#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1z n SER 3 N 0.00 0.00 0.10 2.89 7.64 -1.26 -4.99 113.62 118.00 3i1z n SER 3 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 3i1z n SER 3 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 3i1z n SER 3 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3i1z h LEU 4 N 0.00 0.00 0.00 -3.43 4.07 -2.03 -3.47 115.31 110.44 3i1z h LEU 4 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3i1z h LEU 4 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3i1z h LEU 4 CO 0.00 0.70 0.00 0.29 -1.08 0.00 0.00 178.44 178.35 3i1z n LYS 5 N -3.26 0.00 -3.83 1.13 5.02 -1.26 -4.45 118.16 111.51 3i1z n LYS 5 Ca 0.01 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 3i1z n LYS 5 Cb 0.82 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.70 3i1z n LYS 5 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i1z s LYS 6 N 0.00 1.88 0.00 1.97 -0.14 -1.26 -5.00 119.74 117.18 3i1z s LYS 6 Ca 0.00 -2.66 0.00 0.00 -1.36 0.00 0.00 55.97 51.95 3i1z s LYS 6 Cb 0.00 -2.96 0.00 0.00 -1.68 0.00 0.00 37.83 33.19 3i1z s LYS 6 CO 0.00 -1.20 0.00 0.41 -0.76 0.00 0.00 175.35 173.80 3i1z n GLY 7 N 2.83 1.93 3.70 -3.33 0.00 -1.26 -5.07 105.19 103.99 3i1z n GLY 7 Ca 0.13 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.69 3i1z n GLY 7 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i1z s PRO 8 N -3.32 1.61 -0.03 1.61 0.02 -1.26 -4.92 135.00 128.71 3i1z s PRO 8 Ca 0.00 1.67 0.02 0.00 0.02 0.00 0.00 61.00 62.71 3i1z s PRO 8 Cb 0.00 -1.78 0.01 0.00 0.02 0.00 0.00 34.50 32.75 3i1z s PRO 8 CO 0.00 -2.22 -0.07 0.12 -0.33 0.00 0.00 177.00 174.50 3i1z s PHE 9 N -2.29 0.84 0.20 6.54 2.19 -1.26 -5.10 117.98 119.09 3i1z s PHE 9 Ca 0.71 -0.22 -0.01 0.00 0.33 0.00 0.00 56.93 57.74 3i1z s PHE 9 Cb -0.27 -0.64 -0.04 0.00 -1.31 0.00 0.00 43.02 40.76 3i1z s PHE 9 CO 0.52 -0.13 0.11 0.96 1.83 0.00 0.00 175.22 178.50 3i1z s ILE 10 N 0.46 0.13 0.12 3.12 -4.36 -1.26 -3.25 121.20 116.16 3i1z s ILE 10 Ca -0.07 -1.99 -0.29 0.00 -0.26 0.00 0.00 60.65 58.05 3i1z s ILE 10 Cb -0.11 -2.45 -0.06 0.00 1.25 0.00 0.00 42.46 41.09 3i1z s ILE 10 CO 0.01 -0.08 0.90 -1.81 0.24 0.00 0.00 174.94 174.20 3i1z s ASP 11 N -3.17 7.46 0.34 4.36 -0.00 -1.26 -4.97 116.67 119.43 3i1z s ASP 11 Ca 0.36 1.74 0.03 0.00 -0.00 0.00 0.00 52.55 54.68 3i1z s ASP 11 Cb 0.07 -2.56 0.60 0.00 -0.00 0.00 0.00 42.92 41.03 3i1z s ASP 11 CO 0.11 0.01 1.92 -0.07 -0.00 0.00 0.00 175.17 177.13 3i1z h LEU 12 N 5.25 0.59 -0.60 1.23 3.38 -2.01 -0.85 115.31 122.32 3i1z h LEU 12 Ca -0.44 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3i1z h LEU 12 Cb 1.21 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3i1z h LEU 12 CO 0.70 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.80 3i1z n HIS 13 N -4.34 0.76 -0.01 1.13 1.44 -1.26 -1.99 115.22 110.96 3i1z n HIS 13 Ca 0.03 0.29 -0.15 0.00 -2.01 0.00 0.00 57.72 55.89 3i1z n HIS 13 Cb 0.18 -0.97 -0.14 0.00 0.12 0.00 0.00 29.99 29.17 3i1z n HIS 13 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 