#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3v s VAL 2 N 0.00 0.74 -0.10 5.09 -7.23 -1.26 -4.13 120.40 113.51 1i3v s VAL 2 Ca 0.00 -0.93 -0.01 0.00 -1.81 0.00 0.00 61.98 59.23 1i3v s VAL 2 Cb 0.00 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.19 1i3v s VAL 2 CO 0.00 -0.17 -0.06 -1.10 -0.31 0.00 0.00 175.10 173.46 1i3v s GLN 3 N -1.21 3.09 -0.01 4.82 -0.21 -0.15 -4.87 119.66 121.11 1i3v s GLN 3 Ca -0.04 -0.54 0.07 0.00 0.02 0.00 0.00 55.36 54.87 1i3v s GLN 3 Cb -0.08 -2.70 -0.02 0.00 1.00 0.00 0.00 33.01 31.21 1i3v s GLN 3 CO 0.01 0.51 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.95 1i3v s LEU 4 N -0.38 2.05 -0.05 2.90 1.43 -1.26 -0.99 118.68 122.38 1i3v s LEU 4 Ca 0.06 -0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1i3v s LEU 4 Cb -0.12 -1.15 0.03 0.00 0.03 0.00 0.00 46.19 44.98 1i3v s LEU 4 CO 0.02 0.27 0.05 -1.58 0.23 0.00 0.00 176.35 175.34 1i3v s GLN 5 N -0.58 0.04 0.46 1.70 2.00 -0.27 -3.88 119.66 119.14 1i3v s GLN 5 Ca 0.09 0.33 -0.05 0.00 -2.00 0.00 0.00 55.36 53.73 1i3v s GLN 5 Cb -0.09 -0.59 -0.04 0.00 0.80 0.00 0.00 33.01 33.10 1i3v s GLN 5 CO -0.01 -0.32 0.76 -1.21 -0.50 0.00 0.00 175.29 174.01 1i3v s GLU 6 N 2.12 3.54 0.06 1.67 8.01 -1.26 -1.56 118.70 131.28 1i3v s GLU 6 Ca 0.05 0.15 -0.27 0.00 0.01 0.00 0.00 54.97 54.91 1i3v s GLU 6 Cb -0.12 -2.41 0.09 0.00 -4.31 0.00 0.00 34.13 27.38 1i3v s GLU 6 CO -0.03 -0.16 0.81 -1.54 0.01 0.00 0.00 175.26 174.35 1i3v s SER 7 N -4.06 -0.40 0.00 -0.19 1.04 -0.17 -4.83 113.70 105.10 1i3v s SER 7 Ca 0.47 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1i3v s SER 7 Cb -0.10 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1i3v s SER 7 CO 0.43 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1i3v n GLY 8 N -0.31 0.77 3.75 7.32 0.00 -1.26 -0.88 105.19 114.58 1i3v n GLY 8 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1i3v n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i3v s GLY 9 N -1.17 1.66 0.00 -0.02 0.00 -1.26 -4.74 107.32 101.78 1i3v s GLY 9 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1i3v s GLY 9 CO 0.00 0.60 0.00 0.61 0.00 0.00 0.00 173.10 174.31 1i3v n GLY 10 N -1.07 -1.43 3.65 0.20 0.00 -0.72 -4.94 105.19 100.88 1i3v n GLY 10 Ca 0.09 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 1i3v n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i3v s LEU 11 N 0.00 4.12 0.21 0.99 2.96 -1.26 -1.40 118.68 124.30 1i3v s LEU 11 Ca 0.00 0.45 0.04 0.00 -0.22 0.00 0.00 54.13 54.41 1i3v s LEU 11 Cb 0.00 -2.50 -0.05 0.00 0.50 0.00 0.00 46.19 44.14 1i3v s LEU 11 CO 0.00 -0.12 -0.03 0.54 -1.32 0.00 0.00 176.35 175.42 1i3v s VAL 12 N 1.59 1.12 0.23 1.68 0.11 0.21 -4.97 120.40 120.37 1i3v s VAL 12 Ca 0.18 -2.05 -0.03 0.00 -2.93 0.00 0.00 61.98 57.15 1i3v s VAL 12 Cb -0.15 -2.23 -0.05 0.00 -1.53 0.00 0.00 36.38 32.42 1i3v s VAL 12 CO 0.08 -0.43 0.45 -1.58 -3.33 0.00 0.00 175.10 170.30 1i3v s GLN 13 N -3.82 3.58 0.35 1.54 0.74 -1.26 -0.92 119.66 119.88 1i3v s GLN 13 Ca 0.26 -0.16 -0.29 0.00 0.05 0.00 0.00 55.36 55.22 1i3v s GLN 13 Cb 0.05 -2.76 -0.11 0.00 1.10 0.00 0.00 33.01 31.28 1i3v s GLN 13 CO 0.07 0.34 1.50 0.00 -0.55 0.00 0.00 175.29 176.65 1i3v s ALA 14 N -1.91 3.61 0.00 1.58 0.00 0.97 -1.89 121.76 124.12 1i3v s ALA 14 Ca 0.41 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.92 1i3v s ALA 14 Cb -0.11 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1i3v s ALA 14 CO 0.28 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.44 1i3v n GLY 15 N 0.87 3.03 3.90 0.00 0.00 0.98 -4.93 105.19 109.04 1i3v n GLY 15 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1i3v n GLY 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i3v s ASP 16 N -1.16 3.79 0.21 1.61 1.01 -0.79 -4.16 116.67 117.18 1i3v s ASP 16 Ca 0.00 0.57 0.11 0.00 0.71 0.00 0.00 52.55 53.93 1i3v s ASP 16 Cb 0.00 -0.87 -0.04 0.00 1.01 0.00 0.00 42.92 43.02 1i3v s ASP 16 CO 0.00 -2.34 -0.16 -0.44 0.21 0.00 0.00 175.17 172.44 1i3v s SER 17 N -4.67 3.84 0.00 0.27 0.01 -1.26 -2.02 113.70 109.88 1i3v s SER 17 Ca 0.67 -0.78 -0.07 