#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3t s GLN 2 N 0.00 3.28 0.31 0.03 -2.07 -1.26 -1.85 119.66 118.10 3i3t s GLN 2 Ca 0.00 -0.69 0.09 0.00 -1.82 0.00 0.00 55.36 52.94 3i3t s GLN 2 Cb 0.00 -2.81 -0.05 0.00 -1.09 0.00 0.00 33.01 29.06 3i3t s GLN 2 CO 0.00 -0.11 0.00 0.96 -1.32 0.00 0.00 175.29 174.83 3i3t s ILE 3 N 1.17 2.92 -0.01 3.63 -4.36 -1.02 -0.82 121.20 122.71 3i3t s ILE 3 Ca 0.02 -1.96 0.08 0.00 -0.26 0.00 0.00 60.65 58.53 3i3t s ILE 3 Cb -0.14 -2.79 -0.02 0.00 1.25 0.00 0.00 42.46 40.76 3i3t s ILE 3 CO -0.04 -0.27 -0.25 -0.36 0.24 0.00 0.00 174.94 174.26 3i3t s PHE 4 N -2.44 2.27 -0.14 1.37 0.08 -0.02 -1.52 117.98 117.58 3i3t s PHE 4 Ca 0.34 -0.43 0.02 0.00 0.12 0.00 0.00 56.93 56.98 3i3t s PHE 4 Cb -0.03 -1.44 0.01 0.00 -0.57 0.00 0.00 43.02 40.99 3i3t s PHE 4 CO 0.20 -0.01 -0.21 0.08 -0.10 0.00 0.00 175.22 175.18 3i3t s VAL 5 N -0.63 1.97 -0.22 -0.44 1.01 -0.47 -0.24 120.40 121.38 3i3t s VAL 5 Ca 0.10 -0.92 -0.20 0.00 0.00 0.00 0.00 61.98 60.96 3i3t s VAL 5 Cb -0.10 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3i3t s VAL 5 CO -0.00 0.53 0.59 -0.75 0.00 0.00 0.00 175.10 175.47 3i3t s LYS 6 N 0.89 4.17 0.29 2.72 2.20 -0.03 0.03 119.74 130.00 3i3t s LYS 6 Ca -0.06 0.52 0.04 0.00 -0.36 0.00 0.00 55.97 56.11 3i3t s LYS 6 Cb -0.15 -3.60 0.05 0.00 -1.51 0.00 0.00 37.83 32.62 3i3t s LYS 6 CO -0.03 -0.26 0.39 0.25 -0.36 0.00 0.00 175.35 175.34 3i3t n THR 7 N 4.81 0.00 -0.04 3.43 -2.24 -0.57 -0.84 114.28 118.83 3i3t n THR 7 Ca -0.02 -0.91 0.11 0.00 -2.27 0.00 0.00 64.05 60.96 3i3t n THR 7 Cb 0.50 -0.81 0.52 0.00 -2.10 0.00 0.00 70.33 68.44 3i3t n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3i3t h LEU 8 N 0.00 0.32 -0.30 3.22 4.07 -1.86 -0.58 115.31 120.18 3i3t h LEU 8 Ca -0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.83 3i3t h LEU 8 Cb 0.60 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.27 3i3t h LEU 8 CO 0.18 0.20 -0.52 0.35 -1.08 0.00 0.00 178.44 177.58 3i3t n THR 9 N -4.47 0.00 0.00 0.22 -2.24 -1.26 -4.96 114.28 101.57 3i3t n THR 9 Ca 0.08 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i3t n THR 9 Cb 0.33 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 3i3t n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i3t n GLY 10 N 1.44 1.31 3.72 3.38 0.00 -0.23 -5.06 105.19 109.76 3i3t n GLY 10 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3i3t n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i3t s LYS 11 N -0.85 4.29 -0.04 1.61 2.20 -1.26 -4.61 119.74 121.07 3i3t s LYS 11 