#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tz0 n TYR 3 N 0.00 0.00 -3.57 1.61 4.01 -1.26 -5.01 117.16 112.95 1tz0 n TYR 3 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 1tz0 n TYR 3 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 38.98 1tz0 n TYR 3 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1tz0 s PHE 5 N 0.00 -0.82 -0.10 -0.72 5.36 -0.35 -4.37 117.98 116.98 1tz0 s PHE 5 Ca 0.00 1.52 0.03 0.00 -0.96 0.00 0.00 56.93 57.52 1tz0 s PHE 5 Cb 0.00 0.49 -0.01 0.00 -0.34 0.00 0.00 43.02 43.16 1tz0 s PHE 5 CO 0.00 -0.41 -0.19 0.42 -1.46 0.00 0.00 175.22 173.58 1tz0 s ILE 6 N 2.02 2.51 -0.11 3.12 1.01 -0.03 -0.79 121.20 128.93 1tz0 s ILE 6 Ca -0.07 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 1tz0 s ILE 6 Cb -0.06 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1tz0 s ILE 6 CO -0.17 0.55 0.04 -0.70 0.00 0.00 0.00 174.94 174.66 1tz0 s GLU 7 N 0.16 3.25 0.03 2.79 2.12 0.39 -0.90 118.70 126.54 1tz0 s GLU 7 Ca -0.11 -0.33 0.07 0.00 0.36 0.00 0.00 54.97 54.97 1tz0 s GLU 7 Cb -0.16 -2.95 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 1tz0 s GLU 7 CO 0.06 0.65 -0.22 0.95 -0.54 0.00 0.00 175.26 176.16 1tz0 s THR 8 N -0.72 1.76 -0.16 -1.70 -4.23 -0.17 -0.74 115.64 109.68 1tz0 s THR 8 Ca 0.12 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 1tz0 s THR 8 Cb -0.12 -1.50 0.02 0.00 1.34 0.00 0.00 72.50 72.24 1tz0 s THR 8 CO 0.02 0.31 -0.18 -0.54 -0.54 0.00 0.00 174.62 173.69 1tz0 s LYS 9 N -1.00 2.75 -0.30 3.99 1.02 -0.23 -1.89 119.74 124.08 1tz0 s LYS 9 Ca 0.08 -0.74 -0.05 0.00 0.02 0.00 0.00 55.97 55.29 1tz0 s LYS 9 Cb -0.09 -2.37 0.03 0.00 -0.52 0.00 0.00 37.83 34.88 1tz0 s LYS 9 CO 0.01 -0.17 0.04 0.99 -0.92 0.00 0.00 175.35 175.31 1tz0 s THR 10 N 1.23 3.51 -0.24 2.17 2.01 -0.27 -0.14 115.64 123.91 1tz0 s THR 10 Ca 0.02 -1.03 -0.09 0.00 0.31 0.00 0.00 61.69 60.90 1tz0 s THR 10 Cb -0.14 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1tz0 s THR 10 CO -0.09 -0.01 0.12 -0.36 -0.69 0.00 0.00 174.62 173.58 1tz0 s PHE 11 N 1.39 3.21 -0.27 4.92 0.08 0.14 -1.49 117.98 125.96 1tz0 s PHE 11 Ca -0.01 -0.03 -0.10 0.00 0.12 0.00 0.00 56.93 56.91 1tz0 s PHE 11 Cb -0.18 -2.24 -0.05 0.00 -0.57 0.00 0.00 43.02 39.98 1tz0 s PHE 11 CO 0.01 -0.09 0.17 0.99 -0.10 0.00 0.00 175.22 176.19 1tz0 s THR 12 N 1.22 5.16 0.27 0.64 2.01 -0.27 -0.69 115.64 123.98 1tz0 s THR 12 Ca 0.06 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.22 1tz0 s THR 12 Cb -0.14 -3.44 -0.06 0.00 0.01 0.00 0.00 72.50 68.87 1tz0 s THR 12 CO 0.05 0.28 0.00 0.68 -0.69 0.00 0.00 174.62 174.94 1tz0 s VAL 13 N 1.61 1.23 0.47 3.82 -7.23 -0.47 -0.58 120.40 119.25 1tz0 s VAL 13 Ca 0.07 -2.05 -0.23 0.00 -1.81 0.00 0.00 61.98 57.96 1tz0 s VAL 13 Cb -0.15 -2.50 -0.07 0.00 0.56 0.00 0.00 36.38 34.21 1tz0 s VAL 13 CO 0.09 -0.22 1.24 -0.54 -0.31 0.00 0.00 175.10 175.35 1tz0 s LYS 14 N -3.84 3.66 0.52 4.82 1.02 -0.29 -1.45 119.74 124.18 1tz0 s LYS 14 Ca 0.31 1.96 -0.22 0.00 0.02 0.00 0.00 55.97 58.04 1tz0 s LYS 14 Cb 0.06 -2.45 -0.07 0.00 -0.52 0.00 0.00 37.83 34.85 1tz0 s LYS 14 CO 0.12 -0.68 1.15 -0.85 -0.92 0.00 0.00 175.35 174.16 1tz0 n GLU 15 N -0.47 1.41 -0.28 1.68 0.28 -1.26 -1.92 120.64 120.08 1tz0 n GLU 15 Ca 0.07 0.52 0.00 0.00 -0.16 0.00 0.00 57.16 