0.00 1.31 0.00 0.00 55.95 57.08 1i3v s SER 17 Cb -0.08 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.68 1i3v s SER 17 CO 0.51 0.09 0.13 -0.22 0.41 0.00 0.00 173.24 174.16 1i3v s LEU 18 N -2.99 1.58 -0.20 2.44 2.96 -0.26 -4.99 118.68 117.22 1i3v s LEU 18 Ca 0.25 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1i3v s LEU 18 Cb -0.07 0.66 0.04 0.00 0.50 0.00 0.00 46.19 47.31 1i3v s LEU 18 CO 0.14 -0.37 -0.14 -0.75 -1.32 0.00 0.00 176.35 173.90 1i3v s LYS 19 N -1.40 2.46 0.13 1.98 2.20 -1.26 -0.30 119.74 123.53 1i3v s LYS 19 Ca -0.15 -0.91 -0.00 0.00 -0.36 0.00 0.00 55.97 54.55 1i3v s LYS 19 Cb -0.08 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 1i3v s LYS 19 CO 0.01 -0.35 0.29 -0.51 -0.36 0.00 0.00 175.35 174.43 1i3v s LEU 20 N 1.31 4.31 -0.01 5.43 1.43 0.40 -4.67 118.68 126.88 1i3v s LEU 20 Ca 0.00 0.32 0.07 0.00 -1.03 0.00 0.00 54.13 53.49 1i3v s LEU 20 Cb -0.15 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.01 1i3v s LEU 20 CO -0.10 0.08 -0.21 -0.44 0.23 0.00 0.00 176.35 175.91 1i3v s SER 21 N -2.83 2.49 -0.31 2.29 0.01 -0.06 -0.61 113.70 114.68 1i3v s SER 21 Ca 0.36 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 57.26 1i3v s SER 21 Cb -0.12 -0.27 0.09 0.00 0.21 0.00 0.00 66.02 65.93 1i3v s SER 21 CO 0.28 0.25 0.01 0.00 0.41 0.00 0.00 173.24 174.19 1i3v s GLU 23 N 1.01 3.60 0.07 0.00 2.12 -0.60 -1.53 118.70 123.37 1i3v s GLU 23 Ca 0.05 -0.29 -0.00 0.00 0.36 0.00 0.00 54.97 55.09 1i3v s GLU 23 Cb -0.19 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 1i3v s GLU 23 CO -0.08 0.53 0.23 0.00 -0.54 0.00 0.00 175.26 175.39 1i3v s ALA 24 N -0.34 3.99 0.02 6.30 0.00 -0.58 -1.11 121.76 130.04 1i3v s ALA 24 Ca 0.09 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.20 1i3v s ALA 24 Cb -0.12 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 1i3v s ALA 24 CO 0.02 0.81 0.04 -1.54 0.00 0.00 0.00 175.76 175.08 1i3v s SER 25 N -2.52 0.18 0.00 0.00 1.04 -0.16 -4.83 113.70 107.41 1i3v s SER 25 Ca 0.36 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1i3v s SER 25 Cb -0.13 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1i3v s SER 25 CO 0.28 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1i3v n GLY 26 N 1.36 2.73 3.82 7.32 0.00 -1.26 -0.98 105.19 118.17 1i3v n GLY 26 Ca -0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 1i3v n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i3v s ASP 27 N -1.49 -0.16 0.06 1.61 -1.08 -1.26 -4.86 116.67 109.49 1i3v s ASP 27 Ca 0.00 -0.63 -0.21 0.00 -0.52 0.00 0.00 52.55 51.19 1i3v s ASP 27 Cb 0.00 0.64 -0.06 0.00 -1.46 0.00 0.00 42.92 42.03 1i3v s ASP 27 CO 0.00 -1.20 0.61 -0.55 0.52 0.00 0.00 175.17 174.55 1i3v s SER 28 N -3.01 7.08 0.14 -0.34 0.15 -1.26 -4.88 113.70 111.59 1i3v s SER 28 Ca 0.13 1.28 0.23 0.00 0.70 0.00 0.00 55.95 58.30 1i3v s SER 28 Cb -0.04 -2.38 0.91 0.00 -1.71 0.00 0.00 66.02 62.79 1i3v s SER 28 CO 0.06 0.19 1.72 0.00 1.20 0.00 0.00 173.24 176.41 1i3v n ILE 29 N 2.12 0.65 0.32 6.45 3.06 -1.26 -3.81 119.36 126.89 1i3v n ILE 29 Ca -0.08 0.05 0.21 0.00 -2.50 0.00 0.00 62.75 60.43 1i3v n ILE 29 Cb 0.51 -0.85 1.10 0.00 0.54 0.00 0.00 39.64 40.94 1i3v n ILE 29 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1i3v h GLY 30 N 3.44 0.00 -2.06 4.50 0.00 -1.92 -2.78 103.07 104.26 1i3v h GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1i3v h GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 1i3v n THR 31 N -3.21 1.67 -5.05 4.70 -2.24 -1.25 -4.81 114.28 104.09 1i3v n THR 31 Ca -0.03 -1.32 -0.31 0.00 -2.27 0.00 0.00 64.05 60.13 1i3v n THR 31 Cb 0.11 0.15 -0.15 0.00 -2.10 0.00 0.00 70.33 68.34 1i3v n THR 31 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1i3v s TYR 32 N -1.82 2.38 0.19 4.78 2.02 -1.05 -4.87 117.35 118.98 1i3v s TYR 32 Ca 0.39 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 56.41 1i3v s TYR 32 Cb 0.26 -1.46 -0.08 0.00 -0.40 0.00 0.00 41.96 40.28 1i3v s TYR 32 CO 0.17 0.08 0.95 0.08 -1.57 0.00 0.00 175.55 175.26 1i3v s VAL 33 N -0.73 4.21 -0.07 0.71 1.01 0.35 -4.59 120.40 121.28 