#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1z s ILE 4 N 0.00 2.71 -0.03 0.58 1.09 -1.26 -4.98 121.20 119.31 3i1z s ILE 4 Ca 0.00 -1.98 -0.03 0.00 -1.10 0.00 0.00 60.65 57.54 3i1z s ILE 4 Cb 0.00 -2.82 0.01 0.00 -1.06 0.00 0.00 42.46 38.60 3i1z s ILE 4 CO 0.00 -0.46 0.07 0.54 -0.10 0.00 0.00 174.94 174.99 3i1z n ARG 5 N 4.45 -4.95 -2.79 2.79 1.74 -1.26 -4.57 116.66 112.07 3i1z n ARG 5 Ca -0.04 3.62 -0.42 0.00 -0.77 0.00 0.00 57.85 60.24 3i1z n ARG 5 Cb 0.42 -4.73 -0.03 0.00 -1.02 0.00 0.00 32.46 27.10 3i1z n ARG 5 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3i1z s THR 6 N -0.60 4.69 -0.03 0.55 -4.23 -1.26 -4.69 115.64 110.07 3i1z s THR 6 Ca -0.08 1.57 0.04 0.00 -1.18 0.00 0.00 61.69 62.04 3i1z s THR 6 Cb 0.01 -4.25 -0.01 0.00 1.34 0.00 0.00 72.50 69.58 3i1z s THR 6 CO 0.21 -0.28 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.09 3i1z s LEU 7 N 3.20 1.95 0.00 4.79 1.02 -1.25 -5.03 118.68 123.35 3i1z s LEU 7 Ca 0.39 -0.30 0.00 0.00 0.02 0.00 0.00 54.13 54.24 3i1z s LEU 7 Cb -0.14 -0.84 0.00 0.00 0.02 0.00 0.00 46.19 45.24 3i1z s LEU 7 CO 0.11 0.16 0.00 0.00 0.02 0.00 0.00 176.35 176.64 3i1z n GLN 8 N 2.96 0.00 -1.18 1.70 1.13 -1.26 -2.20 117.38 118.54 3i1z n GLN 8 Ca -0.16 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 54.92 3i1z n GLN 8 Cb 0.54 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.87 3i1z n GLN 8 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i1z n GLY 9 N 3.77 -3.67 0.00 1.08 0.00 -1.26 -4.46 105.19 100.66 3i1z n GLY 9 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3i1z n GLY 9 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i1z n ARG 10 N -2.62 0.00 0.00 1.61 1.85 -1.25 -3.15 116.66 113.11 3i1z n ARG 10 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 3i1z n ARG 10 Cb 0.40 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.81 3i1z n ARG 10 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3i1z n VAL 11 N 0.00 0.00 0.00 8.89 0.31 -1.26 -4.35 118.33 121.92 3i1z n VAL 11 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1z n VAL 11 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i1z n VAL 11 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3i1z n VAL 12 N 0.00 0.00 -3.51 2.52 3.14 -1.20 -3.36 118.33 115.92 3i1z n VAL 12 Ca 0.00 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 3i1z n VAL 12 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 3i1z n VAL 12 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3i1z s SER 13 N 0.00 -0.47 -0.19 6.55 0.15 -1.26 -4.92 113.70 113.56 3i1z s SER 13 Ca 0.00 -0.10 -0.22 0.00 0.70 0.00 0.00 55.95 