3i1z n LEU 14 N -2.19 1.72 -0.26 2.39 7.94 -0.37 -3.59 117.00 122.64 3i1z n LEU 14 Ca 0.02 0.33 -0.07 0.00 -1.11 0.00 0.00 56.01 55.18 3i1z n LEU 14 Cb 0.24 -0.45 0.05 0.00 0.53 0.00 0.00 43.42 43.79 3i1z n LEU 14 CO 0.20 0.61 0.95 0.25 -1.11 0.00 0.00 177.39 178.30 3i1z h LEU 15 N 0.04 1.08 -0.13 -1.96 5.85 -1.16 -2.68 115.31 116.35 3i1z h LEU 15 Ca -0.35 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.19 3i1z h LEU 15 Cb 2.02 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.72 3i1z h LEU 15 CO 0.09 1.02 -0.21 0.11 -0.34 0.00 0.00 178.44 179.11 3i1z h LYS 16 N 1.08 -0.26 -0.15 1.25 1.57 -1.52 -1.66 116.57 116.88 3i1z h LYS 16 Ca 0.23 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.07 3i1z h LYS 16 Cb 0.36 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 3i1z h LYS 16 CO 0.00 -0.17 -0.19 0.87 -0.57 0.00 0.00 179.45 179.39 3i1z h LYS 17 N -0.27 -0.22 -0.89 3.15 1.57 -1.59 0.50 116.57 118.82 3i1z h LYS 17 Ca 0.10 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.06 3i1z h LYS 17 Cb 0.41 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.67 3i1z h LYS 17 CO -0.28 -0.15 0.46 0.28 -0.57 0.00 0.00 179.45 179.19 3i1z h VAL 18 N -0.23 0.68 -0.02 0.50 2.07 -1.07 0.28 116.25 118.45 3i1z h VAL 18 Ca 0.10 -0.21 -0.14 0.00 0.82 0.00 0.00 66.70 67.27 3i1z h VAL 18 Cb 0.39 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3i1z h VAL 18 CO -0.28 0.11 -0.65 -0.33 0.02 0.00 0.00 177.57 176.44 3i1z h GLU 19 N 0.61 0.10 0.56 1.57 4.39 -0.71 -3.26 114.58 117.84 3i1z h GLU 19 Ca 0.50 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 60.10 3i1z h GLU 19 Cb 0.78 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.44 3i1z h GLU 19 CO -0.40 0.71 -0.27 -0.22 -1.16 0.00 0.00 179.01 177.67 3i1z h LYS 20 N 0.07 -0.72 -2.29 2.33 3.64 0.17 -2.87 116.57 116.90 3i1z h LYS 20 Ca -0.01 0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 3i1z h LYS 20 Cb 1.15 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 3i1z h LYS 20 CO 0.09 -0.47 -0.05 0.00 -2.27 0.00 0.00 179.45 176.75 3i1z n ALA 21 N -2.44 4.11 -0.12 5.00 0.00 -0.27 -2.99 120.51 123.80 3i1z n ALA 21 Ca -0.12 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.41 3i1z n ALA 21 Cb 0.32 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3i1z n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1z n VAL 22 N 2.47 0.00 1.16 0.00 0.31 -1.08 -4.45 118.33 116.75 3i1z n VAL 22 Ca 0.21 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.68 3i1z n VAL 22 Cb 0.52 -0.59 0.65 0.00 -0.91 0.00 0.00 33.84 33.52 3i1z n VAL 22 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i1z n GLU 23 N -2.32 0.23 -0.12 5.55 4.07 -1.24 -3.47 120.64 123.34 3i1z n GLU 23 Ca 0.00 0.03 -0.26 0.00 -0.06 0.00 0.00 57.16 56.87 3i1z n GLU 23 Cb 0.00 -1.50 -0.11 0.00 -0.06 0.00 0.00 31.44 29.77 3i1z n GLU 23 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3i1z n SER 24 N -1.37 1.94 0.00 4.31 7.64 -1.16 -5.13 113.62 119.84 3i1z n SER 24 Ca 0.10 