Ca 0.00 2.19 -0.20 0.00 -0.36 0.00 0.00 55.97 57.60 3i3t s LYS 11 Cb 0.00 -3.19 -0.05 0.00 -1.51 0.00 0.00 37.83 33.08 3i3t s LYS 11 CO 0.00 -0.46 0.57 0.99 -0.36 0.00 0.00 175.35 176.09 3i3t s THR 12 N 0.80 5.00 0.12 3.43 2.01 -1.26 -1.51 115.64 124.23 3i3t s THR 12 Ca 0.64 1.18 0.03 0.00 0.31 0.00 0.00 61.69 63.85 3i3t s THR 12 Cb -0.40 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 3i3t s THR 12 CO 0.34 0.38 0.17 0.27 -0.69 0.00 0.00 174.62 175.09 3i3t s ILE 13 N 0.10 4.88 -0.18 1.82 -4.36 0.10 -4.94 121.20 118.62 3i3t s ILE 13 Ca 0.30 -0.77 -0.12 0.00 -0.26 0.00 0.00 60.65 59.81 3i3t s ILE 13 Cb -0.17 -3.44 -0.05 0.00 1.25 0.00 0.00 42.46 40.05 3i3t s ILE 13 CO 0.15 0.01 0.20 -0.89 0.24 0.00 0.00 174.94 174.65 3i3t s THR 14 N -1.61 5.37 0.20 8.37 2.01 -1.26 -1.37 115.64 127.35 3i3t s THR 14 Ca 0.32 0.34 0.10 0.00 0.31 0.00 0.00 61.69 62.76 3i3t s THR 14 Cb -0.11 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 3i3t s THR 14 CO 0.25 0.42 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.64 3i3t s LEU 15 N 0.40 2.49 -0.26 4.42 1.43 -0.58 -5.01 118.68 121.57 3i3t s LEU 15 Ca 0.12 -0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 52.26 3i3t s LEU 15 Cb -0.12 -0.96 0.02 0.00 0.03 0.00 0.00 46.19 45.16 3i3t s LEU 15 CO 0.00 0.01 -0.01 -0.70 0.23 0.00 0.00 176.35 175.88 3i3t s GLU 16 N -3.04 2.95 0.15 1.70 2.56 -1.26 -2.44 118.70 119.32 3i3t s GLU 16 Ca 0.21 -0.92 0.03 0.00 0.00 0.00 0.00 54.97 54.30 3i3t s GLU 16 Cb -0.05 -3.11 -0.05 0.00 2.00 0.00 0.00 34.13 32.92 3i3t s GLU 16 CO 0.09 -0.40 -0.06 0.14 -0.56 0.00 0.00 175.26 174.48 3i3t s VAL 17 N 1.39 0.92 0.18 3.70 -7.23 -0.77 -5.05 120.40 113.54 3i3t s VAL 17 Ca 0.01 -2.01 0.07 0.00 -1.81 0.00 0.00 61.98 58.25 3i3t s VAL 17 Cb -0.17 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 3i3t s VAL 17 CO -0.02 -0.66 0.02 -1.61 -0.31 0.00 0.00 175.10 172.51 3i3t s GLU 18 N -3.82 2.45 0.00 4.82 0.41 -1.26 -2.34 118.70 118.96 3i3t s GLU 18 Ca 0.19 -1.10 0.00 0.00 -0.41 0.00 0.00 54.97 53.65 3i3t s GLU 18 Cb 0.04 -2.38 0.00 0.00 -1.78 0.00 0.00 34.13 30.02 3i3t s GLU 18 CO 0.01 0.45 0.88 -2.30 -0.49 0.00 0.00 175.26 173.81 3i3t n PRO 19 N -0.21 0.00 0.00 0.39 -0.02 -1.26 -1.80 135.00 132.10 3i3t n PRO 19 Ca -0.09 0.38 0.07 0.00 -2.02 0.00 0.00 63.50 61.84 3i3t n PRO 19 Cb 0.55 -1.52 0.01 0.00 -0.02 0.00 0.00 33.50 32.53 3i3t n PRO 19 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3i3t n SER 20 N -1.38 1.68 -4.72 2.55 7.64 -1.26 -0.08 113.62 118.05 3i3t n SER 20 Ca 