56.33 3i1z s SER 13 Cb 0.00 0.57 -0.21 0.00 -1.71 0.00 0.00 66.02 64.67 3i1z s SER 13 CO 0.00 -0.95 0.33 -0.78 1.20 0.00 0.00 173.24 173.04 3i1z h ASP 14 N 2.00 0.04 -0.89 5.45 -0.00 -1.92 -3.37 116.42 117.72 3i1z h ASP 14 Ca -0.29 -0.63 -0.24 0.00 -0.00 0.00 0.00 57.03 55.87 3i1z h ASP 14 Cb 1.29 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 40.58 3i1z h ASP 14 CO 0.34 1.43 0.69 -0.75 -0.00 0.00 0.00 179.24 180.95 3i1z s LYS 15 N -2.35 2.13 -0.41 0.28 2.47 -1.26 -4.65 119.74 115.95 3i1z s LYS 15 Ca -0.26 0.40 0.02 0.00 -1.56 0.00 0.00 55.97 54.56 3i1z s LYS 15 Cb 0.04 -4.79 0.26 0.00 -1.46 0.00 0.00 37.83 31.88 3i1z s LYS 15 CO 0.63 -3.69 1.06 0.00 0.16 0.00 0.00 175.35 173.51 3i1z n MET 16 N 8.91 0.44 -0.30 4.03 0.00 -1.26 -5.04 117.12 123.91 3i1z n MET 16 Ca 0.39 -1.20 -0.00 0.00 0.00 0.00 0.00 57.70 56.89 3i1z n MET 16 Cb 0.47 -0.83 -0.00 0.00 0.00 0.00 0.00 33.22 32.86 3i1z n MET 16 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 3i1z n GLU 17 N 1.61 0.00 -3.38 3.17 2.13 -1.26 0.32 120.64 123.23 3i1z n GLU 17 Ca 0.05 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.71 3i1z n GLU 17 Cb 0.67 -0.29 0.09 0.00 0.27 0.00 0.00 31.44 32.18 3i1z n GLU 17 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3i1z n LYS 18 N 1.32 -6.43 -2.72 5.31 5.02 -1.26 -4.97 118.16 114.42 3i1z n LYS 18 Ca 0.01 0.82 -0.04 0.00 -2.02 0.00 0.00 58.31 57.08 3i1z n LYS 18 Cb 0.14 -5.74 0.08 0.00 -0.02 0.00 0.00 35.03 29.48 3i1z n LYS 18 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3i1z n SER 19 N -3.04 0.03 -4.74 4.39 2.88 0.97 -4.37 113.62 109.74 3i1z n SER 19 Ca -0.27 -2.33 -0.41 0.00 -1.33 0.00 0.00 58.87 54.53 3i1z n SER 19 Cb 0.66 0.12 -0.05 0.00 -0.75 0.00 0.00 64.21 64.19 3i1z n SER 19 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 3i1z s ILE 20 N -1.79 4.30 0.16 2.46 1.10 -1.25 -4.79 121.20 121.39 3i1z s ILE 20 Ca 0.21 2.06 0.07 0.00 -0.51 0.00 0.00 60.65 62.48 3i1z s ILE 20 Cb 0.40 -4.31 -0.04 0.00 0.15 0.00 0.00 42.46 38.66 3i1z s ILE 20 CO -0.05 0.39 0.01 0.68 -2.11 0.00 0.00 174.94 173.86 3i1z s VAL 21 N -0.48 3.86 0.20 4.00 -7.23 -1.26 -2.81 120.40 116.68 3i1z s VAL 21 Ca 0.45 -1.30 0.10 0.00 -1.81 0.00 0.00 61.98 59.42 3i1z s VAL 21 Cb -0.25 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.73 3i1z s VAL 21 CO 0.31 -0.06 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.15 3i1z s VAL 22 N -1.64 2.07 -0.67 1.32 1.01 -1.11 -3.25 120.40 118.13 3i1z s VAL 22 Ca 0.27 -2.09 0.05 0.00 0.00 0.00 0.00 61.98 60.22 3i1z s VAL 22 Cb -0.10 -2.03 0.27 0.00 0.00 0.00 0.00 36.38 34.52 3i1z s VAL 22 CO 0.19 -0.32 0.87 0.00 0.00 0.00 0.00 175.10 175.84 3i1z n ALA 23 N 0.01 4.32 -1.62 5.51 0.00 -1.21 -2.54 120.51 124.98 3i1z n ALA 23 Ca -0.11 -4.77 -0.41 0.00 0.00 0.00 0.00 53.44 48.16 3i1z n ALA 23 Cb 0.58 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 3i1z n ALA 23 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i1z s ILE 24 N -2.91 3.04 0.55 0.00 1.01 -1.17 -3.75 121.20 117.96 3i1z s ILE 24 Ca 0.41 0.03 0.05 0.00 0.00 0.00 0.00 60.65 61.14 3i1z s ILE 24 Cb 0.17 -3.06 0.06 0.00 0.01 0.00 0.00 42.46 39.63 3i1z s ILE 24 CO -0.03 -0.05 0.76 -1.61 0.00 0.00 0.00 174.94 174.02 3i1z s GLU 25 N 6.90 2.40 -0.02 2.79 0.41 -1.26 -1.35 118.70 128.58 3i1z s GLU 25 Ca 0.98 -1.20 -0.30 0.00 -0.41 0.00 0.00 54.97 54.04 3i1z s GLU 25 Cb -0.27 -2.58 0.12 0.00 -1.78 0.00 0.00 34.13 29.62 3i1z s GLU 25 CO 0.32 -0.76 1.29 -0.98 -0.49 0.00 0.00 175.26 174.64 3i1z s ARG 26 N -4.69 0.39 -0.01 1.61 1.70 -1.26 -4.96 118.95 111.72 3i1z s ARG 26 Ca 0.60 -0.21 0.06 0.00 -0.47 0.00 0.00 55.73 55.71 3i1z s ARG 26 Cb -0.08 0.13 -0.02 0.00 -0.57 0.00 0.00 34.95 34.41 3i1z s ARG 26 CO 0.38 -0.18 -0.21 -0.06 -1.08 0.00 0.00 175.30 174.16 3i1z s PHE 27 N -2.40 1.86 -0.07 5.89 0.08 -1.26 -2.82 117.98 119.27 3i1z s PHE 27 Ca 0.15 -0.35 -0.05 0.00 0.12 0.00 0.00 56.93 56.79 3i1z s PHE 27 Cb 0.05 -1.19 0.02 0.00 -0.57 0.00 0.00 43.02 41.33 3i1z s PHE 27 CO -0.04 -0.02 0.17 0.14 -0.10 0.00 0.00 175.22 175.37 3i1z s VAL 28 N -0.51 -0.01 -0.09 -0.44 -7.23 -0.59 -4.92 120.40 106.60 3i1z s VAL 28 Ca 0.08 0.05 -0.29 0.00 -1.81 0.00 0.00 61.98 60.01 3i1z s VAL 28 Cb -0.08 -0.26 -0.06 0.00 0.56 0.00 0.00 36.38 36.54 3i1z s VAL 28 CO -0.01 0.02 1.99 -0.75 -0.31 0.00 0.00 175.10 176.04 3i1z s LYS 29 N 0.42 3.74 -0.15 4.82 2.36 -1.26 -1.73 119.74 127.94 3i1z s LYS 29 Ca -0.03 2.25 -0.34 0.00 -2.55 0.00 0.00 55.97 55.30 3i1z s LYS 29 Cb -0.04 -4.21 -0.11 0.00 -1.05 0.00 0.00 37.83 32.42 3i1z s LYS 29 CO -0.02 -1.40 1.95 1.58 1.55 0.00 0.00 175.35 179.01 3i1z n HIS 30 N 9.09 2.18 -0.33 4.03 -0.00 0.40 -4.81 115.22 125.78 3i1z n HIS 30 Ca 0.23 0.06 0.32 0.00 -0.00 0.00 0.00 57.72 58.33 3i1z n HIS 30 Cb 0.43 -2.64 0.68 0.00 -0.00 0.00 0.00 29.99 28.47 3i1z n HIS 30 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3i1z h PRO 31 N 10.04 0.10 0.00 1.57 0.11 -1.89 -1.06 132.00 140.86 3i1z h PRO 31 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i1z h PRO 31 Cb 1.