#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i85 s LEU 14 N 0.00 4.23 0.00 2.23 1.43 -1.26 -3.36 118.68 121.95 3i85 s LEU 14 Ca 0.00 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.95 3i85 s LEU 14 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3i85 s LEU 14 CO 0.00 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.41 3i85 n GLY 15 N 3.70 1.12 0.00 -3.19 0.00 -1.22 -4.93 105.19 100.67 3i85 n GLY 15 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3i85 n GLY 15 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i85 n THR 16 N -1.64 0.00 0.00 2.61 -2.24 -1.21 -4.58 114.28 107.21 3i85 n THR 16 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i85 n THR 16 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3i85 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i85 n ALA 23 N -3.00 0.00 -1.80 6.98 0.00 -1.26 -4.70 120.51 116.72 3i85 n ALA 23 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3i85 n ALA 23 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3i85 n ALA 23 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i85 s GLY 24 N 0.00 2.47 0.09 0.00 0.00 -1.26 -5.02 107.32 103.60 3i85 s GLY 24 Ca 0.00 0.55 -0.30 0.00 0.00 0.00 0.00 44.72 44.97 3i85 s GLY 24 CO 0.00 0.85 1.02 -1.59 0.00 0.00 0.00 173.10 173.38 3i85 s THR 25 N -2.04 4.44 -0.23 0.90 2.01 -1.26 -4.82 115.64 114.64 3i85 s THR 25 Ca 0.66 1.92 -0.10 0.00 0.31 0.00 0.00 61.69 64.48 3i85 s THR 25 Cb -0.14 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 3i85 s THR 25 CO 0.18 0.24 0.13 -0.69 -0.69 0.00 0.00 174.62 173.80 3i85 s VAL 26 N 0.36 5.18 -0.15 3.82 1.01 -1.26 -0.66 120.40 128.71 3i85 s VAL 26 Ca 0.50 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 3i85 s VAL 26 Cb -0.24 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3i85 s VAL 26 CO 0.30 0.37 0.39 -0.36 0.00 0.00 0.00 175.10 175.80 3i85 s PHE 27 N 0.93 3.47 -0.10 5.22 0.40 0.25 -4.89 117.98 123.26 3i85 s PHE 27 Ca 0.07 0.72 -0.01 0.00 -0.60 0.00 0.00 56.93 57.11 3i85 s PHE 27 Cb -0.13 -2.46 -0.03 0.00 0.51 0.00 0.00 43.02 40.91 3i85 s PHE 27 CO 0.03 0.17 -0.05 -0.08 0.70 0.00 0.00 175.22 175.99 3i85 s THR 28 N 0.68 3.88 0.00 0.64 -1.32 -1.26 -0.27 115.64 117.98 3i85 s THR 28 Ca 0.21 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 3i85 s THR 28 Cb -0.14 -2.63 -0.00 0.00 -1.51 0.00 0.00 72.50 68.22 3i85 s THR 28 CO 0.07 0.57 -0.01 0.28 -2.21 0.00 0.00 174.62 173.32 3i85 s THR 29 N -0.47 0.09 -0.08 5.08 -1.32 0.07 -4.98 115.64 114.03 3i85 s THR 29 Ca 0.07 -0.22 -0.00 0.00 -1.21 0.00 0.00 61.69 60.33 3i85 s THR 29 Cb -0.12 -0.12 0.02 0.00 -1.51 0.00 0.00 72.50 70.78 3i85 s THR 29 CO 0.02 -0.08 -0.04 0.54 -2.21 0.00 0.00 174.62 172.85 