0.00 -1.34 -0.43 0.00 1.01 0.00 0.00 58.87 58.11 3i3t n SER 20 Cb 0.02 0.35 -0.02 0.00 -1.01 0.00 0.00 64.21 63.55 3i3t n SER 20 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3i3t n ASP 21 N 0.09 3.45 -3.93 6.43 8.00 -0.75 -4.80 116.55 125.04 3i3t n ASP 21 Ca 0.07 1.15 -0.30 0.00 0.71 0.00 0.00 54.79 56.41 3i3t n ASP 21 Cb 0.31 -1.53 0.23 0.00 -0.02 0.00 0.00 41.12 40.11 3i3t n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3i3t s THR 22 N -0.07 1.64 0.00 -3.53 -4.23 -1.26 -1.57 115.64 106.63 3i3t s THR 22 Ca 0.65 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.27 3i3t s THR 22 Cb -0.55 -2.45 -0.10 0.00 1.34 0.00 0.00 72.50 70.74 3i3t s THR 22 CO 0.49 0.00 1.31 0.40 -0.54 0.00 0.00 174.62 176.29 3i3t h ILE 23 N -2.55 1.33 -0.90 2.99 5.03 -1.63 -2.99 117.51 118.79 3i3t h ILE 23 Ca -0.47 -2.91 0.04 0.00 -0.12 0.00 0.00 64.86 61.40 3i3t h ILE 23 Cb 1.30 2.65 -0.05 0.00 -3.03 0.00 0.00 36.82 37.69 3i3t h ILE 23 CO 0.38 0.76 0.58 -0.33 -0.68 0.00 0.00 178.15 178.86 3i3t h GLU 24 N 0.00 1.08 -0.05 2.37 3.07 -1.89 -2.04 114.58 117.12 3i3t h GLU 24 Ca -0.02 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3i3t h GLU 24 Cb 1.63 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 29.29 3i3t h GLU 24 CO 0.10 0.71 0.02 -0.91 -1.40 0.00 0.00 179.01 177.54 3i3t h ASN 25 N 1.11 0.03 -0.28 1.42 -0.26 -1.91 0.23 115.58 115.92 3i3t h ASN 25 Ca 0.36 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 56.15 3i3t h ASN 25 Cb 0.03 -0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.25 3i3t h ASN 25 CO -0.13 0.03 0.05 0.58 -1.06 0.00 0.00 177.43 176.90 3i3t h VAL 26 N 0.05 0.87 -0.62 2.81 2.07 -1.39 -1.67 116.25 118.37 3i3t h VAL 26 Ca 0.02 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.51 3i3t h VAL 26 Cb 0.00 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3i3t h VAL 26 CO -0.02 0.03 0.39 0.11 0.02 0.00 0.00 177.57 178.10 3i3t h LYS 27 N 0.16 0.75 -0.68 1.57 1.57 -1.22 -0.87 116.57 117.85 3i3t h LYS 27 Ca 0.13 -0.05 0.15 0.00 -1.87 0.00 0.00 60.65 59.01 3i3t h LYS 27 Cb 0.14 -0.17 -0.11 0.00 0.08 0.00 0.00 32.23 32.17 3i3t h LYS 27 CO -0.17 0.50 0.10 0.00 -0.57 0.00 0.00 179.45 179.31 3i3t h ALA 28 N 1.26 0.80 -0.22 3.86 0.00 -0.18 0.58 119.26 125.35 3i3t h ALA 28 Ca 0.24 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 3i3t h ALA 28 Cb -0.01 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3i3t h ALA 28 CO -0.09 -0.36 -0.06 0.87 0.00 0.00 0.00 179.25 179.61 3i3t h LYS 29 N 0.20 0.34 0.06 0.00 1.79 -0.34 -2.00 