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.31 3i1z n SER 24 Cb 0.26 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 3i1z n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1z n GLY 25 N 1.44 2.81 3.49 0.23 0.00 -1.23 -5.06 105.19 106.87 3i1z n GLY 25 Ca -0.45 -2.06 -0.31 0.00 0.00 0.00 0.00 46.02 43.21 3i1z n GLY 25 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i1z s ASP 26 N 0.00 -0.02 0.00 1.61 -4.77 -1.26 -4.48 116.67 107.75 3i1z s ASP 26 Ca 0.00 0.58 0.00 0.00 -3.30 0.00 0.00 52.55 49.83 3i1z s ASP 26 Cb 0.00 -0.77 0.00 0.00 -1.09 0.00 0.00 42.92 41.06 3i1z s ASP 26 CO 0.00 -4.69 0.00 2.29 0.70 0.00 0.00 175.17 173.47 3i1z n LYS 27 N -5.14 0.00 -1.18 2.11 2.85 -1.26 -5.09 118.16 110.45 3i1z n LYS 27 Ca 0.15 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 57.10 3i1z n LYS 27 Cb 0.60 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 35.08 3i1z n LYS 27 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3i1z s LYS 28 N -0.13 2.08 0.35 -1.58 1.02 -1.26 -4.86 119.74 115.36 3i1z s LYS 28 Ca 0.00 1.23 -0.25 0.00 0.02 0.00 0.00 55.97 56.97 3i1z s LYS 28 Cb 0.00 -1.87 -0.13 0.00 -0.52 0.00 0.00 37.83 35.31 3i1z s LYS 28 CO 0.00 -1.79 0.79 -0.35 -0.92 0.00 0.00 175.35 173.09 3i1z n PRO 29 N -3.61 0.92 -3.60 -1.68 -0.04 -1.26 -4.86 135.00 120.87 3i1z n PRO 29 Ca 0.10 0.33 -0.37 0.00 -0.04 0.00 0.00 63.50 63.51 3i1z n PRO 29 Cb 0.53 -1.66 -0.09 0.00 -0.04 0.00 0.00 33.50 32.23 3i1z n PRO 29 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i1z s LEU 30 N 1.02 4.11 -0.33 1.53 1.02 -1.26 -4.77 118.68 120.00 3i1z s LEU 30 Ca 0.62 0.17 -0.21 0.00 0.02 0.00 0.00 54.13 54.72 3i1z s LEU 30 Cb -0.67 -2.18 -0.00 0.00 0.02 0.00 0.00 46.19 43.36 3i1z s LEU 30 CO 0.58 0.02 0.66 -0.13 0.02 0.00 0.00 176.35 177.51 3i1z s ARG 31 N 1.22 3.82 0.02 1.70 0.52 -1.26 0.13 118.95 125.10 3i1z s ARG 31 Ca 0.10 0.25 0.01 0.00 -0.52 0.00 0.00 55.73 55.57 3i1z s ARG 31 Cb -0.14 -3.76 -0.02 0.00 0.52 0.00 0.00 34.95 31.55 3i1z s ARG 31 CO 0.06 -0.66 -0.04 0.95 0.02 0.00 0.00 175.30 175.63 3i1z s THR 32 N 2.73 0.23 -1.50 0.02 -4.23 -1.21 -5.00 115.64 106.68 3i1z s THR 32 Ca 0.26 -0.72 0.26 0.00 -1.18 0.00 0.00 61.69 60.31 3i1z s THR 32 Cb -0.14 -0.31 0.17 0.00 1.34 0.00 0.00 72.50 73.55 3i1z s THR 32 CO 0.13 -0.32 1.50 0.79 -0.54 0.00 0.00 174.62 176.18 3i1z n TRP 33 N 1.96 0.00 -1.08 3.99 8.01 -1.26 -3.44 117.44 125.62 3i1z n TRP 33 Ca -0.20 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.57 3i1z n TRP 33 Cb 0.56 -0.16 -0.06 0.00 -2.01 0.00 0.00 31.31 29.64 3i1z n TRP 33 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3i1z n SER 34 N -0.94 2.57 0.00 -0.99 2.88 -1.26 -4.57 113.62 111.31 3i1z n SER 34 Ca 0.10 -2.64 0.02 0.00 -1.33 0.00 0.00 58.87 55.02 3i1z n SER 34 Cb 0.35 -1.07 0.14 0.00 -0.75 0.00 0.00 64.21 62.87 3i1z n SER 34 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3i1z n ARG 35 N 6.86 0.67 0.12 -1.46 1.74 -1.26 -2.72 116.66 120.62 3i1z n ARG 35 Ca 0.49 