3i85 s VAL 30 N -0.31 0.64 0.07 5.08 0.11 -1.26 0.63 120.40 125.35 3i85 s VAL 30 Ca -0.03 -0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.00 3i85 s VAL 30 Cb -0.02 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 3i85 s VAL 30 CO -0.00 0.29 -0.16 -1.83 -3.33 0.00 0.00 175.10 170.07 3i85 s GLU 31 N 1.57 0.94 0.10 1.54 -1.05 -0.32 -4.97 118.70 116.51 3i85 s GLU 31 Ca -0.00 -0.94 -0.30 0.00 -0.15 0.00 0.00 54.97 53.58 3i85 s GLU 31 Cb -0.13 -1.00 -0.06 0.00 -0.44 0.00 0.00 34.13 32.50 3i85 s GLU 31 CO -0.04 0.23 0.96 0.34 0.95 0.00 0.00 175.26 177.70 3i85 s ASP 32 N -1.57 7.48 -0.46 0.83 -1.08 -1.26 -0.94 116.67 119.67 3i85 s ASP 32 Ca 0.01 1.78 0.09 0.00 -0.52 0.00 0.00 52.55 53.91 3i85 s ASP 32 Cb -0.09 -2.58 0.37 0.00 -1.46 0.00 0.00 42.92 39.16 3i85 s ASP 32 CO 0.02 -0.08 0.92 -0.11 0.52 0.00 0.00 175.17 176.44 3i85 n LEU 33 N 2.88 3.11 0.00 -1.34 0.00 0.15 -4.91 117.00 116.89 3i85 n LEU 33 Ca 0.03 -5.14 0.00 0.00 0.00 0.00 0.00 56.01 50.90 3i85 n LEU 33 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 43.42 43.86 3i85 n LEU 33 CO 0.51 2.21 0.00 0.61 0.00 0.00 0.00 177.39 180.72 3i85 n GLY 34 N -0.12 1.23 0.50 -3.96 0.00 -1.26 -2.06 105.19 99.52 3i85 n GLY 34 Ca 0.28 0.28 0.06 0.00 0.00 0.00 0.00 46.02 46.64 3i85 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i85 n SER 35 N 6.51 2.19 -4.37 1.61 3.41 -1.26 -4.96 113.62 116.74 3i85 n SER 35 Ca 0.00 -1.60 -0.29 0.00 -0.26 0.00 0.00 58.87 56.72 3i85 n SER 35 Cb 0.00 -0.06 -0.14 0.00 -0.26 0.00 0.00 64.21 63.76 3i85 n SER 35 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i85 s LYS 36 N -0.96 1.53 -0.17 4.33 1.02 -0.88 -2.54 119.74 122.08 3i85 s LYS 36 Ca 0.16 -1.27 -0.08 0.00 0.02 0.00 0.00 55.97 54.80 3i85 s LYS 36 Cb 0.10 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.45 3i85 s LYS 36 CO 0.15 0.47 0.09 0.42 -0.92 0.00 0.00 175.35 175.55 3i85 s ILE 37 N -0.98 5.03 -0.37 2.17 -1.09 0.09 0.33 121.20 126.38 3i85 s ILE 37 Ca 0.13 0.05 -0.15 0.00 -2.23 0.00 0.00 60.65 58.45 3i85 s ILE 37 Cb -0.10 -3.25 -0.00 0.00 -1.58 0.00 0.00 42.46 37.53 3i85 s ILE 37 CO 0.05 0.49 0.33 -0.22 -1.23 0.00 0.00 174.94 174.35 3i85 s LEU 38 N 0.04 4.69 -0.12 2.97 2.96 -0.12 0.73 118.68 129.84 3i85 s LEU 38 Ca 0.07 -0.52 -0.15 0.00 -0.22 0.00 0.00 54.13 53.32 3i85 s LEU 38 Cb -0.12 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.28 3i85 s LEU 38 CO 0.00 -0.38 0.35 -0.76 -1.32 0.00 0.00 176.35 174.24 3i85 s LEU 39 N 1.87 4.30 0.05 -0.68 1.43 -0.11 -1.18 118.68 124.37 3i85 s LEU 39 Ca 0.09 0.66 0.05 0.00 -1.03 0.00 0.00 54.13 53.90 3i85 s LEU 39 Cb -0.17 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 3i85 s LEU 39 CO 0.11 0.14 -0.14 -0.89 