116.57 116.63 3i3t h LYS 29 Ca 0.37 -0.07 -0.25 0.00 -2.18 0.00 0.00 60.65 58.52 3i3t h LYS 29 Cb 0.63 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 31.23 3i3t h LYS 29 CO -0.52 0.42 -1.09 0.82 -1.08 0.00 0.00 179.45 178.01 3i3t h ILE 30 N 0.33 1.41 0.04 1.86 2.04 0.64 -2.37 117.51 121.46 3i3t h ILE 30 Ca 0.07 -2.65 0.02 0.00 1.00 0.00 0.00 64.86 63.31 3i3t h ILE 30 Cb 0.32 2.63 -0.03 0.00 -0.74 0.00 0.00 36.82 39.00 3i3t h ILE 30 CO 0.01 0.79 -0.16 -0.61 0.00 0.00 0.00 178.15 178.17 3i3t h GLN 31 N 0.19 -0.28 -0.74 2.37 4.15 0.13 0.46 115.11 121.38 3i3t h GLN 31 Ca -0.11 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.44 3i3t h GLN 31 Cb 1.76 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 29.46 3i3t h GLN 31 CO 0.19 -0.19 0.49 -0.44 -1.93 0.00 0.00 178.83 176.95 3i3t h ASP 32 N -0.29 0.50 0.42 -0.69 3.32 -1.27 0.10 116.42 118.51 3i3t h ASP 32 Ca 0.04 0.02 -0.31 0.00 0.02 0.00 0.00 57.03 56.80 3i3t h ASP 32 Cb 0.34 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3i3t h ASP 32 CO -0.13 0.29 -1.73 0.50 -1.72 0.00 0.00 179.24 176.44 3i3t h LYS 33 N 0.55 0.09 0.00 3.56 3.64 -1.30 -3.43 116.57 119.68 3i3t h LYS 33 Ca 0.35 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3i3t h LYS 33 Cb 0.61 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3i3t h LYS 33 CO -0.12 0.76 -1.10 -1.91 -2.27 0.00 0.00 179.45 174.81 3i3t n GLU 34 N -3.21 2.96 -0.14 1.90 4.07 0.14 -5.04 120.64 121.32 3i3t n GLU 34 Ca -0.20 -0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.90 3i3t n GLU 34 Cb 1.05 -1.04 0.00 0.00 -0.06 0.00 0.00 31.44 31.39 3i3t n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i3t n GLY 35 N 2.80 0.92 3.48 8.31 0.00 -0.01 -5.03 105.19 115.66 3i3t n GLY 35 Ca -0.02 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 3i3t n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i3t s ILE 36 N -2.00 4.62 0.56 -0.61 1.01 -1.26 -5.02 121.20 118.50 3i3t s ILE 36 Ca 0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 60.65 60.29 3i3t s ILE 36 Cb 0.00 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 3i3t s ILE 36 CO 0.00 0.25 1.32 -2.84 0.00 0.00 0.00 174.94 173.68 3i3t s PRO 37 N 1.65 3.05 0.21 2.79 0.02 -1.26 -4.01 135.00 137.45 3i3t s PRO 37 Ca 0.06 2.15 -0.09 0.00 0.02 0.00 0.00 61.00 63.14 3i3t s PRO 37 Cb -0.16 -2.16 0.31 0.00 0.02 0.00 0.00 34.50 32.51 3i3t s PRO 37 CO 0.06 -1.23 1.72 -1.35 -0.33 0.00 0.00 177.00 175.87 3i3t h PRO 38 N 1.28 0.31 0.00 5.54 0.11 -1.95 -2.46 132.00 134.82 3i3t h PRO 38 