1i3v s VAL 33 Ca 0.11 2.06 0.04 0.00 0.00 0.00 0.00 61.98 64.19 1i3v s VAL 33 Cb -0.10 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 1i3v s VAL 33 CO 0.01 0.43 -0.18 -0.63 0.00 0.00 0.00 175.10 174.73 1i3v s ILE 34 N -0.73 2.71 0.13 2.22 -1.09 -1.03 -1.47 121.20 121.94 1i3v s ILE 34 Ca 0.43 -0.83 0.08 0.00 -2.23 0.00 0.00 60.65 58.10 1i3v s ILE 34 Cb -0.25 -2.06 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 1i3v s ILE 34 CO 0.31 0.57 -0.18 -0.83 -1.23 0.00 0.00 174.94 173.59 1i3v s GLY 35 N -0.26 1.24 -0.07 6.18 0.00 0.04 -1.07 107.32 113.38 1i3v s GLY 35 Ca 0.01 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.42 1i3v s GLY 35 CO 0.03 -1.38 -0.16 -0.98 0.00 0.00 0.00 173.10 170.60 1i3v s TRP 36 N -1.78 2.66 0.12 1.90 0.52 0.30 -0.75 118.94 121.92 1i3v s TRP 36 Ca 0.10 -0.36 0.02 0.00 0.02 0.00 0.00 56.10 55.88 1i3v s TRP 36 Cb -0.07 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 1i3v s TRP 36 CO 0.05 0.03 -0.06 -0.06 0.02 0.00 0.00 176.95 176.93 1i3v s PHE 37 N -0.41 1.03 0.05 -1.98 0.40 0.38 -0.10 117.98 117.36 1i3v s PHE 37 Ca 0.04 -0.91 -0.07 0.00 -0.60 0.00 0.00 56.93 55.40 1i3v s PHE 37 Cb -0.12 -0.58 -0.01 0.00 0.51 0.00 0.00 43.02 42.82 1i3v s PHE 37 CO 0.02 -0.12 0.13 -0.98 0.70 0.00 0.00 175.22 174.96 1i3v s ARG 38 N -3.84 0.67 -0.09 0.44 1.70 -0.50 0.06 118.95 117.40 1i3v s ARG 38 Ca 0.15 -0.82 -0.03 0.00 -0.47 0.00 0.00 55.73 54.57 1i3v s ARG 38 Cb 0.05 0.27 0.04 0.00 -0.57 0.00 0.00 34.95 34.73 1i3v s ARG 38 CO -0.02 -0.18 0.06 -1.14 -1.08 0.00 0.00 175.30 172.94 1i3v s GLN 39 N -3.01 0.09 0.43 3.89 0.74 -0.31 -1.21 119.66 120.28 1i3v s GLN 39 Ca -0.02 0.18 -0.23 0.00 0.05 0.00 0.00 55.36 55.34 1i3v s GLN 39 Cb 0.01 -1.00 -0.08 0.00 1.10 0.00 0.00 33.01 33.04 1i3v s GLN 39 CO -0.06 -0.43 1.08 0.00 -0.55 0.00 0.00 175.29 175.33 1i3v s ALA 40 N 2.12 3.01 0.10 1.58 0.00 -1.26 -2.30 121.76 125.01 1i3v s ALA 40 Ca 0.04 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.79 1i3v s ALA 40 Cb -0.13 -3.30 0.29 0.00 0.00 0.00 0.00 23.12 19.97 1i3v s ALA 40 CO -0.05 -0.37 0.45 -2.30 0.00 0.00 0.00 175.76 173.49 1i3v n PRO 41 N -0.35 -0.02 -0.39 0.00 -0.02 -1.26 -0.86 135.00 132.10 1i3v n PRO 41 Ca 0.06 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 62.01 1i3v n PRO 41 Cb 0.50 -0.70 0.06 0.00 -0.02 0.00 0.00 33.50 33.34 1i3v n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i3v n GLY 42 N -1.12 2.40 3.97 -1.23 0.00 -1.26 -5.09 105.19 102.86 1i3v n GLY 42 Ca 0.08 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 1i3v n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i3v s LYS 43 N -1.24 2.34 0.56 1.61 -0.14 -0.04 -5.11 119.74 117.72 1i3v s LYS 43 Ca 0.16 -1.76 -0.08 0.00 -1.36 0.00 0.00 55.97 52.93 1i3v s LYS 43 Cb 0.14 -2.41 -0.03 0.00 -1.68 0.00 0.00 37.83 33.85 1i3v s LYS 43 CO 0.00 -0.66 0.92 -1.83 -0.76 0.00 0.00 175.35 173.02 1i3v s GLU 44 N -4.44 3.49 -0.06 1.68 -1.05 -1.26 -4.65 118.70 112.41 1i3v s GLU 44 Ca 0.49 0.44 -0.30 0.00 -0.15 0.00 0.00 54.97 55.45 1i3v s GLU 44 Cb -0.04 -2.22 -0.03 0.00 -0.44 0.00 0.00 34.13 31.39 1i3v s GLU 44 CO 0.30 -0.44 1.26 0.50 0.95 0.00 0.00 175.26 177.83 1i3v s ARG 45 N -4.98 4.32 0.02 -4.83 3.52 -1.26 -4.52 118.95 111.21 1i3v s ARG 45 Ca 0.52 1.74 0.07 0.00 -0.13 0.00 0.00 55.73 57.92 1i3v s ARG 45 Cb -0.11 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 1i3v s ARG 45 CO 0.49 -0.52 -0.19 0.96 -0.81 0.00 0.00 175.30 175.23 1i3v s ILE 46 N 2.49 2.69 0.27 4.11 -4.36 -0.35 -4.85 121.20 121.21 1i3v s ILE 46 Ca 0.58 -1.10 -0.29 0.00 -0.26 0.00 0.00 60.65 59.57 1i3v s ILE 46 Cb -0.26 -2.09 -0.10 0.00 1.25 0.00 0.00 42.46 41.27 1i3v s ILE 46 CO 0.22 0.42 1.33 -0.47 0.24 0.00 0.00 174.94 176.68 1i3v s TYR 47 N -0.84 3.11 -0.05 1.37 6.14 -1.26 -1.41 117.35 124.42 1i3v s TYR 47 Ca 0.13 1.28 -0.03 0.00 0.64 0.00 0.00 57.07 59.09 1i3v s TYR 47 Cb -0.10 -3.68 -0.02 0.00 0.42 0.00 0.00 41.96 38.57 1i3v s TYR 47 CO 0.03 -2.02 -0.07 1.28 0.64 0.00 0.00 175.55 175.41 1i3v n LEU 48 N 1.67 0.50 -3.45 6.97 4.77 0.86 -4.75 117.00 