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3i1z h PRO 31 CO 0.96 0.07 -0.40 -0.89 -0.21 0.00 0.00 178.00 177.53 3i1z n ILE 32 N -4.32 0.65 0.16 4.15 -0.00 -1.26 -4.71 119.36 114.03 3i1z n ILE 32 Ca 0.26 0.33 0.05 0.00 -0.00 0.00 0.00 62.75 63.40 3i1z n ILE 32 Cb 1.17 -1.82 0.22 0.00 -0.00 0.00 0.00 39.64 39.21 3i1z n ILE 32 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 3i1z n TYR 33 N -3.32 0.98 0.00 1.39 4.02 -1.22 -4.92 117.16 114.08 3i1z n TYR 33 Ca -0.06 -0.38 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 3i1z n TYR 33 Cb 0.21 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 3i1z n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i1z n GLY 34 N 0.73 1.37 3.70 2.72 0.00 -0.41 -4.92 105.19 108.39 3i1z n GLY 34 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3i1z n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1z n LYS 35 N -0.98 0.82 -3.49 1.61 4.81 -1.26 -3.62 118.16 116.05 3i1z n LYS 35 Ca 0.00 0.34 -0.36 0.00 -0.87 0.00 0.00 58.31 57.42 3i1z n LYS 35 Cb 0.00 -2.46 -0.06 0.00 0.02 0.00 0.00 35.03 32.53 3i1z n LYS 35 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3i1z s PHE 36 N -1.61 3.66 -0.00 5.64 0.08 -1.26 0.15 117.98 124.64 3i1z s PHE 36 Ca 0.79 0.95 -0.06 0.00 0.12 0.00 0.00 56.93 58.74 3i1z s PHE 36 Cb -0.36 -2.27 -0.00 0.00 -0.57 0.00 0.00 43.02 39.82 3i1z s PHE 36 CO 0.44 0.56 0.11 0.42 -0.10 0.00 0.00 175.22 176.65 3i1z s ILE 37 N -1.26 0.08 -0.12 0.64 1.09 -0.70 -4.91 121.20 116.02 3i1z s ILE 37 Ca 0.30 -0.64 -0.30 0.00 -1.10 0.00 0.00 60.65 58.91 3i1z s ILE 37 Cb -0.16 -0.38 -0.02 0.00 -1.06 0.00 0.00 42.46 40.85 3i1z s ILE 37 CO 0.16 -0.35 1.13 -0.54 -0.10 0.00 0.00 174.94 175.24 3i1z s LYS 38 N -1.22 4.34 -0.55 2.79 1.02 -1.26 -1.54 119.74 123.30 3i1z s LYS 38 Ca -0.13 1.54 0.04 0.00 0.02 0.00 0.00 55.97 57.44 3i1z s LYS 38 Cb -0.07 -3.60 0.14 0.00 -0.52 0.00 0.00 37.83 33.78 3i1z s LYS 38 CO 0.01 -0.49 0.32 0.50 -0.92 0.00 0.00 175.35 174.77 3i1z s ARG 39 N 2.54 1.99 0.50 1.68 6.06 -1.13 -5.01 118.95 125.60 3i1z s ARG 39 Ca 0.52 -2.72 -0.22 0.00 -2.50 0.00 0.00 55.73 50.80 3i1z s ARG 39 Cb -0.21 -3.18 -0.06 0.00 0.06 0.00 0.00 34.95 31.56 3i1z s ARG 39 CO 0.17 -1.17 1.26 0.99 -2.50 0.00 0.00 175.30 174.05 3i1z s THR 40 N -0.50 2.61 -0.36 4.11 2.01 -1.26 -4.33 115.64 117.92 3i1z s THR 40 Ca 0.19 0.46 -0.00 0.00 0.31 0.00 0.00 61.69 62.65 3i1z s THR 40 Cb -0.20 -3.23 0.12 0.00 0.01 0.00 0.00 72.50 69.21 3i1z s THR 40 CO -0.05 -0.01 0.18 -0.89 -0.69 0.00 0.00 174.62 173.16 3i1z s THR 41 N -1.44 0.75 0.45 -0.82 2.01 -0.46 -5.02 115.64 111.12 3i1z s THR 41 Ca 0.68 -1.78 -0.21 0.00 0.31 0.00 0.00 61.69 60.68 3i1z s THR 41 Cb -0.34 -1.55 -0.09 0.00 0.01 0.00 0.00 72.50 70.52 3i1z s THR 41 CO 0.41 -0.83 1.02 -0.54 -0.69 0.00 0.00 174.62 173.98 3i1z s LYS 42 N 