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3i3t h PRO 38 Cb 1.30 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3i3t h PRO 38 CO 0.56 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 3i3t n ASP 39 N -5.08 0.00 -0.11 -2.05 5.68 -1.26 -0.53 116.55 113.20 3i3t n ASP 39 Ca 0.10 0.43 0.07 0.00 -0.50 0.00 0.00 54.79 54.88 3i3t n ASP 39 Cb 0.32 -0.45 -0.06 0.00 -1.14 0.00 0.00 41.12 39.80 3i3t n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i3t n GLN 40 N -1.45 2.15 -2.79 0.11 6.02 -0.93 -4.99 117.38 115.49 3i3t n GLN 40 Ca 0.02 -0.24 -0.41 0.00 -0.01 0.00 0.00 57.00 56.36 3i3t n GLN 40 Cb 0.07 -1.19 -0.04 0.00 1.02 0.00 0.00 30.24 30.10 3i3t n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i3t s GLN 41 N -2.16 4.61 -0.08 -1.09 -0.21 0.31 -4.34 119.66 116.69 3i3t s GLN 41 Ca 0.08 1.34 0.04 0.00 0.02 0.00 0.00 55.36 56.83 3i3t s GLN 41 Cb 0.11 -3.40 -0.01 0.00 1.00 0.00 0.00 33.01 30.71 3i3t s GLN 41 CO 0.52 0.15 -0.20 1.03 -2.12 0.00 0.00 175.29 174.66 3i3t s ARG 42 N 0.29 2.78 -0.17 2.91 0.52 -0.28 -5.01 118.95 119.99 3i3t s ARG 42 Ca 0.46 -0.82 -0.01 0.00 -0.52 0.00 0.00 55.73 54.85 3i3t s ARG 42 Cb -0.22 -2.32 -0.00 0.00 0.52 0.00 0.00 34.95 32.93 3i3t s ARG 42 CO 0.27 0.37 -0.12 -0.51 0.02 0.00 0.00 175.30 175.32 3i3t s LEU 43 N -0.10 2.61 -0.12 2.53 2.01 -1.26 -2.02 118.68 122.33 3i3t s LEU 43 Ca -0.04 -0.43 -0.00 0.00 0.01 0.00 0.00 54.13 53.67 3i3t s LEU 43 Cb -0.14 -1.61 -0.02 0.00 0.01 0.00 0.00 46.19 44.43 3i3t s LEU 43 CO 0.04 0.07 -0.11 -0.63 1.01 0.00 0.00 176.35 176.73 3i3t s ILE 44 N 0.90 3.25 -0.03 -0.59 1.01 -0.11 -1.08 121.20 124.54 3i3t s ILE 44 Ca -0.03 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3i3t s ILE 44 Cb -0.15 -2.36 0.01 0.00 0.01 0.00 0.00 42.46 39.97 3i3t s ILE 44 CO -0.01 0.53 -0.03 0.12 0.00 0.00 0.00 174.94 175.55 3i3t s PHE 45 N 0.16 0.53 -1.73 3.97 5.36 -0.12 0.08 117.98 126.23 3i3t s PHE 45 Ca -0.06 -0.11 -0.20 0.00 -0.96 0.00 0.00 56.93 55.61 3i3t s PHE 45 Cb -0.15 -0.47 0.17 0.00 -0.34 0.00 0.00 43.02 42.24 3i3t s PHE 45 CO 0.04 -0.11 0.77 0.00 -1.46 0.00 0.00 175.22 174.47 3i3t n ALA 46 N 3.70 -1.24 -0.51 11.12 0.00 -1.26 -0.22 120.51 132.09 3i3t n ALA 46 Ca -0.22 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3i3t n ALA 46 Cb 0.53 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.57 3i3t n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3t n GLY 47 N -1.34 1.39 3.61 0.00 0.00 -1.26 -5.01 105.19 102.58 3i3t n GLY 47 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3i3t