123.57 1i3v n LEU 48 Ca 0.03 0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 1i3v n LEU 48 Cb 0.42 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1i3v n LEU 48 CO 0.59 0.03 0.44 0.00 -1.33 0.00 0.00 177.39 177.12 1i3v s ALA 49 N -2.11 -1.67 0.05 -1.18 0.00 -1.13 -1.00 121.76 114.72 1i3v s ALA 49 Ca -0.08 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.65 1i3v s ALA 49 Cb 0.03 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 1i3v s ALA 49 CO 0.10 -0.67 -0.09 0.95 0.00 0.00 0.00 175.76 176.05 1i3v s THR 50 N -3.08 0.64 -0.08 0.00 -4.23 -0.01 -0.54 115.64 108.34 1i3v s THR 50 Ca -0.01 -1.08 -0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1i3v s THR 50 Cb -0.01 -0.68 0.02 0.00 1.34 0.00 0.00 72.50 73.17 1i3v s THR 50 CO -0.07 -0.33 -0.05 -0.51 -0.54 0.00 0.00 174.62 173.12 1i3v s ILE 51 N -1.30 0.73 1.22 2.99 2.07 -0.23 -1.46 121.20 125.22 1i3v s ILE 51 Ca -0.08 -0.13 -0.18 0.00 -1.41 0.00 0.00 60.65 58.85 1i3v s ILE 51 Cb -0.10 -0.79 0.29 0.00 0.13 0.00 0.00 42.46 42.00 1i3v s ILE 51 CO 0.01 0.31 1.04 -0.83 -1.91 0.00 0.00 174.94 173.56 1i3v s GLY 52 N 1.62 1.52 0.00 1.50 0.00 0.19 -2.47 107.32 109.68 1i3v s GLY 52 Ca 0.01 -0.68 0.14 0.00 0.00 0.00 0.00 44.72 44.19 1i3v s GLY 52 CO -0.05 0.17 0.66 -0.96 0.00 0.00 0.00 173.10 172.92 1i3v n ARG 53 N -4.93 2.24 -3.79 2.90 1.85 -1.26 -4.56 116.66 109.10 1i3v n ARG 53 Ca 0.10 -0.32 -0.37 0.00 -1.00 0.00 0.00 57.85 56.26 1i3v n ARG 53 Cb 0.58 -1.17 -0.06 0.00 -1.05 0.00 0.00 32.46 30.76 1i3v n ARG 53 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1i3v s ASN 54 N -2.04 6.44 0.26 2.89 0.02 -1.26 -4.98 114.94 116.28 1i3v s ASN 54 Ca 0.08 0.53 -0.29 0.00 -1.02 0.00 0.00 52.86 52.15 1i3v s ASN 54 Cb 0.11 -2.11 -0.09 0.00 0.02 0.00 0.00 41.25 39.18 1i3v s ASN 54 CO 0.47 0.36 1.26 -0.76 0.02 0.00 0.00 177.10 178.45 1i3v s LEU 55 N -0.85 4.45 -0.04 0.60 2.01 -1.26 -2.65 118.68 120.93 1i3v s LEU 55 Ca 0.16 2.47 0.17 0.00 0.01 0.00 0.00 54.13 56.94 1i3v s LEU 55 Cb -0.13 -3.63 -0.25 0.00 0.01 0.00 0.00 46.19 42.19 1i3v s LEU 55 CO 0.05 -0.45 0.33 0.52 1.01 0.00 0.00 176.35 177.81 1i3v n VAL 56 N 1.69 0.16 -3.91 -1.59 0.31 0.27 -4.88 118.33 110.38 1i3v n VAL 56 Ca 0.02 -0.43 -0.10 0.00 -0.01 0.00 0.00 64.34 63.82 1i3v n VAL 56 Cb 0.43 0.01 -0.01 0.00 -0.91 0.00 0.00 33.84 33.36 1i3v n VAL 56 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1i3v s GLY 57 N -4.11 0.62 0.27 2.92 0.00 -1.04 -4.98 107.32 100.99 1i3v s GLY 57 Ca -0.06 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1i3v s GLY 57 CO 0.70 -0.50 1.72 -2.55 0.00 0.00 0.00 173.10 172.47 1i3v h PRO 58 N 2.06 0.46 -0.05 2.90 0.11 -2.03 -2.95 132.00 132.50 1i3v h PRO 58 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1i3v h PRO 58 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1i3v h PRO 58 CO 0.37 0.30 0.00 0.45 -0.21 0.00 0.00 178.00 178.91 1i3v n SER 59 N -4.99 2.34 -3.96 -2.05 2.88 -1.26 -5.01 113.62 101.56 1i3v n SER 59 Ca 0.19 -2.45 -0.25 0.00 -1.33 0.00 0.00 58.87 55.03 1i3v n SER 59 Cb 0.53 -0.21 -0.17 0.00 -0.75 0.00 0.00 64.21 63.62 1i3v n SER 59 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1i3v s ASP 60 N -1.72 1.77 0.38 -3.46 -0.00 -1.11 -5.06 116.67 107.46 1i3v s ASP 60 Ca 0.16 -0.27 -0.01 0.00 -0.00 0.00 0.00 52.55 52.43 1i3v s ASP 60 Cb 0.13 -0.77 -0.03 0.00 -0.00 0.00 0.00 42.92 42.25 1i3v s ASP 60 CO 0.03 -0.03 0.60 -0.36 -0.00 0.00 0.00 175.17 175.41 1i3v s PHE 61 N 1.06 3.52 0.40 4.23 0.40 -1.26 0.95 117.98 127.27 1i3v s PHE 61 Ca -0.08 0.46 -0.27 0.00 -0.60 0.00 0.00 56.93 56.45 1i3v s PHE 61 Cb -0.14 -1.99 -0.10 0.00 0.51 0.00 0.00 43.02 41.29 1i3v s PHE 61 CO -0.01 0.03 1.37 0.98 0.70 0.00 0.00 175.22 178.29 1i3v n TYR 62 N -1.89 2.54 -3.77 0.36 9.36 -1.08 -4.74 117.16 117.94 1i3v n TYR 62 Ca -0.03 0.48 -0.13 0.00 3.32 0.00 0.00 57.90 61.54 1i3v n TYR 62 Cb 0.56 -2.45 -0.13 0.00 -0.63 0.00 0.00 39.34 36.69 1i3v n TYR 62 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1i3v s THR 63 N -1.15 -0.03 0.01 2.97 2.01 -1.26 0.53 115.64 