57.59 1tz0 n GLU 15 Cb 0.46 -2.31 0.00 0.00 1.43 0.00 0.00 31.44 31.02 1tz0 n GLU 15 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1tz0 n GLY 16 N 1.02 2.09 0.69 -1.84 0.00 -1.26 -4.89 105.19 101.00 1tz0 n GLY 16 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1tz0 n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tz0 n THR 17 N -2.00 1.52 0.26 2.61 -2.24 -0.81 -4.62 114.28 109.00 1tz0 n THR 17 Ca 0.00 -1.37 0.10 0.00 -2.27 0.00 0.00 64.05 60.51 1tz0 n THR 17 Cb 0.00 0.19 0.69 0.00 -2.10 0.00 0.00 70.33 69.11 1tz0 n THR 17 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1tz0 h SER 18 N 1.79 0.00 0.45 3.42 4.64 -1.90 -2.34 113.55 119.61 1tz0 h SER 18 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1tz0 h SER 18 Cb 1.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1tz0 h SER 18 CO 0.09 0.08 -0.18 -1.13 -0.87 0.00 0.00 176.83 174.82 1tz0 h ASN 19 N 0.00 0.00 -0.71 4.97 -1.24 -1.98 -2.31 115.58 114.31 1tz0 h ASN 19 Ca -0.00 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.03 1tz0 h ASN 19 Cb 0.17 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.18 1tz0 h ASN 19 CO 0.01 0.18 0.45 0.40 -1.29 0.00 0.00 177.43 177.18 1tz0 h ILE 20 N 0.00 1.12 -0.24 2.57 1.08 -1.78 0.28 117.51 120.54 1tz0 h ILE 20 Ca -0.00 -0.31 -0.08 0.00 -0.39 0.00 0.00 64.86 64.08 1tz0 h ILE 20 Cb 0.45 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.34 1tz0 h ILE 20 CO 0.02 0.16 -0.15 0.58 -0.69 0.00 0.00 178.15 178.07 1tz0 h VAL 21 N 0.90 1.31 -0.42 1.67 2.07 -1.63 -2.28 116.25 117.87 1tz0 h VAL 21 Ca 0.28 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.58 1tz0 h VAL 21 Cb -0.02 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1tz0 h VAL 21 CO -0.09 0.39 0.18 0.58 0.02 0.00 0.00 177.57 178.65 1tz0 h VAL 22 N 0.23 0.92 -0.39 2.57 2.07 -0.99 -2.49 116.25 118.18 1tz0 h VAL 22 Ca 0.05 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.35 1tz0 h VAL 22 Cb 0.67 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1tz0 h VAL 22 CO 0.04 0.07 -0.15 -0.08 0.02 0.00 0.00 177.57 177.47 1tz0 h GLU 23 N 0.37 0.72 -0.12 1.57 4.81 -0.47 -2.33 114.58 119.13 1tz0 h GLU 23 Ca 0.19 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1tz0 h GLU 23 Cb 0.14 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1tz0 h GLU 23 CO -0.16 0.83 0.05 -0.09 -0.73 0.00 0.00 179.01 178.91 1tz0 h ARG 24 N 0.64 0.16 -0.28 1.92 2.43 -0.97 -2.77 114.38 115.50 1tz0 h ARG 24 Ca 0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1tz0 h ARG 24 Cb 0.62 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1tz0 h ARG 24 CO 0.04 0.13 0.00 1.19 -1.51 0.00 0.00 179.97 179.83 1tz0 n PHE 25 N -4.49 0.81 -4.27 2.20 3.72 -1.02 -4.94 117.46 109.47 1tz0 n PHE 25 Ca -0.01 -0.77 -0.35 0.00 -0.05 0.00 0.00 57.45 56.27 1tz0 n PHE 25 Cb 0.11 -0.23 -0.09 0.00 -0.94 0.00 0.00 39.48 38.32 1tz0 n PHE 25 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1tz0 s THR 26 N -2.31 4.48 0.00 4.37 2.01 -0.91 -4.98 115.64 118.30 1tz0 s THR 26 Ca 0.37 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1tz0 s THR 26 Cb 0.28 -2.92 0.00 0.00 0.01 0.00 0.00 72.50 69.87 1tz0 s THR 26 CO 0.11 0.58 0.00 0.61 -0.69 0.00 0.00 174.62 175.23 1tz0 n GLY 27 N 2.41 1.96 3.75 4.40 0.00 -1.26 -4.96 105.19 111.49 1tz0 n GLY 27 Ca -0.18 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.33 1tz0 n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tz0 s GLU 28 N -1.94 4.42 0.00 1.61 2.02 -1.26 -4.99 118.70 118.56 1tz0 s GLU 28 Ca 0.00 2.05 0.00 0.00 0.02 0.00 0.00 54.97 57.04 1tz0 s GLU 28 Cb 0.00 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1tz0 s GLU 28 CO 0.00 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.53 1tz0 n GLY 29 N 1.79 4.53 0.10 -1.39 0.00 -1.26 -5.08 105.19 103.89 1tz0 n GLY 29 Ca 0.03 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 1tz0 n GLY 29 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1tz0 n ILE 30 N 0.00 1.42 -0.35 -0.61 0.13 -1.26 -4.49 119.36 114.20 1tz0 n ILE 30 Ca 0.00 -0.81 0.09 0.00 -1.10 0.00 0.00 62.75 60.93 1tz0 n ILE 30 Cb 0.00 -0.66 0.26 0.00 -0.84 0.00 0.00 39.64 38.40 1tz0 n ILE 30 CO 0.00 0.00 0.00 -0.29 2.80 0.00 0.00 176.55 179.06 1tz0 h ILE 31 N 0.00 0.84 0.00 9.51 2.10 -1.98 -0.80 117.51 127.17 1tz0 h ILE 31 Ca -0.54 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.10 1tz0 h ILE 31 Cb 2.18 -0.12 0.00 0.00 -1.09 0.00 0.00 36.82 37.78 1tz0 h ILE 31 CO 0.01 0.16 0.00 -1.84 -1.08 0.00 0.00 178.15 175.41 1tz0 n GLU 32 N -4.69 0.39 -0.09 2.19 0.00 -1.26 -1.87 120.64 115.31 1tz0 n GLU 32 Ca 0.20 0.06 0.10 0.00 0.00 0.00 0.00 57.16 57.52 1tz0 n GLU 32 Cb 0.42 -1.50 0.14 0.00 0.00 0.00 0.00 31.44 30.50 1tz0 n GLU 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1tz0 n LYS 33 N -1.24 2.07 -2.71 3.44 5.02 -0.31 -4.91 118.16 119.52 1tz0 n LYS 33 Ca 0.12 -1.93 -0.40 0.00 -2.02 0.00 0.00 58.31 54.08 1tz0 n LYS 33 Cb 0.16 -1.41 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 1tz0 n LYS 33 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1tz0 s PHE 34 N -1.49 3.91 0.32 2.13 0.40 -0.78 -4.99 117.98 117.48 1tz0 s PHE 34 Ca 0.29 1.87 -0.29 0.00 -0.60 0.00 0.00 56.93 58.19 1tz0 s PHE 34 Cb 0.18 -3.03 -0.12 0.00 0.51 0.00 0.00 43.02 40.56 1tz0 s PHE 34 CO 0.26 0.28 1.51 -1.91 0.70 0.00 0.00 175.22 176.07 1tz0 n GLU 35 N 1.67 2.58 -0.22 0.44 4.07 -1.26 -2.02 120.64 125.91 1tz0 n GLU 35 Ca -0.01 0.91 0.00 0.00 -0.06 0.00 0.00 57.16 58.00 1tz0 n GLU 35 Cb 0.47 -2.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.20 1tz0 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1tz0 n GLY 36 N 1.46 1.77 3.73 8.31 0.00 -1.26 -4.81 105.19 114.39 1tz0 n GLY 36 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1tz0 n GLY 36 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1tz0 s PHE 37 N -2.94 3.06 -0.09 1.61 5.36 -0.85 -0.21 117.98 123.91 1tz0 s PHE 37 Ca 0.00 0.89 -0.09 0.00 -0.96 0.00 0.00 56.93 56.77 1tz0 s PHE 37 Cb 0.00 -3.84 -0.03 0.00 -0.34 0.00 0.00 43.02 38.81 1tz0 s PHE 37 CO 0.00 -2.88 -0.18 -0.89 -1.46 0.00 0.00 175.22 169.82 1tz0 n ILE 38 N 3.03 0.79 -3.76 3.12 5.41 0.33 -4.85 119.36 123.43 1tz0 n ILE 38 Ca 0.10 0.31 -0.07 0.00 1.00 0.00 0.00 62.75 64.09 1tz0 n ILE 38 Cb 0.40 -1.95 -0.02 0.00 -0.71 0.00 0.00 39.64 37.36 1tz0 n ILE 38 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1tz0 s ASP 39 N -4.98 -0.29 -0.05 4.38 1.47 -1.12 -5.00 116.67 111.08 1tz0 s ASP 39 Ca -0.15 -0.45 0.03 0.00 1.18 0.00 0.00 52.55 53.17 1tz0 s ASP 39 Cb 0.02 0.64 0.01 