n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3t s LYS 48 N -0.22 2.78 -0.07 1.61 1.02 0.69 -5.09 119.74 120.46 3i3t s LYS 48 Ca 0.00 -0.54 -0.21 0.00 0.02 0.00 0.00 55.97 55.24 3i3t s LYS 48 Cb 0.00 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.64 3i3t s LYS 48 CO 0.00 0.66 0.62 -1.14 -0.92 0.00 0.00 175.35 174.57 3i3t s GLN 49 N -0.94 4.39 0.14 1.68 0.74 -1.26 -0.94 119.66 123.47 3i3t s GLN 49 Ca 0.14 0.73 -0.27 0.00 0.05 0.00 0.00 55.36 56.01 3i3t s GLN 49 Cb -0.11 -3.42 -0.07 0.00 1.10 0.00 0.00 33.01 30.50 3i3t s GLN 49 CO 0.03 0.15 0.83 -0.51 -0.55 0.00 0.00 175.29 175.24 3i3t s LEU 50 N 0.55 4.56 -0.12 3.68 1.02 -0.24 -4.99 118.68 123.13 3i3t s LEU 50 Ca 0.33 1.68 -0.09 0.00 0.02 0.00 0.00 54.13 56.06 3i3t s LEU 50 Cb -0.17 -3.38 -0.05 0.00 0.02 0.00 0.00 46.19 42.61 3i3t s LEU 50 CO 0.16 0.11 0.19 -1.61 0.02 0.00 0.00 176.35 175.22 3i3t s GLU 51 N -0.71 3.75 0.22 1.70 2.02 -1.26 -4.70 118.70 119.72 3i3t s GLU 51 Ca 0.39 -0.05 -0.32 0.00 0.02 0.00 0.00 54.97 55.02 3i3t s GLU 51 Cb -0.23 -3.27 -0.12 0.00 0.10 0.00 0.00 34.13 30.61 3i3t s GLU 51 CO 0.27 0.61 1.66 -0.25 0.02 0.00 0.00 175.26 177.57 3i3t n ASP 52 N 2.45 3.75 0.00 -0.19 8.00 -1.26 -2.26 116.55 127.05 3i3t n ASP 52 Ca -0.17 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.41 3i3t n ASP 52 Cb 0.54 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 3i3t n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i3t n GLY 53 N 3.43 1.74 3.95 0.44 0.00 -1.26 -4.99 105.19 108.50 3i3t n GLY 53 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3i3t n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3t s ARG 54 N -0.05 1.54 0.29 1.61 1.81 -0.96 -4.91 118.95 118.29 3i3t s ARG 54 Ca 0.00 -0.52 0.11 0.00 -1.72 0.00 0.00 55.73 53.61 3i3t s ARG 54 Cb 0.00 -2.10 -0.05 0.00 -0.45 0.00 0.00 34.95 32.35 3i3t s ARG 54 CO 0.00 -1.69 -0.14 0.95 -0.68 0.00 0.00 175.30 173.74 3i3t s THR 55 N -3.44 2.62 0.35 0.02 -4.23 -1.26 -1.97 115.64 107.74 3i3t s THR 55 Ca 0.66 -2.27 0.13 0.00 -1.18 0.00 0.00 61.69 59.04 3i3t s THR 55 Cb -0.07 -2.48 0.35 0.00 1.34 0.00 0.00 72.50 71.64 3i3t s THR 55 CO 0.47 -0.35 1.76 -0.07 -0.54 0.00 0.00 174.62 175.89 3i3t h LEU 56 N 2.14 0.59 -0.42 4.79 4.07 -1.36 -0.95 115.31 124.16 3i3t h LEU 56 Ca -0.41 0.10 0.07 0.00 0.08 0.00 0.00 57.88 57.72 3i3t h LEU 56 Cb 1.26 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.95 3i3t h LEU 56 CO 0.62 0.13 0.06 -1.28 -1.08 0.00 0.00 178.44 176.89 3i3t h SER 57 N 0.53 -0.04 -0.02 -0.43 0.87 -0.76 -0.56 113.55 113.13 3i3t h SER 57 Ca 0.61 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 61.25 3i3t h SER 57 Cb 1.29 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.37 3i3t h SER 57 CO -0.37 0.01 0.03 0.44 -0.53 0.00 0.00 176.83 176.41 3i3t h ASP 58 N 0.18 0.00 -0.00 6.23 3.32 -1.45 -1.05 116.42 123.65 3i3t h ASP 58 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3i3t h ASP 58 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3i3t h ASP 58 CO -0.29 0.00 -0.69 -1.22 -1.72 0.00 0.00 179.24 175.32 3i3t n TYR 59 N -3.89 0.00 -2.67 4.55 4.01 -1.19 -4.99 117.16 112.99 3i3t n TYR 59 Ca -0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.68 3i3t n TYR 59 Cb 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.16 3i3t n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3i3t n ASN 60 N -0.95 -2.71 -4.57 7.72 2.85 -0.40 -4.99 115.26 112.21 3i3t n ASN 60 Ca 0.05 -0.09 -0.43 0.00 -0.11 0.00 0.00 54.58 54.00 3i3t n ASN 60 Cb 0.32 -1.27 -0.04 0.00 1.24 0.00 0.00 39.78 40.04 3i3t n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3i3t s ILE 61 N -3.05 4.46 0.54 -1.44 1.01 -0.24 -5.00 121.20 117.48 3i3t s ILE 61 Ca 0.10 0.75 0.08 0.00 0.00 0.00 0.00 60.65 61.58 3i3t s ILE 61 Cb -0.04 -4.44 0.06 0.00 0.01 0.00 0.00 42.46 38.04 3i3t s ILE 61 CO 0.12 -0.85 0.61 -1.10 0.00 0.00 0.00 174.94 173.72 3i3t s GLN 62 N 3.79 2.33 0.20 2.79 -1.52 -1.26 -4.66 119.66 121.33 3i3t s GLN 62 Ca 0.37 -1.75 -0.31 0.00 -1.95 0.00 0.00 55.36 51.73 3i3t s GLN 62 Cb -0.10 -2.44 -0.16 0.00 -0.22 0.00 0.00 33.01 30.09 3i3t s GLN 62 CO 0.26 -0.69 0.94 1.17 -0.25 0.00 0.00 175.29 176.73 3i3t n LYS 63 N -2.00 0.82 -0.99 2.91 4.81 -1.26 -2.17 118.16 120.29 3i3t n LYS 63 Ca 0.08 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 3i3t n LYS 63 Cb 0.62 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 34.05 3i3t n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3i3t n GLU 64 N 1.23 -1.36 -1.76 1.64 1.02 -0.00 -5.01 120.64 116.40 3i3t n GLU 64 Ca 0.15 0.34 -0.38 0.00 -0.02 0.00 0.00 57.16 57.25 3i3t n GLU 64 Cb 0.26 -4.40 0.05 0.00 -0.02 0.00 0.00 31.44 27.33 3i3t n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3i3t s SER 65 N -2.01 5.10 -0.24 1.62 0.01 -0.92 -4.74 113.70 112.52 3i3t s SER 65 Ca 0.00 2.76 -0.05 0.00 1.31 0.00 0.00 55.95 59.97 3i3t s SER 65 Cb 0.00 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 3i3t s SER 65 CO 0.00 -1.68 0.00 -0.89 0.41 0.00 0.00 173.24 171.08 3i3t s THR 66 N -1.31 3.66 -0.04 1.44 2.01 -1.26 -0.84 