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.67 3i1z n ARG 35 Cb 0.38 -1.11 0.03 0.00 -1.02 0.00 0.00 32.46 30.74 3i1z n ARG 35 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1z h ARG 36 N 0.00 0.00 -6.86 5.56 3.08 -1.96 -2.48 114.38 111.72 3i1z h ARG 36 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3i1z h ARG 36 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.08 3i1z h ARG 36 CO 0.00 0.04 0.50 -1.12 -1.07 0.00 0.00 179.97 178.32 3i1z s SER 37 N -5.59 6.99 -0.16 7.04 0.01 -1.10 -4.80 113.70 116.09 3i1z s SER 37 Ca 0.01 2.34 -0.19 0.00 1.31 0.00 0.00 55.95 59.42 3i1z s SER 37 Cb 0.09 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 3i1z s SER 37 CO 0.77 -0.35 0.53 -0.89 0.41 0.00 0.00 173.24 173.71 3i1z s THR 38 N -1.25 5.13 0.01 1.44 2.01 -1.20 -1.42 115.64 120.35 3i1z s THR 38 Ca 0.49 1.01 -0.34 0.00 0.31 0.00 0.00 61.69 63.16 3i1z s THR 38 Cb -0.32 -3.86 -0.13 0.00 0.01 0.00 0.00 72.50 68.21 3i1z s THR 38 CO 0.41 0.24 1.76 -0.38 -0.69 0.00 0.00 174.62 175.96 3i1z n ILE 39 N 4.14 0.35 -3.40 1.82 5.41 0.43 -4.90 119.36 123.21 3i1z n ILE 39 Ca -0.05 -0.06 -0.35 0.00 1.00 0.00 0.00 62.75 63.28 3i1z n ILE 39 Cb 0.51 -1.73 -0.06 0.00 -0.71 0.00 0.00 39.64 37.65 3i1z n ILE 39 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3i1z s PHE 40 N 2.79 3.62 0.32 1.39 0.40 -1.26 -4.21 117.98 121.03 3i1z s PHE 40 Ca 0.87 1.02 0.08 0.00 -0.60 0.00 0.00 56.93 58.30 3i1z s PHE 40 Cb -0.69 -2.33 0.91 0.00 0.51 0.00 0.00 43.02 41.42 3i1z s PHE 40 CO 0.46 0.47 1.62 -1.35 0.70 0.00 0.00 175.22 177.12 3i1z h PRO 41 N 3.71 0.13 0.00 0.24 0.11 -1.93 0.25 132.00 134.51 3i1z h PRO 41 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i1z h PRO 41 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3i1z h PRO 41 CO 0.65 0.09 0.00 0.27 -0.21 0.00 0.00 178.00 178.80 3i1z n ASN 42 N -5.27 0.00 -0.01 -2.05 2.04 -1.26 -1.31 115.26 107.40 3i1z n ASN 42 Ca 0.27 -0.14 -0.13 0.00 -0.44 0.00 0.00 54.58 54.14 3i1z n ASN 42 Cb 0.87 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.98 3i1z n ASN 42 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 3i1z n MET 43 N -1.00 0.68 -1.55 -3.83 2.81 0.87 -4.94 117.12 110.16 3i1z n MET 43 Ca 0.03 0.28 -0.63 0.00 -1.81 0.00 0.00 57.70 55.58 3i1z n MET 43 Cb 0.01 -1.76 -0.10 0.00 -0.71 0.00 0.00 33.22 30.66 3i1z n MET 43 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3i1z n ILE 44 N -3.20 0.04 0.00 2.02 5.41 -0.42 -1.47 119.36 121.73 3i1z n ILE 44 Ca -0.22 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.51 3i1z n ILE 44 Cb 1.05 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 39.35 3i1z n ILE 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i1z n GLY 45 N 5.45 1.64 0.00 7.39 0.00 -1.18 -5.07 105.19 113.42 3i1z n GLY 45 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3i1z n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1z n LEU 46 N 0.00 0.00 0.00 0.99 4.77 -0.55 -5.01 117.00 117.21 3i1z n LEU 46 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i1z