0.00 -0.34 0.00 0.00 42.92 43.24 1tz0 s ASP 39 CO 0.22 -1.15 -0.13 -0.22 0.68 0.00 0.00 175.17 174.57 1tz0 s LEU 40 N -2.88 1.75 -0.01 2.11 0.20 -1.26 -1.16 118.68 117.43 1tz0 s LEU 40 Ca 0.10 -0.28 0.03 0.00 0.69 0.00 0.00 54.13 54.67 1tz0 s LEU 40 Cb -0.04 -0.79 -0.01 0.00 -0.43 0.00 0.00 46.19 44.92 1tz0 s LEU 40 CO 0.02 0.07 -0.11 -0.44 -0.29 0.00 0.00 176.35 175.61 1tz0 s SER 41 N 0.38 1.28 -0.27 3.68 0.01 -1.26 -5.02 113.70 112.50 1tz0 s SER 41 Ca -0.09 -0.20 -0.06 0.00 1.31 0.00 0.00 55.95 56.91 1tz0 s SER 41 Cb -0.13 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 65.97 1tz0 s SER 41 CO 0.02 0.13 0.04 -0.69 0.41 0.00 0.00 173.24 173.15 1tz0 s VAL 42 N -0.27 3.72 -0.23 3.43 1.01 -1.26 -4.38 120.40 122.41 1tz0 s VAL 42 Ca 0.04 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 1tz0 s VAL 42 Cb -0.04 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1tz0 s VAL 42 CO -0.00 0.17 0.02 -0.76 0.00 0.00 0.00 175.10 174.53 1tz0 s LEU 43 N 1.48 3.21 -0.27 3.92 1.02 0.27 -4.98 118.68 123.33 1tz0 s LEU 43 Ca 0.03 -0.28 -0.06 0.00 0.02 0.00 0.00 54.13 53.84 1tz0 s LEU 43 Cb -0.16 -1.84 -0.00 0.00 0.02 0.00 0.00 46.19 44.20 1tz0 s LEU 43 CO 0.01 -0.02 0.05 -0.69 0.02 0.00 0.00 176.35 175.71 1tz0 s VAL 44 N 1.52 3.91 0.25 -1.59 1.01 -1.26 -1.15 120.40 123.09 1tz0 s VAL 44 Ca 0.06 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1tz0 s VAL 44 Cb -0.15 -2.93 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 1tz0 s VAL 44 CO 0.01 0.21 1.36 -0.75 0.00 0.00 0.00 175.10 175.93 1tz0 s LYS 45 N 1.52 4.33 -0.50 2.72 2.20 -0.24 -4.96 119.74 124.81 1tz0 s LYS 45 Ca 0.04 2.20 -0.28 0.00 -0.36 0.00 0.00 55.97 57.56 1tz0 s LYS 45 Cb -0.16 -3.13 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1tz0 s LYS 45 CO 0.01 -0.30 1.42 0.21 -0.36 0.00 0.00 175.35 176.33 1tz0 s LYS 46 N -0.67 3.41 0.08 4.03 2.20 -1.26 -4.73 119.74 122.80 1tz0 s LYS 46 Ca 0.56 0.65 0.10 0.00 -0.36 0.00 0.00 55.97 56.92 1tz0 s LYS 46 Cb -0.40 -4.08 -0.03 0.00 -1.51 0.00 0.00 37.83 31.81 1tz0 s LYS 46 CO 0.44 -1.79 -0.26 0.14 -0.36 0.00 0.00 175.35 173.52 1tz0 s VAL 47 N 5.83 2.14 -0.01 4.02 -7.23 -1.26 -5.08 120.40 118.81 1tz0 s VAL 47 Ca 0.56 -1.51 -0.07 0.00 -1.81 0.00 0.00 61.98 59.15 1tz0 s VAL 47 Cb -0.12 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 1tz0 s VAL 47 CO 0.28 0.25 0.54 -0.09 -0.31 0.00 0.00 175.10 175.77 1tz0 h ARG 48 N 4.45 -0.25 -4.18 4.82 2.43 -1.96 -3.48 114.38 116.21 1tz0 h ARG 48 Ca -0.48 0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.55 1tz0 h ARG 48 Cb 1.15 0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 30.63 1tz0 h ARG 48 CO 0.42 -0.16 -0.46 -0.98 -1.51 0.00 0.00 179.97 177.28 1tz0 s ARG 49 N -2.56 1.17 0.77 0.20 1.70 -1.26 -5.14 118.95 113.83 1tz0 s ARG 49 Ca -0.04 -1.38 0.00 0.00 -0.47 0.00 0.00 55.73 53.84 1tz0 s ARG 49 Cb 0.00 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1tz0 s ARG 49 CO 0.11 -0.41 0.00 0.41 -1.08 0.00 0.00 175.30 174.33 1tz0 n GLY 50 N -0.23 -1.68 3.55 3.88 0.00 -1.26 -4.95 105.19 104.51 1tz0 n GLY 50 Ca -0.03 -1.74 -0.48 0.00 0.00 0.00 0.00 46.02 43.77 1tz0 n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tz0 n ASP 51 N 0.02 0.91 -4.92 1.61 8.00 -1.26 -4.25 116.55 116.65 1tz0 n