115.64 119.30 3i3t s THR 66 Ca 0.74 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 62.15 3i3t s THR 66 Cb -0.40 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 3i3t s THR 66 CO 0.47 0.34 0.30 -0.76 -0.69 0.00 0.00 174.62 174.28 3i3t s LEU 67 N 1.51 4.44 -0.18 4.42 1.02 0.66 -4.75 118.68 125.80 3i3t s LEU 67 Ca 0.05 0.77 -0.06 0.00 0.02 0.00 0.00 54.13 54.91 3i3t s LEU 67 Cb -0.15 -2.39 -0.04 0.00 0.02 0.00 0.00 46.19 43.63 3i3t s LEU 67 CO -0.01 0.36 0.03 -1.00 0.02 0.00 0.00 176.35 175.75 3i3t s HIS 68 N -1.07 3.17 -0.15 0.29 3.76 0.11 -0.85 115.29 120.54 3i3t s HIS 68 Ca 0.21 -0.09 -0.11 0.00 -0.15 0.00 0.00 55.06 54.92 3i3t s HIS 68 Cb -0.15 -2.06 -0.05 0.00 1.11 0.00 0.00 32.58 31.44 3i3t s HIS 68 CO 0.10 0.05 0.22 -1.17 -0.85 0.00 0.00 174.74 173.09 3i3t s LEU 69 N 0.48 4.28 0.05 0.89 2.96 -0.02 -0.93 118.68 126.38 3i3t s LEU 69 Ca 0.01 0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 54.26 3i3t s LEU 69 Cb -0.13 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.32 3i3t s LEU 69 CO 0.01 0.20 0.20 0.68 -1.32 0.00 0.00 176.35 176.12 3i3t s VAL 70 N 0.05 0.11 0.00 1.68 -7.23 -0.86 -4.50 120.40 109.65 3i3t s VAL 70 Ca 0.14 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 3i3t s VAL 70 Cb -0.12 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 35.86 3i3t s VAL 70 CO 0.03 -0.51 0.00 0.18 -0.31 0.00 0.00 175.10 174.49 3i3t n LEU 71 N 0.60 0.00 -4.49 1.32 4.77 -1.26 -1.13 117.00 116.81 3i3t n LEU 71 Ca -0.18 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.48 3i3t n LEU 71 Cb 0.59 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.56 3i3t n LEU 71 CO 0.22 -0.03 -0.46 -0.13 -1.33 0.00 0.00 177.39 175.66 3i3t s ARG 72 N 1.59 2.31 -0.48 3.23 0.52 -1.26 -4.85 118.95 120.01 3i3t s ARG 72 Ca 0.00 -0.83 0.04 0.00 -0.52 0.00 0.00 55.73 54.41 3i3t s ARG 72 Cb 0.00 -2.31 0.12 0.00 0.52 0.00 0.00 34.95 33.29 3i3t s ARG 72 CO 0.00 0.58 0.22 -1.17 0.02 0.00 0.00 175.30 174.95 3i3t s LEU 73 N -1.19 4.26 0.28 2.53 2.96 -1.26 -5.09 118.68 121.17 3i3t s LEU 73 Ca 0.14 -2.83 -0.29 0.00 -0.22 0.00 0.00 54.13 50.93 3i3t s LEU 73 Cb -0.11 -1.59 -0.10 0.00 0.50 0.00 0.00 46.19 44.90 3i3t s LEU 73 CO 0.04 -0.26 1.30 -0.13 -1.32 0.00 0.00 176.35 175.98 3i3t s ARG 74 N -0.03 4.39 0.00 1.98 0.52 -1.26 -5.36 118.95 119.19 3i3t s ARG 74 Ca 0.16 2.13 0.00 0.00 -0.52 0.00 0.00 55.73 57.50 3i3t s ARG 74 Cb -0.25 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.10 3i3t s ARG 74 CO -0.02 -0.18 0.11 0.41 0.02 0.00 0.00 175.30 175.64