0.23 0.00 0.00 176.35 175.80 3i85 s THR 40 N 0.11 1.14 -0.04 5.49 2.01 0.21 0.21 115.64 124.77 3i85 s THR 40 Ca 0.20 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 61.16 3i85 s THR 40 Cb -0.14 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.33 3i85 s THR 40 CO 0.07 -0.03 -0.09 0.00 -0.69 0.00 0.00 174.62 173.88 3i85 s SER 42 N 0.44 2.81 -0.18 0.00 0.15 0.62 -0.94 113.70 116.61 3i85 s SER 42 Ca -0.08 -0.49 -0.13 0.00 0.70 0.00 0.00 55.95 55.96 3i85 s SER 42 Cb -0.12 -1.03 -0.05 0.00 -1.71 0.00 0.00 66.02 63.11 3i85 s SER 42 CO 0.01 0.18 0.24 -0.22 1.20 0.00 0.00 173.24 174.65 3i85 s LEU 43 N 0.15 4.23 -0.94 3.45 1.98 0.44 0.88 118.68 128.87 3i85 s LEU 43 Ca -0.11 0.41 -0.24 0.00 -2.89 0.00 0.00 54.13 51.30 3i85 s LEU 43 Cb -0.15 -2.28 0.05 0.00 0.66 0.00 0.00 46.19 44.46 3i85 s LEU 43 CO 0.06 0.12 1.38 -0.62 -1.89 0.00 0.00 176.35 175.39 3i85 s ASP 44 N 0.48 6.41 0.90 3.68 -1.08 0.17 -4.84 116.67 122.39 3i85 s ASP 44 Ca 0.14 -1.22 0.00 0.00 -0.52 0.00 0.00 52.55 50.95 3i85 s ASP 44 Cb -0.12 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 3i85 s ASP 44 CO 0.02 -1.57 0.00 -0.90 0.52 0.00 0.00 175.17 173.24 3i85 n ASP 45 N 8.87 -0.62 0.00 -0.34 5.68 -1.26 -4.50 116.55 124.37 3i85 n ASP 45 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.53 3i85 n ASP 45 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 3i85 n ASP 45 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3i85 n SER 46 N -3.10 0.00 -1.60 -1.12 7.64 -1.26 -4.97 113.62 109.21 3i85 n SER 46 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3i85 n SER 46 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3i85 n SER 46 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3i85 n THR 48 N 0.71 -7.19 -4.00 0.44 -1.04 -1.26 -5.12 114.28 96.83 3i85 n THR 48 Ca 0.00 2.38 -0.34 0.00 -2.04 0.00 0.00 64.05 64.05 3i85 n THR 48 Cb 0.00 -3.66 -0.06 0.00 -1.82 0.00 0.00 70.33 64.78 3i85 n THR 48 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3i85 s GLU 49 N -2.00 3.28 0.18 -2.82 2.02 -1.26 -5.09 118.70 113.02 3i85 s GLU 49 Ca 0.00 -0.33 -0.27 0.00 0.02 0.00 0.00 54.97 54.40 3i85 s GLU 49 Cb 0.00 -3.02 -0.08 0.00 0.10 0.00 0.00 34.13 31.13 3i85 s GLU 49 CO 0.00 0.70 0.82 0.08 0.02 0.00 0.00 175.26 176.88 3i85 s VAL 50 N -1.16 4.29 -0.06 2.63 1.01 -1.26 -3.86 120.40 121.99 3i85 s VAL 50 Ca 0.21 1.81 0.11 0.00 0.00 0.00 0.00 61.98 64.11 3i85 s VAL 50 Cb -0.12 -4.19 -0.16 0.00 0.00 0.00 0.00 36.38 31.91 3i85 s VAL 50 CO 0.12 0.51 0.15 0.41 0.00 0.00 0.00 175.10 176.29 3i85 n THR 51 N 1.61 0.36 0.00 3.92 -1.04 0.24 -4.28 114.28 115.09 3i85 n THR 51 Ca -0.05 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 3i85 n THR 51 Cb 0.48 