ASP 51 Ca 0.00 1.15 -0.20 0.00 0.71 0.00 0.00 54.79 56.45 1tz0 n ASP 51 Cb 0.00 -1.18 -0.02 0.00 -0.02 0.00 0.00 41.12 39.90 1tz0 n ASP 51 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1tz0 s GLU 52 N -0.77 2.82 -0.08 -1.24 2.02 -0.53 -4.91 118.70 116.02 1tz0 s GLU 52 Ca 0.69 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 54.43 1tz0 s GLU 52 Cb -0.84 -2.60 0.02 0.00 0.10 0.00 0.00 34.13 30.81 1tz0 s GLU 52 CO 0.55 -0.01 -0.06 -2.00 0.02 0.00 0.00 175.26 173.76 1tz0 s GLU 53 N -4.12 1.13 -0.14 1.61 2.12 -1.26 -1.37 118.70 116.67 1tz0 s GLU 53 Ca 0.45 -0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.65 1tz0 s GLU 53 Cb -0.07 -1.19 0.01 0.00 0.26 0.00 0.00 34.13 33.13 1tz0 s GLU 53 CO 0.29 -0.17 -0.20 0.08 -0.54 0.00 0.00 175.26 174.72 1tz0 s VAL 54 N 1.38 2.26 -0.22 3.70 1.01 0.14 -1.07 120.40 127.59 1tz0 s VAL 54 Ca -0.03 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 1tz0 s VAL 54 Cb -0.14 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1tz0 s VAL 54 CO -0.03 0.54 0.02 -0.69 0.00 0.00 0.00 175.10 174.94 1tz0 s VAL 55 N 0.77 4.00 0.67 2.92 1.01 -0.30 0.28 120.40 129.75 1tz0 s VAL 55 Ca -0.08 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1tz0 s VAL 55 Cb -0.16 -2.83 0.12 0.00 0.00 0.00 0.00 36.38 33.51 1tz0 s VAL 55 CO -0.00 0.40 0.92 -0.69 0.00 0.00 0.00 175.10 175.73 1tz0 s VAL 56 N 1.26 2.11 0.00 2.92 1.01 0.80 -0.56 120.40 127.94 1tz0 s VAL 56 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1tz0 s VAL 56 Cb -0.15 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1tz0 s VAL 56 CO 0.02 0.00 0.00 -0.38 0.00 0.00 0.00 175.10 174.74 1tz0 n ILE 58 N -2.62 0.00 -4.28 2.22 -0.00 0.08 -1.07 119.36 113.69 1tz0 n ILE 58 Ca 0.16 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.56 1tz0 n ILE 58 Cb 0.61 0.00 -0.10 0.00 -0.00 0.00 0.00 39.64 40.15 1tz0 n ILE 58 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 1tz0 s ARG 59 N 0.00 3.41 0.07 0.38 0.52 -0.31 -0.46 118.95 122.56 1tz0 s ARG 59 Ca 0.00 -0.41 0.05 0.00 -0.52 0.00 0.00 55.73 54.85 1tz0 s ARG 59 Cb 0.00 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.51 1tz0 s ARG 59 CO 0.00 0.49 -0.15 -1.58 0.02 0.00 0.00 175.30 174.08 1tz0 s TRP 60 N -0.28 1.29 0.43 -0.53 0.52 0.03 -0.52 118.94 119.88 1tz0 s TRP 60 Ca 0.06 -0.44 0.27 0.00 0.02 0.00 0.00 56.10 56.02 1tz0 s TRP 60 Cb -0.12 -0.73 1.46 0.00 -1.15 0.00 0.00 33.47 32.93 1tz0 s TRP 60 CO 0.02 0.07 2.09 0.93 0.02 0.00 0.00 176.95 180.08 1tz0 h GLU 61 N 4.39 0.00 -2.99 4.98 5.08 -0.87 -0.92 114.58 124.25 1tz0 h GLU 61 Ca -0.41 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1tz0 h GLU 61 Cb 1.19 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.34 1tz0 h GLU 61 CO 0.41 0.11 0.22 -1.54 -1.00 0.00 0.00 179.01 177.21 1tz0 s SER 62 N -6.21 -0.47 0.32 1.42 1.04 -1.26 -4.49 113.70 104.04 1tz0 s SER 62 Ca -0.03 -0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.25 1tz0 s SER 62 Cb 0.13 0.64 0.53 0.00 0.10 0.00 0.00 66.02 67.42 1tz0 s SER 62 CO 0.59 -1.08 1.81 -0.08 0.98 0.00 0.00 173.24 175.46 1tz0 h GLU 63 N 2.00 0.49 -0.68 4.02 4.81 -1.88 -2.60 114.58 120.74 1tz0 h GLU 63 Ca -0.29 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1tz0 h GLU 63 Cb 1.29 