1.12 3.99 0.01 4.92 1.02 -1.26 -3.06 119.74 126.48 3i1z s LYS 42 Ca 0.14 1.35 -0.00 0.00 0.02 0.00 0.00 55.97 57.48 3i1z s LYS 42 Cb -0.21 -2.24 -0.01 0.00 -0.52 0.00 0.00 37.83 34.86 3i1z s LYS 42 CO -0.11 -0.27 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.53 3i1z s LEU 43 N -3.19 2.08 -1.02 3.17 1.43 -1.05 -4.93 118.68 115.17 3i1z s LEU 43 Ca 0.64 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 53.34 3i1z s LEU 43 Cb -0.16 0.06 0.11 0.00 0.03 0.00 0.00 46.19 46.23 3i1z s LEU 43 CO 0.21 -0.13 1.30 -1.00 0.23 0.00 0.00 176.35 176.96 3i1z s HIS 44 N -0.62 2.99 -0.12 0.29 3.76 -1.26 -2.74 115.29 117.60 3i1z s HIS 44 Ca -0.07 -1.37 -0.12 0.00 -0.15 0.00 0.00 55.06 53.35 3i1z s HIS 44 Cb -0.04 -4.43 -0.05 0.00 1.11 0.00 0.00 32.58 29.17 3i1z s HIS 44 CO -0.00 -1.62 0.26 0.08 -0.85 0.00 0.00 174.74 172.61 3i1z s VAL 45 N 3.24 5.31 0.75 -0.90 1.01 -1.12 -3.51 120.40 125.18 3i1z s VAL 45 Ca 0.39 0.48 -0.15 0.00 0.00 0.00 0.00 61.98 62.71 3i1z s VAL 45 Cb -0.03 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.83 3i1z s VAL 45 CO -0.07 0.50 1.23 -2.28 0.00 0.00 0.00 175.10 174.48 3i1z s HIS 46 N -0.29 1.92 -0.39 5.22 5.65 0.43 -3.90 115.29 123.93 3i1z s HIS 46 Ca 0.17 1.61 0.10 0.00 0.25 0.00 0.00 55.06 57.18 3i1z s HIS 46 Cb -0.13 -3.55 0.30 0.00 -1.18 0.00 0.00 32.58 28.02 3i1z s HIS 46 CO 0.05 -2.85 0.65 -0.25 -0.65 0.00 0.00 174.74 171.70 3i1z n ASP 47 N -2.80 0.31 -4.68 9.88 8.00 -1.26 -4.16 116.55 121.84 3i1z n ASP 47 Ca 0.14 -2.89 -0.36 0.00 0.71 0.00 0.00 54.79 52.38 3i1z n ASP 47 Cb 0.50 -0.47 0.08 0.00 -0.02 0.00 0.00 41.12 41.20 3i1z n ASP 47 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3i1z n GLU 48 N 0.85 0.83 -2.37 -1.24 4.07 -1.26 -3.59 120.64 117.92 3i1z n GLU 48 Ca 0.22 0.34 -0.10 0.00 -0.06 0.00 0.00 57.16 57.56 3i1z n GLU 48 Cb 0.60 -2.39 0.01 0.00 -0.06 0.00 0.00 31.44 29.60 3i1z n GLU 48 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 3i1z n ASN 49 N -1.83 -1.65 -2.04 4.31 2.04 -1.26 -3.06 115.26 111.76 3i1z n ASN 49 Ca 0.15 -0.19 0.00 0.00 -0.44 0.00 0.00 54.58 54.10 3i1z n ASN 49 Cb 0.49 -0.51 0.00 0.00 -2.53 0.00 0.00 39.78 37.22 3i1z n ASN 49 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 3i1z n ASN 50 N 0.05 0.00 -4.82 0.53 6.94 -1.24 -4.82 115.26 111.90 3i1z n ASN 50 Ca -0.07 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.16 3i1z n ASN 50 Cb 0.22 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.58 3i1z n ASN 50 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 3i1z s GLU 51 N -2.57 4.22 0.37 -3.83 1.03 -1.17 -4.94 118.70 111.81 3i1z s GLU 51 Ca 0.00 