118.72 1i3v s THR 63 Ca 0.57 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.71 1i3v s THR 63 Cb -0.50 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 1i3v s THR 63 CO 0.61 0.04 -0.10 -0.13 -0.69 0.00 0.00 174.62 174.35 1i3v s ARG 64 N 0.78 0.72 0.07 4.92 0.52 -0.54 -4.99 118.95 120.44 1i3v s ARG 64 Ca -0.06 -0.50 0.05 0.00 -0.52 0.00 0.00 55.73 54.71 1i3v s ARG 64 Cb -0.07 -0.68 -0.03 0.00 0.52 0.00 0.00 34.95 34.69 1i3v s ARG 64 CO -0.04 0.17 -0.13 0.71 0.02 0.00 0.00 175.30 176.03 1i3v s TYR 65 N -0.56 1.15 0.40 -0.53 2.02 -1.26 -0.83 117.35 117.74 1i3v s TYR 65 Ca 0.01 -0.46 -0.20 0.00 -0.37 0.00 0.00 57.07 56.04 1i3v s TYR 65 Cb -0.06 -0.65 -0.10 0.00 -0.40 0.00 0.00 41.96 40.75 1i3v s TYR 65 CO 0.00 0.04 0.91 0.00 -1.57 0.00 0.00 175.55 174.93 1i3v s ALA 66 N -1.27 3.11 0.26 3.71 0.00 -0.17 -4.82 121.76 122.58 1i3v s ALA 66 Ca -0.03 0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.26 1i3v s ALA 66 Cb -0.10 -3.08 0.57 0.00 0.00 0.00 0.00 23.12 20.52 1i3v s ALA 66 CO 0.02 0.17 1.71 -0.44 0.00 0.00 0.00 175.76 177.22 1i3v h ASP 67 N 2.10 0.25 0.02 0.00 3.32 -1.94 -0.82 116.42 119.35 1i3v h ASP 67 Ca -0.49 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1i3v h ASP 67 Cb 1.18 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1i3v h ASP 67 CO 0.62 0.04 0.00 0.77 -1.72 0.00 0.00 179.24 178.95 1i3v h SER 68 N 0.40 0.00 0.00 6.45 4.64 -1.96 -3.20 113.55 119.88 1i3v h SER 68 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1i3v h SER 68 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1i3v h SER 68 CO -0.48 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 176.81 1i3v n VAL 69 N -2.88 0.00 -1.69 0.95 0.24 -0.71 -4.98 118.33 109.26 1i3v n VAL 69 Ca -0.03 -0.33 -0.44 0.00 -2.04 0.00 0.00 64.34 61.50 1i3v n VAL 69 Cb 0.07 1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.44 1i3v n VAL 69 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1i3v n LYS 70 N -0.61 2.17 0.00 7.34 4.81 -0.40 -0.71 118.16 130.77 1i3v n LYS 70 Ca 0.00 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1i3v n LYS 70 Cb 0.01 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 32.61 1i3v n LYS 70 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i3v n GLY 71 N 1.99 3.01 0.05 3.14 0.00 -1.26 -4.76 105.19 107.36 1i3v n GLY 71 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 1i3v n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i3v n ARG 72 N -0.56 1.88 -4.31 1.61 1.74 0.11 -5.01 116.66 112.13 1i3v n ARG 72 Ca 0.00 -0.02 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 1i3v n ARG 72 Cb 0.00 -1.31 -0.10 0.00 -1.02 0.00 0.00 32.46 30.03 1i3v n ARG 72 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1i3v s PHE 73 N -2.35 2.81 -0.04 -1.55 0.40 -0.69 -1.31 117.98 115.25 1i3v s PHE 73 Ca -0.06 -0.11 -0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1i3v s PHE 73 Cb 0.04 -1.50 0.03 0.00 0.51 0.00 0.00 43.02 42.10 1i3v s PHE 73 CO 0.49 0.41 0.01 0.00 0.70 0.00 0.00 175.22 176.83 1i3v s ALA 74 N -1.15 0.41 -0.11 5.36 0.00 -0.49 -4.83 121.76 120.95 1i3v s ALA 74 Ca 0.20 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 1i3v s ALA 74 Cb -0.11 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1i3v s ALA 74 CO 0.12 -0.25 0.07 0.54 0.00 0.00 0.00 175.76 176.24 1i3v s VAL 75 N 1.48 4.92 0.08 0.00 0.11 -1.26 -0.49 120.40 125.25 1i3v s VAL 75 Ca -0.03 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 1i3v s VAL 75 Cb -0.13 -3.13 -0.04 0.00 -1.53 0.00 0.00 36.38 31.55 1i3v s VAL 75 CO -0.03 0.59 -0.04 -0.94 -3.33 0.00 0.00 175.10 171.35 1i3v s SER 76 N -0.79 0.83 -0.12 3.54 1.04 -0.38 -4.97 113.70 112.85 1i3v s SER 76 Ca 0.13 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 55.58 1i3v s SER 76 Cb -0.12 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1i3v s SER 76 CO 0.03 -0.54 -0.23 -0.60 0.98 0.00 0.00 173.24 172.89 1i3v s ARG 77 N -3.88 3.05 -0.46 4.02 3.52 -1.26 -0.44 118.95 123.50 1i3v s ARG 77 Ca 0.10 -0.86 0.03 0.00 -0.13 0.00 0.00 55.73 54.87 1i3v s ARG 77 Cb 