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 1tz0 h GLU 63 CO 0.33 0.60 0.37 0.93 -0.73 0.00 0.00 179.01 180.51 1tz0 h GLU 64 N 0.45 0.94 -0.07 1.92 3.07 -1.98 -0.25 114.58 118.67 1tz0 h GLU 64 Ca 0.09 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1tz0 h GLU 64 Cb 0.47 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1tz0 h GLU 64 CO 0.03 0.71 0.04 0.00 -1.40 0.00 0.00 179.01 178.39 1tz0 h ALA 65 N 1.18 0.09 -1.01 3.43 0.00 -1.83 -2.30 119.26 118.83 1tz0 h ALA 65 Ca 0.24 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1tz0 h ALA 65 Cb 0.05 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1tz0 h ALA 65 CO -0.04 -0.36 0.65 2.35 0.00 0.00 0.00 179.25 181.85 1tz0 h TRP 66 N 0.01 1.19 -0.50 0.00 7.01 -1.27 -2.93 115.95 119.47 1tz0 h TRP 66 Ca 0.02 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.96 1tz0 h TRP 66 Cb 0.09 -0.39 -0.02 0.00 -2.10 0.00 0.00 29.16 26.75 1tz0 h TRP 66 CO -0.04 0.58 -0.09 -0.22 -2.79 0.00 0.00 178.44 175.88 1tz0 h LYS 67 N 1.14 0.90 -0.85 2.65 1.63 -0.74 0.15 116.57 121.46 1tz0 h LYS 67 Ca 0.45 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1tz0 h LYS 67 Cb 0.25 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.77 1tz0 h LYS 67 CO -0.20 0.95 0.55 -0.91 -3.45 0.00 0.00 179.45 176.40 1tz0 h ASN 68 N 0.82 0.99 -0.02 4.20 -0.26 -1.26 -1.95 115.58 118.10 1tz0 h ASN 68 Ca 0.14 -0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 1tz0 h ASN 68 Cb 0.61 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1tz0 h ASN 68 CO 0.04 0.73 -0.06 -0.25 -1.06 0.00 0.00 177.43 176.83 1tz0 h TRP 69 N 1.16 0.09 -0.88 1.19 2.91 -1.20 -3.12 115.95 116.09 1tz0 h TRP 69 Ca 0.31 -0.04 0.11 0.00 1.13 0.00 0.00 58.89 60.40 1tz0 h TRP 69 Cb -0.11 -0.01 -0.07 0.00 -0.51 0.00 0.00 29.16 28.46 1tz0 h TRP 69 CO 0.00 0.69 0.57 1.49 -1.03 0.00 0.00 178.44 180.16 1tz0 h GLU 70 N -0.54 0.81 -0.02 2.65 4.57 -0.34 -0.95 114.58 120.76 1tz0 h GLU 70 Ca -0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1tz0 h GLU 70 Cb 0.69 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1tz0 h GLU 70 CO 0.01 0.53 -0.13 0.25 -1.18 0.00 0.00 179.01 178.50 1tz0 n THR 71 N -4.54 0.00 -2.14 0.32 -2.24 -0.77 -4.79 114.28 100.13 1tz0 n THR 71 Ca 0.16 -0.29 -0.35 0.00 -2.27 0.00 0.00 64.05 61.29 1tz0 n THR 71 Cb 0.34 0.87 0.02 0.00 -2.10 0.00 0.00 70.33 69.46 1tz0 n THR 71 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1tz0 s SER 72 N -2.18 5.49 0.35 3.42 1.04 -0.36 -4.94 113.70 116.53 1tz0 s SER 72 Ca 0.29 2.23 0.14 0.00 0.48 0.00 0.00 55.95 59.09 1tz0 s SER 72 Cb 0.20 -2.58 0.65 0.00 0.10 0.00 0.00 66.02 64.39 1tz0 s SER 72 CO 0.40 -1.38 1.77 -0.33 0.98 0.00 0.00 173.24 174.68 1tz0 h GLU 73 N 0.99 0.00 -0.09 4.02 3.07 -1.91 -1.59 114.58 119.07 1tz0 h GLU 73 Ca -0.50 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.37 1tz0 h GLU 73 Cb 1.27 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.17 1tz0 h GLU 73 CO 0.56 0.43 0.00 0.93 -1.40 0.00 0.00 179.01 179.53 1tz0 h GLU 74 N 0.00 0.03 -0.19 2.33 3.07 -1.92 0.27 114.58 118.18 1tz0 h GLU 74 Ca -0.00 -0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.74 1tz0 h GLU 74 Cb 0.80 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 1tz0 h GLU 74 CO 0.06 0.02 -0.37 1.25 -1.40 0.00 0.00 179.01 