1.09 0.00 0.00 0.03 0.00 0.00 54.97 56.09 3i1z s GLU 51 Cb 0.00 -2.22 0.00 0.00 -0.80 0.00 0.00 34.13 31.11 3i1z s GLU 51 CO 0.00 -0.01 0.00 0.00 -1.33 0.00 0.00 175.26 173.92 3i1z n GLY 53 N -3.80 3.36 3.68 0.00 0.00 -1.26 -4.95 105.19 102.22 3i1z n GLY 53 Ca -0.06 -1.72 -0.55 0.00 0.00 0.00 0.00 46.02 43.70 3i1z n GLY 53 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i1z n ILE 54 N -0.29 0.26 0.00 -0.61 3.06 -1.26 -1.95 119.36 118.57 3i1z n ILE 54 Ca 0.03 -0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.23 3i1z n ILE 54 Cb 0.28 -1.22 0.00 0.00 0.54 0.00 0.00 39.64 39.24 3i1z n ILE 54 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3i1z n GLY 55 N 3.80 2.94 3.55 4.50 0.00 -1.26 -4.85 105.19 113.87 3i1z n GLY 55 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 3i1z n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i1z n ASP 56 N 0.00 2.37 -4.56 1.61 10.43 -0.82 -4.60 116.55 120.98 3i1z n ASP 56 Ca 0.00 -0.27 -0.21 0.00 2.57 0.00 0.00 54.79 56.88 3i1z n ASP 56 Cb 0.00 -1.52 -0.06 0.00 1.84 0.00 0.00 41.12 41.38 3i1z n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3i1z s VAL 57 N 10.99 3.19 0.58 2.53 1.01 0.02 -4.47 120.40 134.27 3i1z s VAL 57 Ca 1.02 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.94 3i1z s VAL 57 Cb -0.31 -3.44 0.08 0.00 0.00 0.00 0.00 36.38 32.71 3i1z s VAL 57 CO 0.31 -0.42 0.71 0.55 0.00 0.00 0.00 175.10 176.24 3i1z n VAL 58 N 8.33 0.00 -4.22 2.92 3.14 -1.19 -1.23 118.33 126.09 3i1z n VAL 58 Ca 0.43 -2.05 -0.20 0.00 -2.96 0.00 0.00 64.34 59.56 3i1z n VAL 58 Cb 0.46 -0.36 -0.12 0.00 -1.06 0.00 0.00 33.84 32.75 3i1z n VAL 58 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3i1z s GLU 59 N -4.58 0.96 0.11 1.45 2.12 -1.25 -4.28 118.70 113.24 3i1z s GLU 59 Ca 0.54 -1.08 -0.02 0.00 0.36 0.00 0.00 54.97 54.77 3i1z s GLU 59 Cb -0.04 -1.02 -0.04 0.00 0.26 0.00 0.00 34.13 33.29 3i1z s GLU 59 CO 0.34 0.23 0.06 0.42 -0.54 0.00 0.00 175.26 175.76 3i1z s ILE 60 N -1.40 0.13 0.07 -3.70 1.01 -0.93 -1.85 121.20 114.52 3i1z s ILE 60 Ca 0.03 -1.82 0.04 0.00 0.00 0.00 0.00 60.65 58.90 3i1z s ILE 60 Cb -0.09 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 3i1z s ILE 60 CO 0.03 -0.59 -0.12 0.00 0.00 0.00 0.00 174.94 174.26 3i1z s ARG 61 N -4.00 0.74 0.42 2.79 1.70 -1.07 -3.81 118.95 115.72 3i1z s ARG 61 Ca 0.19 -0.93 -0.22 0.00 -0.47 0.00 0.00 55.73 54.30 3i1z s ARG 61 Cb 0.07 -0.65 -0.10 0.00 -0.57 0.00 0.00 34.95 33.71 3i1z s ARG 61 CO -0.02 0.13 0.97 -2.00 -1.08 0.00 0.00 175.30 173.31 3i1z s GLU 62 N -1.83 4.20 0.00 3.89 2.12 -1.26 -2.53 118.70 123.28 3i1z s GLU 62 Ca -0.03 