0.07 -2.37 0.13 0.00 -1.56 0.00 0.00 34.95 31.21 1i3v s ARG 77 CO -0.07 0.10 0.23 0.34 -0.81 0.00 0.00 175.30 175.09 1i3v s ASP 78 N 0.55 3.99 0.32 -2.12 -1.08 0.58 -4.96 116.67 113.94 1i3v s ASP 78 Ca -0.14 -2.72 0.01 0.00 -0.52 0.00 0.00 52.55 49.18 1i3v s ASP 78 Cb -0.17 -1.30 0.54 0.00 -1.46 0.00 0.00 42.92 40.53 1i3v s ASP 78 CO 0.04 -0.26 1.95 0.78 0.52 0.00 0.00 175.17 178.20 1i3v h ASN 79 N 6.73 0.77 -0.48 -0.34 -0.26 -1.96 -1.44 115.58 118.61 1i3v h ASN 79 Ca -0.05 -0.05 0.09 0.00 -0.56 0.00 0.00 56.30 55.73 1i3v h ASN 79 Cb 0.92 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.96 1i3v h ASN 79 CO 0.57 0.62 0.33 0.00 -1.06 0.00 0.00 177.43 177.88 1i3v h ALA 80 N 1.51 2.12 -0.52 -0.83 0.00 -1.93 -0.55 119.26 119.06 1i3v h ALA 80 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1i3v h ALA 80 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i3v h ALA 80 CO -0.04 -0.22 0.00 1.63 0.00 0.00 0.00 179.25 180.62 1i3v n LYS 81 N -4.46 2.85 -3.86 0.00 5.02 -0.79 -4.96 118.16 111.96 1i3v n LYS 81 Ca 0.07 -2.35 -0.27 0.00 -2.02 0.00 0.00 58.31 53.74 1i3v n LYS 81 Cb 0.37 -1.43 0.02 0.00 -0.02 0.00 0.00 35.03 33.97 1i3v n LYS 81 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1i3v n ASN 82 N 0.98 -3.09 -3.96 4.39 5.15 -0.22 -4.87 115.26 113.63 1i3v n ASN 82 Ca 0.18 -0.82 -0.11 0.00 -0.60 0.00 0.00 54.58 53.22 1i3v n ASN 82 Cb 0.53 -3.83 -0.12 0.00 -0.53 0.00 0.00 39.78 35.83 1i3v n ASN 82 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1i3v s THR 83 N -3.49 0.18 -0.04 -0.44 2.01 -0.63 -1.53 115.64 111.71 1i3v s THR 83 Ca 0.38 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.80 1i3v s THR 83 Cb -0.19 -0.26 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 1i3v s THR 83 CO 0.83 -0.29 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.57 1i3v s VAL 84 N -0.93 1.73 0.25 3.82 1.01 -0.58 -0.31 120.40 125.38 1i3v s VAL 84 Ca -0.09 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.09 1i3v s VAL 84 Cb -0.07 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1i3v s VAL 84 CO -0.00 0.49 -0.07 0.20 0.00 0.00 0.00 175.10 175.71 1i3v s ASN 85 N -0.15 4.26 -0.21 3.32 -0.87 0.42 -1.10 114.94 120.61 1i3v s ASN 85 Ca -0.01 -0.71 -0.01 0.00 -1.57 0.00 0.00 52.86 50.56 1i3v s ASN 85 Cb -0.12 -0.70 0.06 0.00 -0.02 0.00 0.00 41.25 40.48 1i3v s ASN 85 CO 0.02 0.04 -0.01 -0.22 -2.57 0.00 0.00 177.10 174.36 1i3v s LEU 86 N -3.40 1.92 -0.16 0.60 2.96 0.22 -1.25 118.68 119.57 1i3v s LEU 86 Ca 0.29 -1.00 -0.21 0.00 -0.22 0.00 0.00 54.13 52.99 1i3v s LEU 86 Cb -0.07 -0.91 -0.03 0.00 0.50 0.00 0.00 46.19 45.68 1i3v s LEU 86 CO 0.18 -0.27 0.63 -1.58 -1.32 0.00 0.00 176.35 173.99 1i3v s GLN 87 N 1.61 4.27 -0.23 1.98 2.00 0.36 -0.45 119.66 129.20 1i3v s GLN 87 Ca -0.03 0.66 0.02 0.00 -2.00 0.00 0.00 55.36 54.01 1i3v s GLN 87 Cb -0.18 -3.54 0.05 0.00 0.80 0.00 0.00 33.01 30.14 1i3v s GLN 87 CO -0.07 -0.15 -0.14 -1.64 -0.50 0.00 0.00 175.29 172.80 1i3v s MET 88 N 1.58 2.46 0.25 1.67 -1.94 0.58 -1.40 119.30 122.51 1i3v s MET 88 Ca 0.30 -1.17 0.07 0.00 -1.71 0.00 0.00 55.69 53.19 1i3v s MET 88 Cb -0.16 -2.77 -0.04 0.00 2.01 0.00 0.00 34.83 33.87 1i3v s MET 88 CO 0.12 -0.45 0.17 -0.80 -0.01 0.00 0.00 175.02 174.05 1i3v s ASN 89 N 1.17 5.42 -1.20 3.03 0.01 -0.42 -1.10 114.94 121.85 1i3v s ASN 89 Ca -0.04 -0.29 -0.28 0.00 -0.71 0.00 0.00 52.86 51.54 1i3v s ASN 89 Cb -0.18 -1.35 0.02 0.00 0.41 0.00 0.00 41.25 40.16 1i3v s ASN 89 CO -0.08 -0.03 0.71 -1.20 -1.51 0.00 0.00 177.10 175.00 1i3v n SER 90 N -1.11 -4.43 -4.77 -1.22 7.64 -1.19 -4.80 113.62 103.74 1i3v n SER 90 Ca -0.08 -1.18 -0.38 0.00 1.01 0.00 0.00 58.87 58.23 1i3v n SER 90 Cb 0.58 -2.37 -0.01 0.00 -1.01 0.00 0.00 64.21 61.39 1i3v n SER 90 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1i3v s LEU 91 N -7.07 4.16 0.33 -3.43 1.43 -0.85 -4.68 118.68 108.58 1i3v s LEU 91 Ca 0.47 2.46 0.09 0.00 -1.03 0.00 0.00 54.13 56.13 1i3v s LEU 91 Cb -0.22 -4.02 -0.06 0.00 0.03 0.00 0.00 46.19 41.91 1i3v s LEU 91 CO 0.93 -0.81 -0.09 -0.54 0.23 0.00 0.00 176.35 