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 3i85 n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i85 n GLY 52 N 2.09 -0.99 3.21 3.41 0.00 -1.20 -3.53 105.19 108.17 3i85 n GLY 52 Ca -0.10 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 3i85 n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i85 s HIS 53 N -2.00 1.08 -0.06 1.61 3.76 -0.98 -0.60 115.29 118.10 3i85 s HIS 53 Ca 0.00 -0.91 -0.05 0.00 -0.15 0.00 0.00 55.06 53.95 3i85 s HIS 53 Cb 0.00 -0.60 0.01 0.00 1.11 0.00 0.00 32.58 33.10 3i85 s HIS 53 CO 0.00 -0.11 0.15 0.50 -0.85 0.00 0.00 174.74 174.42 3i85 s ARG 54 N -3.84 0.17 -0.03 1.40 3.52 -0.27 -1.23 118.95 118.68 3i85 s ARG 54 Ca 0.17 0.20 0.07 0.00 -0.13 0.00 0.00 55.73 56.05 3i85 s ARG 54 Cb 0.05 0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.51 3i85 s ARG 54 CO -0.01 -0.02 -0.25 -1.58 -0.81 0.00 0.00 175.30 172.63 3i85 s TRP 55 N 0.07 2.28 0.05 5.12 0.52 0.01 0.00 118.94 127.00 3i85 s TRP 55 Ca -0.00 -0.48 0.06 0.00 0.02 0.00 0.00 56.10 55.70 3i85 s TRP 55 Cb -0.01 -1.47 -0.02 0.00 -1.15 0.00 0.00 33.47 30.81 3i85 s TRP 55 CO 0.00 -0.07 -0.17 -0.51 0.02 0.00 0.00 176.95 176.22 3i85 s LEU 56 N -0.51 2.18 -0.09 2.99 1.02 -0.11 0.29 118.68 124.46 3i85 s LEU 56 Ca 0.07 -0.51 0.04 0.00 0.02 0.00 0.00 54.13 53.76 3i85 s LEU 56 Cb -0.10 -0.77 -0.01 0.00 0.02 0.00 0.00 46.19 45.33 3i85 s LEU 56 CO -0.00 0.08 -0.23 -0.75 0.02 0.00 0.00 176.35 175.47 3i85 s LYS 57 N -1.23 2.88 5.45 1.70 2.20 0.10 -0.84 119.74 130.00 3i85 s LYS 57 Ca 0.04 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.78 3i85 s LYS 57 Cb -0.08 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 3i85 s LYS 57 CO 0.02 0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.68 3i85 n GLY 58 N 3.28 3.19 0.53 5.54 0.00 -0.82 -0.65 105.19 116.27 3i85 n GLY 58 Ca -0.18 0.27 0.06 0.00 0.00 0.00 0.00 46.02 46.16 3i85 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i85 n GLY 59 N 0.00 1.01 3.79 -0.02 0.00 -1.26 -4.88 105.19 103.83 3i85 n GLY 59 Ca 0.00 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 3i85 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i85 s VAL 60 N -0.96 5.43 0.02 1.61 1.01 0.18 -4.58 120.40 123.11 3i85 s VAL 60 Ca 0.18 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 3i85 s VAL 60 Cb 0.11 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 3i85 s VAL 60 CO 0.15 0.51 1.43 -0.69 0.00 0.00 0.00 175.10 176.50 3i85 s VAL 61 N -0.18 3.57 -0.20 2.92 1.01 -1.26 0.00 120.40 126.26 3i85 s VAL 61 Ca 0.12 0.99 0.08 0.00 0.00 0.00 0.00 61.98 63.17 3i85 s VAL 61 Cb -0.12 -3.64 -0.18 0.00 0.00 0.00 0.00 36.38 32.44 3i85 s VAL 61 CO 0.01 0.01 -0.08 0.18 0.00 0.00 0.00 175.10 175.22 3i85 n