1.23 0.00 0.00 0.36 0.00 0.00 54.97 56.53 3i1z s GLU 62 Cb -0.09 -2.29 0.00 0.00 0.26 0.00 0.00 34.13 32.01 3i1z s GLU 62 CO 0.02 -0.07 0.00 0.00 -0.54 0.00 0.00 175.26 174.66 3i1z s ARG 64 N 0.36 4.02 0.50 0.00 3.03 -1.26 -4.82 118.95 120.77 3i1z s ARG 64 Ca 0.00 1.57 -0.23 0.00 2.03 0.00 0.00 55.73 59.10 3i1z s ARG 64 Cb 0.00 -2.46 -0.06 0.00 -1.03 0.00 0.00 34.95 31.40 3i1z s ARG 64 CO 0.00 -0.28 1.33 -2.14 -1.13 0.00 0.00 175.30 173.08 3i1z s PRO 65 N -2.63 3.43 -0.00 3.89 0.02 -1.26 -4.65 135.00 133.80 3i1z s PRO 65 Ca 0.60 2.17 0.04 0.00 0.02 0.00 0.00 61.00 63.84 3i1z s PRO 65 Cb -0.23 -2.41 -0.05 0.00 0.02 0.00 0.00 34.50 31.83 3i1z s PRO 65 CO 0.29 -0.94 0.13 1.28 -0.33 0.00 0.00 177.00 177.43 3i1z n LEU 66 N -0.66 0.09 0.00 -5.54 4.77 0.15 -4.99 117.00 110.82 3i1z n LEU 66 Ca 0.08 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3i1z n LEU 66 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3i1z n LEU 66 CO 0.53 0.02 0.00 -1.54 -1.33 0.00 0.00 177.39 175.07 3i1z n SER 67 N -1.37 0.00 -4.55 -1.43 3.41 -1.23 -5.06 113.62 103.39 3i1z n SER 67 Ca -0.00 -0.03 -0.35 0.00 -0.26 0.00 0.00 58.87 58.23 3i1z n SER 67 Cb 0.08 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 3i1z n SER 67 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3i1z s LYS 68 N 0.91 2.81 -0.18 4.33 2.20 -1.26 -4.12 119.74 124.43 3i1z s LYS 68 Ca 0.00 -0.02 -0.02 0.00 -0.36 0.00 0.00 55.97 55.57 3i1z s LYS 68 Cb 0.00 -4.69 0.01 0.00 -1.51 0.00 0.00 37.83 31.64 3i1z s LYS 68 CO 0.00 -2.78 0.04 2.41 -0.36 0.00 0.00 175.35 174.65 3i1z n THR 69 N 7.25 -8.70 0.00 3.43 -1.04 -1.26 -5.07 114.28 108.89 3i1z n THR 69 Ca 0.26 1.34 0.00 0.00 -2.04 0.00 0.00 64.05 63.60 3i1z n THR 69 Cb 0.50 -5.80 0.00 0.00 -1.82 0.00 0.00 70.33 63.20 3i1z n THR 69 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3i1z n LYS 70 N 0.60 0.00 -2.78 -2.82 4.81 -1.25 -4.62 118.16 112.11 3i1z n LYS 70 Ca -0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.35 3i1z n LYS 70 Cb 0.10 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.19 3i1z n LYS 70 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3i1z n SER 71 N 0.00 1.41 -3.52 3.14 7.64 -1.23 -0.68 113.62 120.39 3i1z n SER 71 Ca 0.00 -2.25 -0.24 0.00 1.01 0.00 0.00 58.87 57.39 3i1z n SER 71 Cb 0.00 -0.45 -0.14 0.00 -1.01 0.00 0.00 64.21 62.61 3i1z n SER 71 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3i1z s TRP 72 N -3.44 0.03 -0.23 1.43 0.52 -1.26 -1.97 118.94 114.01 3i1z s TRP 72 Ca 0.27 -0.41 -0.14 0.00 0.02 0.00 0.00 56.10 55.83 3i1z s TRP 72 Cb 0.37 -0.67 -0.04 0.00 -1.15 0.00 0.00 33.47 31.98 3i1z