178.57 1tz0 h HIS 75 N 0.03 0.47 0.11 4.33 2.76 -1.72 -2.53 115.15 118.60 1tz0 h HIS 75 Ca 0.04 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.08 1tz0 h HIS 75 Cb 0.04 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 28.90 1tz0 h HIS 75 CO -0.12 0.72 -0.05 1.25 -1.30 0.00 0.00 177.93 178.43 1tz0 h LEU 76 N 0.34 -0.13 -0.47 0.26 5.85 -1.01 -3.15 115.31 117.00 1tz0 h LEU 76 Ca 0.04 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.61 1tz0 h LEU 76 Cb 0.81 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.78 1tz0 h LEU 76 CO 0.06 0.18 -0.17 0.00 -0.34 0.00 0.00 178.44 178.17 1tz0 h ALA 77 N 0.40 0.22 -3.62 1.25 0.00 -0.42 -3.51 119.26 113.58 1tz0 h ALA 77 Ca -0.02 0.18 -0.68 0.00 0.00 0.00 0.00 54.91 54.39 1tz0 h ALA 77 Cb 0.36 0.45 -0.18 0.00 0.00 0.00 0.00 17.79 18.42 1tz0 h ALA 77 CO 0.03 -0.50 -0.69 0.20 0.00 0.00 0.00 179.25 178.29 1tz0 s GLY 78 N -3.17 1.72 0.00 0.00 0.00 -0.96 -5.10 107.32 99.81 1tz0 s GLY 78 Ca -0.14 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1tz0 s GLY 78 CO 0.71 -0.68 0.00 -1.55 0.00 0.00 0.00 173.10 171.58 1tz0 n PRO 88 N 2.14 0.00 0.08 2.90 -0.04 -1.26 -4.93 135.00 133.89 1tz0 n PRO 88 Ca -0.18 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.23 1tz0 n PRO 88 Cb 0.53 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.08 1tz0 n PRO 88 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1tz0 h ASP 89 N 0.00 0.26 1.29 3.54 3.32 -2.05 -3.22 116.42 119.57 1tz0 h ASP 89 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1tz0 h ASP 89 Cb 0.00 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1tz0 h ASP 89 CO 0.00 0.85 -0.34 1.12 -1.72 0.00 0.00 179.24 179.15 1tz0 h HIS 90 N 0.16 0.00 -3.58 4.55 2.07 -1.98 -3.46 115.15 112.91 1tz0 h HIS 90 Ca -0.01 0.00 -0.63 0.00 -2.85 0.00 0.00 60.37 56.87 1tz0 h HIS 90 Cb 1.19 0.00 -0.13 0.00 2.57 0.00 0.00 27.41 31.03 1tz0 h HIS 90 CO 0.02 0.00 0.22 0.42 -3.07 0.00 0.00 177.93 175.52 1tz0 s ILE 91 N -3.17 4.80 -0.12 6.12 1.01 -1.22 -1.14 121.20 127.47 1tz0 s ILE 91 Ca 0.07 0.46 -0.28 0.00 0.00 0.00 0.00 60.65 60.90 1tz0 s ILE 91 Cb 0.11 -4.19 -0.27 0.00 0.01 0.00 0.00 42.46 38.13 1tz0 s ILE 91 CO 0.68 -0.50 0.80 0.40 0.00 0.00 0.00 174.94 176.32 1tz0 h ILE 92 N 5.81 1.74 -2.79 2.92 2.04 -1.16 -3.48 117.51 122.59 1tz0 h ILE 92 Ca -0.25 -2.36 -0.10 0.00 1.00 0.00 0.00 64.86 63.14 1tz0 h ILE 92 Cb 1.10 3.34 -0.20 0.00 -0.74 0.00 0.00 36.82 40.32 1tz0 h ILE 92 CO 0.89 0.62 -0.17 0.21 0.00 0.00 0.00 178.15 179.70 1tz0 s ASN 93 N -6.34 -0.31 -0.06 1.72 3.84 -1.04 -5.00 114.94 107.75 1tz0 s ASN 93 Ca -0.18 0.26 0.03 0.00 0.21 0.00 0.00 52.86 53.17 1tz0 s ASN 93 Cb -0.02 0.39 0.01 0.00 -0.55 0.00 0.00 41.25 41.07 1tz0 s ASN 93 CO 0.71 -0.47 -0.12 -0.69 -2.79 0.00 0.00 177.10 173.74 1tz0 s VAL 94 N -1.23 1.14 0.22 -5.21 1.01 -1.26 -1.12 120.40 113.95 1tz0 s VAL 94 Ca -0.12 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.46 1tz0 s VAL 94 Cb -0.04 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1tz0 s VAL 94 CO 0.05 0.35 -0.13 -1.81 0.00 0.00 0.00 175.10 173.57 1tz0 s ASP 95 N 0.54 4.01 0.04 3.32 1.01 -0.56 -4.97 116.67 120.06 1tz0 s ASP 95 Ca -0.12 -0.75 0.02 0.00 0.71 0.00 0.00 52.55 52.41 1tz0 s ASP 95 Cb -0.15 -0.56 -0.02 0.00 1.01 