LEU 62 N 5.25 1.61 -3.95 3.92 4.32 0.15 -3.43 117.00 124.86 3i85 n LEU 62 Ca 0.13 -0.07 -0.09 0.00 -0.02 0.00 0.00 56.01 55.96 3i85 n LEU 62 Cb 0.43 -0.23 -0.10 0.00 -1.62 0.00 0.00 43.42 41.90 3i85 n LEU 62 CO 0.59 0.68 -0.30 -0.54 -1.22 0.00 0.00 177.39 176.60 3i85 s LYS 63 N -2.44 0.40 -0.14 3.23 1.02 -1.04 -5.00 119.74 115.77 3i85 s LYS 63 Ca -0.21 -0.61 -0.28 0.00 0.02 0.00 0.00 55.97 54.90 3i85 s LYS 63 Cb 0.07 0.15 0.07 0.00 -0.52 0.00 0.00 37.83 37.60 3i85 s LYS 63 CO 0.62 -0.08 0.67 -1.83 -0.92 0.00 0.00 175.35 173.81 3i85 s GLU 64 N -1.71 0.94 0.27 1.68 -1.05 -1.26 -0.81 118.70 116.75 3i85 s GLU 64 Ca -0.13 0.54 0.02 0.00 -0.15 0.00 0.00 54.97 55.24 3i85 s GLU 64 Cb -0.07 0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 34.02 3i85 s GLU 64 CO -0.01 -0.23 0.15 0.16 0.95 0.00 0.00 175.26 176.28 3i85 s ASP 65 N -0.55 1.06 -0.41 0.83 1.47 -0.37 -4.98 116.67 113.72 3i85 s ASP 65 Ca -0.07 -1.49 0.07 0.00 1.18 0.00 0.00 52.55 52.25 3i85 s ASP 65 Cb -0.02 0.35 0.43 0.00 -0.34 0.00 0.00 42.92 43.34 3i85 s ASP 65 CO 0.06 -0.85 1.10 0.00 0.68 0.00 0.00 175.17 176.15 3i85 n ALA 66 N -0.47 4.82 -2.62 2.11 0.00 -1.26 -2.33 120.51 120.76 3i85 n ALA 66 Ca 0.02 -4.11 -0.32 0.00 0.00 0.00 0.00 53.44 49.03 3i85 n ALA 66 Cb 0.65 -0.58 -0.10 0.00 0.00 0.00 0.00 19.45 19.43 3i85 n ALA 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i85 s LEU 67 N -3.50 3.24 0.00 0.00 1.43 -1.23 -4.73 118.68 113.89 3i85 s LEU 67 Ca 0.45 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 53.34 3i85 s LEU 67 Cb 0.41 -1.90 0.07 0.00 0.03 0.00 0.00 46.19 44.80 3i85 s LEU 67 CO -0.14 0.25 0.28 -0.81 0.23 0.00 0.00 176.35 176.16 3i85 n PRO 68 N 1.26 -1.38 0.00 1.29 -0.05 -1.26 -3.29 135.00 131.57 3i85 n PRO 68 Ca -0.14 -0.44 0.00 0.00 -0.05 0.00 0.00 63.50 62.86 3i85 n PRO 68 Cb 0.52 -0.40 0.00 0.00 -0.05 0.00 0.00 33.50 33.58 3i85 n PRO 68 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3i85 n GLY 69 N 0.97 3.62 0.00 0.55 0.00 -1.26 -4.87 105.19 104.20 3i85 n GLY 69 Ca 0.04 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 44.98 3i85 n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i85 n GLN 70 N 0.10 0.63 -4.40 1.61 1.13 -1.26 -4.76 117.38 110.43 3i85 n GLN 70 Ca 0.00 0.02 -0.20 0.00 -1.94 0.00 0.00 57.00 54.88 3i85 n GLN 70 Cb 0.00 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 28.71 3i85 n GLN 70 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3i85 s LYS 71 N -2.17 0.90 -0.08 -1.09 2.20 -1.26 0.17 119.74 118.41 3i85 s LYS 71 Ca 0.32 -0.58 -0.07 0.00 -0.36 0.00 0.00 55.97 55.28 3i85 s LYS 71 Cb 0.16 -0.87 0.02 0.00 -1.51 0.00 0.00 37.83 35.63 3i85 s LYS 71 CO 0.30 0.23 0.21 -0.08 -0.36 0.00 0.00 175.35 