s TRP 72 CO -0.02 -0.73 0.31 0.99 0.02 0.00 0.00 176.95 177.52 3i1z s THR 73 N 2.20 5.25 1.06 2.01 2.01 -1.05 0.16 115.64 127.28 3i1z s THR 73 Ca 0.07 0.49 -0.13 0.00 0.31 0.00 0.00 61.69 62.43 3i1z s THR 73 Cb -0.16 -3.64 0.22 0.00 0.01 0.00 0.00 72.50 68.94 3i1z s THR 73 CO -0.25 0.26 1.07 -1.48 -0.69 0.00 0.00 174.62 173.53 3i1z s LEU 74 N 1.42 1.28 0.00 4.42 -0.00 -1.26 -2.58 118.68 121.96 3i1z s LEU 74 Ca 0.14 1.23 0.00 0.00 -0.00 0.00 0.00 54.13 55.50 3i1z s LEU 74 Cb -0.15 -3.30 0.00 0.00 -0.00 0.00 0.00 46.19 42.74 3i1z s LEU 74 CO 0.07 -3.50 0.00 0.52 -0.00 0.00 0.00 176.35 173.44 3i1z n VAL 75 N -4.43 0.00 -3.94 1.48 0.31 -0.77 -4.84 118.33 106.14 3i1z n VAL 75 Ca 0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.31 3i1z n VAL 75 Cb 0.57 -0.59 -0.01 0.00 -0.91 0.00 0.00 33.84 32.89 3i1z n VAL 75 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i1z n ARG 76 N -2.44 1.57 -3.70 5.55 0.63 -1.25 -5.04 116.66 111.97 3i1z n ARG 76 Ca 0.00 -0.80 -0.14 0.00 -0.92 0.00 0.00 57.85 55.98 3i1z n ARG 76 Cb 0.10 0.17 -0.08 0.00 0.45 0.00 0.00 32.46 33.09 3i1z n ARG 76 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3i1z s VAL 77 N -1.10 0.04 -0.12 5.15 1.01 -1.26 -3.80 120.40 120.32 3i1z s VAL 77 Ca 0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 3i1z s VAL 77 Cb -0.00 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.73 3i1z s VAL 77 CO 0.02 -0.16 0.27 -0.69 0.00 0.00 0.00 175.10 174.54 3i1z s VAL 78 N -1.05 -0.11 0.00 2.92 1.01 -0.36 -4.95 120.40 117.87 3i1z s VAL 78 Ca -0.11 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3i1z s VAL 78 Cb -0.04 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.92 3i1z s VAL 78 CO 0.05 0.07 0.00 1.21 0.00 0.00 0.00 175.10 176.43 3i1z n GLU 79 N 4.44 0.00 0.00 2.72 4.07 -1.26 -0.79 120.64 129.81 3i1z n GLU 79 Ca -0.22 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.88 3i1z n GLU 79 Cb 0.53 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.91 3i1z n GLU 79 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3i1z n LYS 80 N -1.75 3.07 -3.72 5.31 4.01 -1.26 -4.37 118.16 119.44 3i1z n LYS 80 Ca 0.00 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.44 3i1z n LYS 80 Cb 0.00 -0.26 -0.10 0.00 -0.51 0.00 0.00 35.03 34.16 3i1z n LYS 80 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i1z s ALA 81 N 0.00 3.51 0.00 7.82 0.00 -1.26 -4.86 121.76 126.97 3i1z s ALA 81 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3i1z s ALA 81 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.88 3i1z s ALA 81 CO 0.00 -0.21 0.45 1.55 0.00 0.00 0.00 175.76 177.55