0.00 0.00 42.92 43.20 1tz0 s ASP 95 CO 0.03 0.07 -0.08 -1.38 0.21 0.00 0.00 175.17 174.02 1tz0 s HIS 96 N -2.02 0.70 0.01 4.23 -3.43 -1.26 -1.11 115.29 112.42 1tz0 s HIS 96 Ca 0.27 -0.49 -0.20 0.00 -0.80 0.00 0.00 55.06 53.83 1tz0 s HIS 96 Cb -0.07 -0.42 0.04 0.00 -1.43 0.00 0.00 32.58 30.70 1tz0 s HIS 96 CO 0.15 -0.07 0.46 0.00 -2.00 0.00 0.00 174.74 173.27 1tz0 s ALA 97 N -1.35 -1.15 0.10 -1.38 0.00 -0.79 -5.01 121.76 112.17 1tz0 s ALA 97 Ca -0.09 0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.50 1tz0 s ALA 97 Cb -0.10 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 1tz0 s ALA 97 CO 0.01 -0.40 -0.19 0.14 0.00 0.00 0.00 175.76 175.32 1tz0 s VAL 98 N -1.92 1.57 0.01 0.00 -7.23 -1.26 -1.00 120.40 110.57 1tz0 s VAL 98 Ca -0.09 -1.50 0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1tz0 s VAL 98 Cb -0.02 -1.45 -0.01 0.00 0.56 0.00 0.00 36.38 35.47 1tz0 s VAL 98 CO 0.02 -0.11 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.35 1tz0 s TYR 99 N -1.22 0.38 -0.10 2.82 2.02 -0.08 -4.99 117.35 116.19 1tz0 s TYR 99 Ca 0.05 -0.25 -0.15 0.00 -0.37 0.00 0.00 57.07 56.35 1tz0 s TYR 99 Cb -0.10 -0.24 -0.05 0.00 -0.40 0.00 0.00 41.96 41.17 1tz0 s TYR 99 CO 0.04 -0.06 0.36 0.71 -1.57 0.00 0.00 175.55 175.04 1tz0 s TYR 100 N -0.64 3.56 -0.68 2.71 2.02 -1.26 -0.85 117.35 122.21 1tz0 s TYR 100 Ca -0.05 0.78 -0.24 0.00 -0.37 0.00 0.00 57.07 57.19 1tz0 s TYR 100 Cb -0.05 -2.36 0.06 0.00 -0.40 0.00 0.00 41.96 39.21 1tz0 s TYR 100 CO -0.00 0.36 1.06 0.08 -1.57 0.00 0.00 175.55 175.48 1tz0 s VAL 101 N -0.00 4.13 -0.71 0.71 1.01 -1.26 -4.85 120.40 119.42 1tz0 s VAL 101 Ca 0.21 -0.06 0.24 0.00 0.00 0.00 0.00 61.98 62.37 1tz0 s VAL 101 Cb -0.14 -4.75 -0.03 0.00 0.00 0.00 0.00 36.38 31.45 1tz0 s VAL 101 CO 0.08 -1.56 1.21 0.29 0.00 0.00 0.00 175.10 175.12 1tz0 n LYS 102 N 8.23 0.22 -3.55 2.72 5.02 -1.26 -4.76 118.16 124.78 1tz0 n LYS 102 Ca -0.01 0.03 -0.16 0.00 -2.02 0.00 0.00 58.31 56.15 1tz0 n LYS 102 Cb 0.47 -1.60 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 1tz0 n LYS 102 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1tz0 s SER 103 N -3.81 -0.60 0.18 4.39 0.15 -1.26 -5.15 113.70 107.60 1tz0 s SER 103 Ca 0.06 0.72 -0.23 0.00 0.70 0.00 0.00 55.95 57.21 1tz0 s SER 103 Cb 0.15 0.58 0.06 0.00 -1.71 0.00 0.00 66.02 65.10 1tz0 s SER 103 CO 0.75 -0.51 0.64 -0.94 1.20 0.00 0.00 173.24 174.38 1tz0 s SER 104 N -0.99 -0.49 -0.08 5.45 1.04 -1.26 -5.17 113.70 112.20 1tz0 s SER 104 Ca -0.08 -0.14 -0.10 0.00 0.48 0.00 0.00 55.95 56.11 1tz0 s SER 104 Cb -0.01 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.76 1tz0 s SER 104 CO 0.07 -1.04 0.27 -1.59 0.98 0.00 0.00 173.24 171.93 1tz0 s LYS 105 N -3.76 0.41 0.57 4.02 -2.85 -1.26 -5.18 119.74 111.69 1tz0 s LYS 105 Ca 0.04 0.20 0.09 0.00 -1.00 0.00 0.00 55.97 55.29 1tz0 s LYS 105 Cb -0.02 0.19 0.08 0.00 -2.06 0.00 0.00 37.83 36.02 1tz0 s LYS 105 CO -0.08 -0.07 0.78 0.00 0.10 0.00 0.00 175.35 176.08 1tz0 s ALA 106 N -0.29 4.62 -1.48 0.59 0.00 -1.26 -5.33 121.76 118.61 1tz0 s ALA 106 Ca -0.04 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 49.85 1tz0 s ALA 106 Cb -0.03 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1tz0 s ALA 106 CO 0.01 -0.85 0.37 0.00 0.00 0.00 0.00 175.76 175.30