n LEU 46 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i1z n LEU 46 CO 0.00 -0.04 -0.33 0.35 -1.33 0.00 0.00 177.39 176.04 3i1z n THR 47 N -0.08 0.00 0.00 -5.08 -2.24 -1.26 -4.02 114.28 101.60 3i1z n THR 47 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i1z n THR 47 Cb 0.00 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 3i1z n THR 47 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3i1z n ILE 48 N -1.80 0.00 -3.36 2.28 -6.64 -1.26 -3.11 119.36 105.47 3i1z n ILE 48 Ca 0.00 0.00 -0.45 0.00 -1.77 0.00 0.00 62.75 60.53 3i1z n ILE 48 Cb 0.33 0.00 -0.05 0.00 -1.44 0.00 0.00 39.64 38.48 3i1z n ILE 48 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3i1z s ALA 49 N 0.00 3.67 0.32 -1.28 0.00 0.12 -3.21 121.76 121.39 3i1z s ALA 49 Ca 0.00 -2.66 -0.27 0.00 0.00 0.00 0.00 51.96 49.03 3i1z s ALA 49 Cb 0.00 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 3i1z s ALA 49 CO 0.00 -2.04 1.02 0.08 0.00 0.00 0.00 175.76 174.82 3i1z s VAL 50 N 1.34 3.85 -0.44 0.00 1.01 -1.12 -3.34 120.40 121.69 3i1z s VAL 50 Ca 0.06 1.62 -0.22 0.00 0.00 0.00 0.00 61.98 63.43 3i1z s VAL 50 Cb -0.27 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.20 3i1z s VAL 50 CO 0.01 0.21 0.73 -2.28 0.00 0.00 0.00 175.10 173.77 3i1z s HIS 51 N -1.45 3.02 -1.37 5.22 2.46 -1.22 -0.90 115.29 121.05 3i1z s HIS 51 Ca 0.50 0.10 0.08 0.00 0.47 0.00 0.00 55.06 56.21 3i1z s HIS 51 Cb -0.24 -3.54 0.32 0.00 -0.13 0.00 0.00 32.58 28.98 3i1z s HIS 51 CO 0.31 -0.94 1.14 0.27 -2.47 0.00 0.00 174.74 173.05 3i1z n ASN 52 N 6.54 2.34 0.00 9.88 6.94 -0.91 -4.84 115.26 135.22 3i1z n ASN 52 Ca 0.01 -2.19 0.00 0.00 -0.02 0.00 0.00 54.58 52.38 3i1z n ASN 52 Cb 0.48 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 3i1z n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i1z n GLY 53 N 0.66 1.61 0.11 4.83 0.00 -1.26 -4.37 105.19 106.77 3i1z n GLY 53 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3i1z n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i1z n ARG 54 N -0.18 0.00 -3.83 1.61 1.85 -1.26 -5.12 116.66 109.72 3i1z n ARG 54 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 3i1z n ARG 54 Cb 0.00 -0.77 -0.06 0.00 -1.05 0.00 0.00 32.46 30.58 3i1z n ARG 54 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3i1z s GLN 55 N -1.65 1.11 -0.81 2.89 -1.52 -1.26 -5.12 119.66 113.30 3i1z s GLN 55 Ca 0.00 -0.98 -0.18 0.00 -1.95 0.00 0.00 55.36 52.25 3i1z s GLN 55 Cb 0.00 0.41 0.14 0.00 -0.22 0.00 0.00 33.01 33.35 3i1z s GLN 55 CO 0.00 -0.42 0.92 -1.01 -0.25 0.00 0.00 175.29 174.53 3i1z s HIS 56 N -3.89 3.24 0.13 0.91 3.76 -1.26 -2.13 115.29 116.04 3i1z s HIS 56 Ca 0.10 -1.40 -0.31 0.00 -0.15 0.00 0.00 55.06 53.30 3i1z s HIS 56 Cb 0.03 -4.10 -0.09 0.00 1.11 0.00 0.00 32.58 29.53 3i1z s HIS 56 CO -0.05 -1.32 1.50 0.14 -0.85 0.00 0.00 174.74 174.15 3i1z s VAL 57 N 2.09 2.96 0.33 -0.90 -7.23 -0.08 -4.60 120.40 112.97 3i1z s VAL 57 Ca 0.23 0.67 -0.29 0.00 -1.81 0.00 0.00 61.98 60.78 3i1z s VAL 57 Cb -0.12 -3.43 -0.12 0.00 0.56 