175.65 3i85 s THR 72 N -0.58 -0.00 0.19 3.43 -1.32 -0.11 -4.99 115.64 112.25 3i85 s THR 72 Ca 0.02 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.60 3i85 s THR 72 Cb -0.06 -0.30 -0.04 0.00 -1.51 0.00 0.00 72.50 70.59 3i85 s THR 72 CO 0.00 0.00 -0.19 -1.61 -2.21 0.00 0.00 174.62 170.62 3i85 s GLU 73 N 0.13 1.37 -0.11 7.08 2.02 -1.26 -0.36 118.70 127.58 3i85 s GLU 73 Ca -0.00 -1.51 -0.04 0.00 0.02 0.00 0.00 54.97 53.45 3i85 s GLU 73 Cb -0.02 -1.42 0.05 0.00 0.10 0.00 0.00 34.13 32.85 3i85 s GLU 73 CO 0.00 0.28 0.15 0.12 0.02 0.00 0.00 175.26 175.84 3i85 s PHE 74 N -2.23 -0.13 -0.12 1.61 5.36 0.13 -4.99 117.98 117.62 3i85 s PHE 74 Ca 0.20 0.42 -0.29 0.00 -0.96 0.00 0.00 56.93 56.29 3i85 s PHE 74 Cb -0.05 -0.34 -0.01 0.00 -0.34 0.00 0.00 43.02 42.28 3i85 s PHE 74 CO 0.08 -0.34 0.99 0.15 -1.46 0.00 0.00 175.22 174.64 3i85 s LYS 75 N 2.27 4.40 -0.21 10.12 1.02 -1.26 -0.93 119.74 135.15 3i85 s LYS 75 Ca 0.04 1.35 -0.05 0.00 0.02 0.00 0.00 55.97 57.33 3i85 s LYS 75 Cb -0.13 -3.55 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 3i85 s LYS 75 CO -0.07 -0.33 -0.01 0.08 -0.92 0.00 0.00 175.35 174.11 3i85 s VAL 76 N 2.06 3.82 0.56 3.17 1.01 0.22 -4.93 120.40 126.32 3i85 s VAL 76 Ca 0.47 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 3i85 s VAL 76 Cb -0.18 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 3i85 s VAL 76 CO 0.17 0.42 1.09 -1.81 0.00 0.00 0.00 175.10 174.97 3i85 s ASP 77 N 1.18 5.77 0.53 3.32 1.01 -1.26 -0.73 116.67 126.49 3i85 s ASP 77 Ca 0.03 2.03 0.27 0.00 0.71 0.00 0.00 52.55 55.59 3i85 s ASP 77 Cb -0.14 -2.56 1.42 0.00 1.01 0.00 0.00 42.92 42.64 3i85 s ASP 77 CO 0.01 -1.18 1.96 0.77 0.21 0.00 0.00 175.17 176.94 3i85 h SER 78 N 0.96 0.01 -0.21 0.27 4.64 -1.90 -0.35 113.55 116.97 3i85 h SER 78 Ca -0.49 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.76 3i85 h SER 78 Cb 1.24 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3i85 h SER 78 CO 0.57 0.00 -0.15 0.44 -0.87 0.00 0.00 176.83 176.82 3i85 h ASP 79 N 0.01 0.49 -0.36 4.97 3.32 -1.92 -3.28 116.42 119.65 3i85 h ASP 79 Ca 0.31 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3i85 h ASP 79 Cb 1.22 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3i85 h ASP 79 CO -0.01 0.83 0.00 0.47 -1.72 0.00 0.00 179.24 178.81 3i85 n ASP 80 N -4.49 2.79 -2.01 6.45 8.00 -0.18 -4.61 116.55 122.49 3i85 n ASP 80 Ca -0.05 -2.23 -0.13 0.00 0.71 0.00 0.00 54.79 53.10 3i85 n ASP 80 Cb 0.37 -0.42 -0.14 0.00 -0.02 0.00 0.00 41.12 40.91 3i85 n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i85 n GLN 81 N 0.53 1.96 -3.96 -1.24 6.02 -0.95 -4.78 117.38 114.96 3i85 n GLN 81 Ca 0.14 -1.08 -0.08 0.00 -0.01 0.00 0.00 57.00 55.97 3i85 n GLN 81 