176.07 1i3v s LYS 92 N -2.35 1.78 0.52 1.70 1.02 -1.26 -0.02 119.74 121.13 1i3v s LYS 92 Ca 0.58 -1.91 0.17 0.00 0.02 0.00 0.00 55.97 54.83 1i3v s LYS 92 Cb -0.33 -1.63 1.28 0.00 -0.52 0.00 0.00 37.83 36.62 1i3v s LYS 92 CO 0.42 0.13 2.14 -1.35 -0.92 0.00 0.00 175.35 175.77 1i3v h PRO 93 N 2.06 0.00 0.00 -1.68 0.11 -1.88 -0.10 132.00 130.52 1i3v h PRO 93 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1i3v h PRO 93 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1i3v h PRO 93 CO 0.70 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.88 1i3v n GLU 94 N -4.53 0.10 0.00 1.05 1.02 -1.26 -1.54 120.64 115.48 1i3v n GLU 94 Ca -0.02 0.23 0.13 0.00 -0.02 0.00 0.00 57.16 57.48 1i3v n GLU 94 Cb 0.12 -1.50 0.39 0.00 -0.02 0.00 0.00 31.44 30.43 1i3v n GLU 94 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1i3v n ASP 95 N -1.32 1.34 -4.71 1.62 8.00 -0.05 -4.89 116.55 116.53 1i3v n ASP 95 Ca 0.04 -1.18 -0.42 0.00 0.71 0.00 0.00 54.79 53.94 1i3v n ASP 95 Cb 0.07 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 1i3v n ASP 95 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i3v s THR 96 N -2.31 2.42 0.00 -3.53 2.01 -0.59 -4.88 115.64 108.75 1i3v s THR 96 Ca 0.29 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.52 1i3v s THR 96 Cb 0.20 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.55 1i3v s THR 96 CO 0.45 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.40 1i3v n ALA 97 N 4.31 0.00 -2.77 7.40 0.00 -0.63 -4.56 120.51 124.26 1i3v n ALA 97 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.24 1i3v n ALA 97 Cb 0.37 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.74 1i3v n ALA 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1i3v s VAL 98 N -2.00 5.30 -0.10 0.00 1.01 -0.97 -1.06 120.40 122.57 1i3v s VAL 98 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 1i3v s VAL 98 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1i3v s VAL 98 CO 0.00 0.47 0.01 -0.31 0.00 0.00 0.00 175.10 175.27 1i3v s TYR 99 N 0.12 3.17 0.06 5.22 1.51 0.77 -1.17 117.35 127.03 1i3v s TYR 99 Ca 0.08 0.14 0.05 0.00 -1.01 0.00 0.00 57.07 56.33 1i3v s TYR 99 Cb -0.11 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.87 1i3v s TYR 99 CO -0.01 0.39 -0.15 0.71 -1.11 0.00 0.00 175.55 175.39 1i3v s TYR 100 N -0.62 1.26 0.16 2.71 1.51 0.11 -1.18 117.35 121.30 1i3v s TYR 100 Ca 0.10 -0.41 0.08 0.00 -1.01 0.00 0.00 57.07 55.84 1i3v s TYR 100 Cb -0.12 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 1i3v s TYR 100 CO 0.02 0.05 -0.07 0.00 -1.11 0.00 0.00 175.55 174.45 1i3v s ALA 102 N -1.61 0.59 -0.01 0.00 0.00 0.07 -1.56 121.76 119.25 1i3v s ALA 102 Ca 0.25 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1i3v s ALA 102 Cb -0.09 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 1i3v s ALA 102 CO 0.16 -0.45 -0.11 0.00 0.00 0.00 0.00 175.76 175.36 1i3v s ALA 103 N -3.98 0.91 0.16 0.00 0.00 0.42 -0.78 121.76 118.49 1i3v s ALA 103 Ca 0.16 -0.46 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 1i3v s ALA 103 Cb 0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1i3v s ALA 103 CO -0.04 0.21 0.07 -1.59 0.00 0.00 0.00 175.76 174.41 1i3v s LYS 104 N -0.21 1.04 0.00 0.00 -2.85 -0.54 -1.62 119.74 115.56 1i3v s LYS 104 Ca 0.03 -1.52 0.14 0.00 -1.00 0.00 0.00 55.97 53.62 1i3v s LYS 104 Cb -0.05 0.13 0.32 0.00 -2.06 0.00 0.00 37.83 36.18 1i3v s LYS 104 CO -0.00 -0.27 1.23 0.25 0.10 0.00 0.00 175.35 176.66 1i3v n THR 105 N -0.18 0.76 -4.20 3.79 -2.24 -1.26 -0.50 114.28 110.45 1i3v n THR 105 Ca -0.04 -0.88 -0.12 0.00 -2.27 0.00 0.00 64.05 60.74 1i3v n THR 105 Cb 0.64 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 69.46 1i3v n THR 105 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1i3v s THR 106 N -1.04 0.87 -0.63 4.28 -4.23 -1.26 -4.93 115.64 108.70 1i3v s THR 106 Ca 0.26 -1.98 0.25 0.00 -1.18 0.00 0.00 61.69 59.03 1i3v s THR 106 Cb 0.14 -1.76 0.14 0.00 1.34 0.00 0.00 72.50 72.36 1i3v s THR 106 CO 0.19 -0.82 1.46 0.71 -0.54 0.00 0.00 174.62 175.62 1i3v h THR 107 N 2.89 0.00 -4.11 3.99 