0.00 0.00 36.38 33.28 3i1z s VAL 57 CO -0.04 0.05 1.36 -0.81 -0.31 0.00 0.00 175.10 175.35 3i1z n PRO 58 N 4.11 2.26 -3.99 4.82 -0.04 -1.26 -2.78 135.00 138.12 3i1z n PRO 58 Ca 0.13 0.79 -0.09 0.00 -0.04 0.00 0.00 63.50 64.30 3i1z n PRO 58 Cb 0.40 -2.43 -0.10 0.00 -0.04 0.00 0.00 33.50 31.33 3i1z n PRO 58 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i1z s VAL 59 N -0.87 0.15 -0.33 0.52 1.01 -1.18 -4.95 120.40 114.74 3i1z s VAL 59 Ca 0.57 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 3i1z s VAL 59 Cb -0.56 -0.87 0.11 0.00 0.00 0.00 0.00 36.38 35.06 3i1z s VAL 59 CO 0.60 -0.68 0.13 0.12 0.00 0.00 0.00 175.10 175.27 3i1z s PHE 60 N -2.61 1.57 -0.80 5.22 5.36 -1.26 -4.23 117.98 121.23 3i1z s PHE 60 Ca -0.05 -1.77 -0.23 0.00 -0.96 0.00 0.00 56.93 53.92 3i1z s PHE 60 Cb -0.01 -1.62 -0.18 0.00 -0.34 0.00 0.00 43.02 40.86 3i1z s PHE 60 CO -0.05 -0.86 2.41 1.33 -1.46 0.00 0.00 175.22 176.60 3i1z n VAL 61 N 4.61 -0.02 -1.26 3.12 0.24 -1.26 -4.90 118.33 118.86 3i1z n VAL 61 Ca 0.00 -0.49 -0.30 0.00 -2.04 0.00 0.00 64.34 61.52 3i1z n VAL 61 Cb 0.40 -1.47 0.21 0.00 -1.47 0.00 0.00 33.84 31.52 3i1z n VAL 61 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3i1z s THR 62 N 9.68 1.76 0.20 3.34 2.01 -1.26 -3.11 115.64 128.26 3i1z s THR 62 Ca 1.12 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.96 3i1z s THR 62 Cb -0.52 -2.59 0.19 0.00 0.01 0.00 0.00 72.50 69.59 3i1z s THR 62 CO 0.32 0.00 1.62 -0.78 -0.69 0.00 0.00 174.62 175.09 3i1z h ASP 63 N -2.25 -0.73 -0.37 3.53 -0.00 -1.99 -2.72 116.42 111.89 3i1z h ASP 63 Ca -0.47 0.19 0.00 0.00 -0.00 0.00 0.00 57.03 56.75 3i1z h ASP 63 Cb 1.29 0.43 0.00 0.00 -0.00 0.00 0.00 39.33 41.05 3i1z h ASP 63 CO 0.41 -0.24 0.00 -1.84 -0.00 0.00 0.00 179.24 177.57 3i1z n GLU 64 N -5.43 2.55 -1.30 0.28 -0.00 -1.26 -4.70 120.64 110.78 3i1z n GLU 64 Ca 0.06 -2.05 -0.42 0.00 -0.00 0.00 0.00 57.16 54.75 3i1z n GLU 64 Cb 0.33 -1.32 -0.05 0.00 -0.00 0.00 0.00 31.44 30.39 3i1z n GLU 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3i1z n MET 65 N 0.77 1.65 0.00 3.44 2.81 -1.03 -4.46 117.12 120.30 3i1z n MET 65 Ca 0.13 -1.98 0.00 0.00 -1.81 0.00 0.00 57.70 54.04 3i1z n MET 65 Cb 0.45 -3.03 0.00 0.00 -0.71 0.00 0.00 33.22 29.94 3i1z n MET 65 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3i1z n VAL 66 N 6.08 0.00 0.00 2.03 0.31 -1.26 -4.64 118.33 120.84 3i1z n VAL 66 Ca 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 3i1z n VAL 66 Cb 0.41 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 3i1z n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1z n GLY 67 N 3.93 0.00 3.98 2.92 0.00 -1.26 -2.12 105.19 112.64 3i1z n GLY 67 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3i1z n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i1z s HIS 68 N -1.97 2.98 0.55 1.61 3.76 -1.26 -4.83 115.29 116.13 3i1z s HIS 68 Ca 0.00 -0.13 -0.02 0.00 -0.15 0.00 0.00 55.06 54.76 3i1z s HIS 68 Cb 0.00 -2.37 0.02 0.00 1.11 0.00 0.00 32.58 31.34 3i1z s HIS 68 CO 0.00 -0.42 0.81 