Cb 0.53 -1.93 -0.08 0.00 1.02 0.00 0.00 30.24 29.78 3i85 n GLN 81 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.06 177.72 3i85 s TRP 82 N 0.56 0.34 0.00 1.08 1.48 -1.26 -5.09 118.94 116.05 3i85 s TRP 82 Ca 0.60 -0.81 0.00 0.00 -1.06 0.00 0.00 56.10 54.83 3i85 s TRP 82 Cb 0.30 -0.20 0.00 0.00 -1.16 0.00 0.00 33.47 32.41 3i85 s TRP 82 CO -0.03 -0.49 0.00 0.41 -4.06 0.00 0.00 176.95 172.78 3i85 n GLY 83 N -0.01 -2.13 3.32 3.67 0.00 -1.26 -4.92 105.19 103.87 3i85 n GLY 83 Ca -0.14 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.71 3i85 n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i85 s GLU 84 N -0.16 3.15 0.12 1.61 2.12 -1.26 -5.04 118.70 119.22 3i85 s GLU 84 Ca 0.00 -0.80 -0.05 0.00 0.36 0.00 0.00 54.97 54.48 3i85 s GLU 84 Cb 0.00 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.10 3i85 s GLU 84 CO 0.00 -0.37 0.35 0.71 -0.54 0.00 0.00 175.26 175.41 3i85 s TYR 85 N 1.48 3.50 -0.03 5.30 1.51 -1.26 -1.94 117.35 125.91 3i85 s TYR 85 Ca 0.03 0.54 0.01 0.00 -1.01 0.00 0.00 57.07 56.65 3i85 s TYR 85 Cb -0.16 -1.99 0.01 0.00 -0.11 0.00 0.00 41.96 39.71 3i85 s TYR 85 CO 0.00 0.47 -0.05 -1.12 -1.11 0.00 0.00 175.55 173.75 3i85 s SER 86 N -2.31 0.79 0.04 2.29 0.01 -0.02 -4.98 113.70 109.51 3i85 s SER 86 Ca 0.38 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.58 3i85 s SER 86 Cb -0.12 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 3i85 s SER 86 CO 0.24 -0.00 -0.07 0.00 0.41 0.00 0.00 173.24 173.81 3i85 s VAL 88 N -1.09 0.95 -0.11 0.00 1.01 0.10 -4.98 120.40 116.28 3i85 s VAL 88 Ca 0.19 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 3i85 s VAL 88 Cb -0.11 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 3i85 s VAL 88 CO 0.11 0.30 0.02 -0.36 0.00 0.00 0.00 175.10 175.16 3i85 s PHE 89 N 0.40 3.20 -0.04 5.22 0.40 -1.26 -1.11 117.98 124.79 3i85 s PHE 89 Ca -0.08 0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.45 3i85 s PHE 89 Cb -0.12 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 3i85 s PHE 89 CO 0.02 0.40 -0.16 -0.51 0.70 0.00 0.00 175.22 175.67 3i85 s LEU 90 N -0.60 2.66 0.50 -0.37 1.43 0.23 -4.99 118.68 117.54 3i85 s LEU 90 Ca 0.10 -0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3i85 s LEU 90 Cb -0.12 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.60 3i85 s LEU 90 CO 0.02 0.34 0.69 -2.16 0.23 0.00 0.00 176.35 175.47 3i85 s PRO 91 N -0.74 2.64 0.53 1.29 0.05 -1.26 0.79 135.00 138.29 3i85 s PRO 91 Ca 0.11 -1.02 -0.21 0.00 0.05 0.00 0.00 61.00 59.93 3i85 s PRO 91 Cb -0.11 -2.61 -0.07 0.00 0.05 0.00 0.00 34.50 31.76 3i85 s PRO 91 CO 0.00 -0.54 0.94 0.39 0.05 0.00 0.00 177.00 177.85 3i85 n GLU 92 N -2.13 1.06 -0.76 4.56 4.71 -1.25 -4.61 120.64 122.21 