0.00 31.44 31.50 3i1z n GLU 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 3i1z n VAL 78 N -0.43 3.23 0.00 6.31 3.14 0.31 -5.03 118.33 125.85 3i1z n VAL 78 Ca 0.00 -2.32 0.00 0.00 -2.96 0.00 0.00 64.34 59.06 3i1z n VAL 78 Cb 0.03 -0.64 0.00 0.00 -1.06 0.00 0.00 33.84 32.17 3i1z n VAL 78 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3i1z n ASN 79 N -1.08 0.00 0.00 6.55 3.02 -1.25 -4.82 115.26 117.68 3i1z n ASN 79 Ca 0.57 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 3i1z n ASN 79 Cb 1.34 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.51 3i1z n ASN 79 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3i1z n LYS 80 N 14.00 0.00 -0.10 3.52 4.81 -1.26 -4.46 118.16 134.67 3i1z n LYS 80 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 3i1z n LYS 80 Cb 0.00 0.00 0.29 0.00 0.02 0.00 0.00 35.03 35.34 3i1z n LYS 80 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1z n ALA 81 N 0.00 2.48 -1.59 3.14 0.00 -1.26 -5.07 120.51 118.21 3i1z n ALA 81 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3i1z n ALA 81 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3i1z n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50