0.15 -0.85 0.00 0.00 174.74 174.43 3i1z s LYS 69 N -4.46 2.74 0.23 1.40 -0.14 -1.26 -0.43 119.74 117.83 3i1z s LYS 69 Ca 0.52 -0.41 0.12 0.00 -1.36 0.00 0.00 55.97 54.83 3i1z s LYS 69 Cb -0.10 -2.40 0.12 0.00 -1.68 0.00 0.00 37.83 33.77 3i1z s LYS 69 CO 0.35 -0.66 1.46 -0.07 -0.76 0.00 0.00 175.35 175.68 3i1z h LEU 70 N 0.00 0.00 0.00 3.17 3.38 -1.33 -3.17 115.31 117.36 3i1z h LEU 70 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3i1z h LEU 70 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3i1z h LEU 70 CO 0.57 0.69 0.00 0.61 0.09 0.00 0.00 178.44 180.40 3i1z n GLY 71 N 0.91 -1.00 0.41 0.83 0.00 -0.94 -2.25 105.19 103.16 3i1z n GLY 71 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.00 3i1z n GLY 71 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1z n GLU 72 N -1.38 1.52 -0.29 1.61 1.02 -1.20 -3.58 120.64 118.34 3i1z n GLU 72 Ca 0.07 -0.81 0.03 0.00 -0.02 0.00 0.00 57.16 56.43 3i1z n GLU 72 Cb 0.18 -1.23 0.04 0.00 -0.02 0.00 0.00 31.44 30.40 3i1z n GLU 72 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3i1z n PHE 73 N 0.11 0.00 -3.21 -0.32 3.01 -0.95 -4.90 117.46 111.21 3i1z n PHE 73 Ca 0.10 -0.32 -0.24 0.00 1.01 0.00 0.00 57.45 58.00 3i1z n PHE 73 Cb 0.21 -0.07 -0.07 0.00 -0.01 0.00 0.00 39.48 39.54 3i1z n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i1z n ALA 74 N -0.45 2.56 -1.58 4.37 0.00 -1.23 -4.97 120.51 119.21 3i1z n ALA 74 Ca 0.05 -3.54 -0.51 0.00 0.00 0.00 0.00 53.44 49.43 3i1z n ALA 74 Cb 0.63 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 19.20 3i1z n ALA 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i1z n PRO 75 N 1.20 1.07 -0.09 0.00 -0.04 -1.26 -4.55 135.00 131.32 3i1z n PRO 75 Ca 0.22 0.38 -0.13 0.00 -0.04 0.00 0.00 63.50 63.94 3i1z n PRO 75 Cb 0.53 -1.95 -0.05 0.00 -0.04 0.00 0.00 33.50 31.99 3i1z n PRO 75 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3i1z n THR 76 N 2.01 1.47 -2.67 0.52 -2.24 -1.26 -4.86 114.28 107.26 3i1z n THR 76 Ca 0.17 0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.61 3i1z n THR 76 Cb 0.21 -2.24 -0.03 0.00 -2.10 0.00 0.00 70.33 66.17 3i1z n THR 76 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i1z s ARG 77 N -2.41 4.55 -0.37 -0.78 0.52 -1.26 -5.00 118.95 114.19 3i1z s ARG 77 Ca -0.24 1.48 -0.08 0.00 -0.52 0.00 0.00 55.73 56.37 3i1z s ARG 77 Cb 0.05 -3.44 0.05 0.00 0.52 0.00 0.00 34.95 32.14 3i1z s ARG 77 CO 0.38 -0.07 0.18 0.95 0.02 0.00 0.00 175.30 176.76 3i1z s THR 78 N 0.95 4.01 0.91 0.02 -4.23 -1.26 -5.09 115.64 110.96 3i1z s THR 78 Ca 0.53 -1.23 -0.11 0.00 -1.18 0.00 0.00 61.69 59.69 3i1z s THR 78 Cb -0.22 -3.35 0.20 0.00 1.34 0.00 0.00 72.50 70.46 3i1z s THR 78 CO 0.28 -0.32 1.25 -0.72 -0.54 0.00 0.00 174.62 174.57 3i1z s TYR 79 N 1.42 1.27 0.00 3.99 -0.85 -1.26 -5.31 117.35 116.60 3i1z s TYR 79 Ca 0.01 0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.58 3i1z s TYR 79 Cb -0.21 -3.84 0.00 0.00 0.38 0.00 0.00 41.96 38.29 3i1z s TYR 79 CO 0.03 -2.53 0.00 -2.13 -1.52 0.00 0.00 175.55 169.40