3i85 n GLU 92 Ca 0.08 0.40 -0.33 0.00 -0.01 0.00 0.00 57.16 57.30 3i85 n GLU 92 Cb 0.59 -2.08 0.14 0.00 -1.01 0.00 0.00 31.44 29.08 3i85 n GLU 92 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3i85 n PRO 93 N -0.45 -0.61 -0.08 3.49 -0.04 -1.26 -4.99 135.00 131.06 3i85 n PRO 93 Ca 0.12 -0.14 -0.09 0.00 -0.04 0.00 0.00 63.50 63.35 3i85 n PRO 93 Cb 0.44 -1.85 -0.12 0.00 -0.04 0.00 0.00 33.50 31.94 3i85 n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i85 n MET 94 N -1.92 1.27 -4.01 0.54 0.00 -1.26 -4.98 117.12 106.76 3i85 n MET 94 Ca 0.06 0.01 -0.12 0.00 0.00 0.00 0.00 57.70 57.64 3i85 n MET 94 Cb 0.55 -1.40 -0.13 0.00 0.00 0.00 0.00 33.22 32.24 3i85 n MET 94 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3i85 s GLY 95 N -5.11 0.22 -0.12 3.17 0.00 -1.26 -5.15 107.32 99.08 3i85 s GLY 95 Ca -0.11 -0.35 -0.10 0.00 0.00 0.00 0.00 44.72 44.16 3i85 s GLY 95 CO 0.61 -0.37 0.31 -1.59 0.00 0.00 0.00 173.10 172.06 3i85 s THR 96 N -0.65 -0.00 0.05 0.90 2.01 -1.26 -5.16 115.64 111.52 3i85 s THR 96 Ca -0.05 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 3i85 s THR 96 Cb -0.05 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 3i85 s THR 96 CO -0.00 0.01 -0.02 0.00 -0.69 0.00 0.00 174.62 173.91 3i85 s ALA 97 N 0.29 0.43 -0.17 7.40 0.00 -1.26 -5.15 121.76 123.31 3i85 s ALA 97 Ca -0.01 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 3i85 s ALA 97 Cb -0.03 0.26 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 3i85 s ALA 97 CO -0.01 -0.34 -0.14 -0.80 0.00 0.00 0.00 175.76 174.47 3i85 s ASN 98 N -2.70 3.75 -0.20 0.00 0.01 -1.26 -5.11 114.94 109.43 3i85 s ASN 98 Ca 0.04 -0.46 -0.07 0.00 -0.71 0.00 0.00 52.86 51.65 3i85 s ASN 98 Cb 0.05 -1.59 -0.04 0.00 0.41 0.00 0.00 41.25 40.09 3i85 s ASN 98 CO -0.09 0.07 0.06 -0.63 -1.51 0.00 0.00 177.10 175.00 3i85 s ILE 99 N 0.93 4.65 -0.38 0.60 1.01 -1.26 -5.09 121.20 121.67 3i85 s ILE 99 Ca -0.03 -0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 3i85 s ILE 99 Cb -0.15 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.24 3i85 s ILE 99 CO -0.02 0.42 0.21 -1.58 0.00 0.00 0.00 174.94 173.98 3i85 s GLN 100 N 0.72 2.79 0.60 2.79 2.00 -1.26 -5.09 119.66 122.21 3i85 s GLN 100 Ca 0.03 -1.13 -0.02 0.00 -2.00 0.00 0.00 55.36 52.25 3i85 s GLN 100 Cb -0.13 -3.73 0.04 0.00 0.80 0.00 0.00 33.01 29.98 3i85 s GLN 100 CO 0.02 -0.73 0.86 -0.51 -0.50 0.00 0.00 175.29 174.43 3i85 s LEU 101 N 1.54 3.15 0.00 3.68 1.43 -1.26 -5.38 118.68 121.84 3i85 s LEU 101 Ca 0.02 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 3i85 s LEU 101 Cb -0.20 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 42.99 3i85 s LEU 101 CO 0.06 -1.25 0.05 1.41 0.23 0.00 0.00 176.35 176.85