1.35 -2.02 -3.47 112.91 111.54 1i3v h THR 107 Ca -0.36 -0.55 -0.45 0.00 -0.55 0.00 0.00 66.41 64.51 1i3v h THR 107 Cb 1.18 1.27 0.15 0.00 -1.73 0.00 0.00 68.15 69.02 1i3v h THR 107 CO 0.64 0.00 0.36 0.26 -0.25 0.00 0.00 175.52 176.54 1i3v s TRP 108 N -3.16 1.87 0.00 4.73 0.52 -1.26 -4.34 118.94 117.30 1i3v s TRP 108 Ca 0.07 0.52 0.00 0.00 0.02 0.00 0.00 56.10 56.71 1i3v s TRP 108 Cb 0.12 -3.79 0.00 0.00 -1.15 0.00 0.00 33.47 28.66 1i3v s TRP 108 CO 0.68 -2.59 0.00 0.41 0.02 0.00 0.00 176.95 175.47 1i3v n GLY 109 N -3.05 2.81 2.90 0.98 0.00 -1.26 -4.93 105.19 102.64 1i3v n GLY 109 Ca 0.12 -0.70 -0.01 0.00 0.00 0.00 0.00 46.02 45.44 1i3v n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i3v n GLY 110 N 0.00 -2.55 2.31 -0.02 0.00 -1.26 -4.42 105.19 99.25 1i3v n GLY 110 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1i3v n GLY 110 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i3v n ASN 111 N 1.17 -3.56 -4.79 1.61 4.13 -1.26 -5.02 115.26 107.53 1i3v n ASN 111 Ca -0.05 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.90 1i3v n ASN 111 Cb 0.25 -1.24 -0.06 0.00 -1.54 0.00 0.00 39.78 37.19 1i3v n ASN 111 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1i3v s ASP 112 N -2.04 5.67 0.00 6.41 1.01 -1.26 -4.55 116.67 121.90 1i3v s ASP 112 Ca 0.00 0.07 0.23 0.00 0.71 0.00 0.00 52.55 53.56 1i3v s ASP 112 Cb 0.00 -1.58 1.05 0.00 1.01 0.00 0.00 42.92 43.40 1i3v s ASP 112 CO 0.00 0.20 1.72 -0.81 0.21 0.00 0.00 175.17 176.49 1i3v n PRO 113 N 0.63 1.46 -0.15 8.23 -0.04 -1.26 -4.28 135.00 139.59 1i3v n PRO 113 Ca -0.09 -0.68 -0.11 0.00 -0.04 0.00 0.00 63.50 62.58 1i3v n PRO 113 Cb 0.52 -1.41 -0.01 0.00 -0.04 0.00 0.00 33.50 32.56 1i3v n PRO 113 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1i3v h ASN 114 N 1.46 0.91 -1.55 3.54 2.35 -1.99 -3.37 115.58 116.94 1i3v h ASN 114 Ca 0.00 -0.39 -0.65 0.00 -0.55 0.00 0.00 56.30 54.71 1i3v h ASN 114 Cb 0.32 -0.25 -0.37 0.00 0.05 0.00 0.00 38.32 38.07 1i3v h ASN 114 CO 0.00 1.10 -0.06 0.59 -1.65 0.00 0.00 177.43 177.41 1i3v n ASN 115 N -4.21 5.83 -4.67 5.81 3.02 -1.26 -4.99 115.26 114.79 1i3v n ASN 115 Ca -0.01 -3.77 -0.35 0.00 -0.03 0.00 0.00 54.58 50.43 1i3v n ASN 115 Cb 0.42 -0.67 -0.09 0.00 -0.61 0.00 0.00 39.78 38.83 1i3v n ASN 115 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1i3v s TRP 116 N -3.74 3.22 0.03 3.10 0.52 -1.26 -4.94 118.94 115.87 1i3v s TRP 116 Ca 0.51 0.14 -0.23 0.00 0.02 0.00 0.00 56.10 56.54 1i3v s TRP 116 Cb 0.42 -1.90 -0.16 0.00 -1.15 0.00 0.00 33.47 30.68 1i3v s TRP 116 CO -0.23 0.35 1.40 -0.91 0.02 0.00 0.00 176.95 177.58 1i3v h ASN 117 N 5.74 0.18 -4.29 2.95 2.35 -1.69 -3.46 115.58 117.36 1i3v h ASN 117 Ca -0.45 -0.39 -0.44 0.00 -0.55 0.00 0.00 56.30 54.47 1i3v h ASN 117 Cb 1.19 -0.05 -0.26 0.00 0.05 0.00 0.00 38.32 39.25 1i3v h ASN 117 CO 0.60 0.53 -0.79 -0.31 -1.65 0.00 0.00 177.43 175.81 1i3v s TYR 118 N -4.66 1.19 0.07 1.19 1.51 -0.78 -4.99 117.35 110.88 1i3v s TYR 118 Ca -0.15 -0.32 0.05 0.00 -1.01 0.00 0.00 57.07 55.64 1i3v s TYR 118 Cb 0.04 -0.72 -0.03 0.00 -0.11 0.00 0.00 41.96 41.14 1i3v s TYR 118 CO 0.71 0.02 -0.15 -1.58 -1.11 0.00 0.00 175.55 173.44 1i3v s TRP 119 N -0.74 1.28 0.44 2.71 0.52 -1.26 -0.44 118.94 121.45 1i3v s TRP 119 Ca 0.02 -0.46 -0.04 0.00 0.02 0.00 0.00 56.10 55.65 1i3v s TRP 119 Cb -0.07 -0.72 0.09 0.00 -1.15 0.00 0.00 33.47 31.63 1i3v s TRP 119 CO 0.01 0.07 0.60 0.41 0.02 0.00 0.00 176.95 178.06 1i3v n GLY 120 N 1.26 -0.18 0.11 0.98 0.00 -0.60 -4.47 105.19 102.28 1i3v n GLY 120 Ca -0.21 -1.86 -0.00 0.00 0.00 0.00 0.00 46.02 43.95 1i3v n GLY 120 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1i3v h GLN 121 N 0.00 0.00 0.00 1.61 4.15 -1.90 -3.47 115.11 115.51 1i3v h GLN 121 Ca -0.20 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.22 1i3v h GLN 121 Cb 0.63 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.32 1i3v h GLN 121 CO 0.17 0.44 0.00 0.41 -1.93 0.00 0.00 178.83 177.92 1i3v n GLY 122 N 1.34 1.57 2.89 2.39 0.00 -1.26 -5.06 105.19 107.06 1i3v n GLY 122 Ca -0.05 -1.63 -0.18 0.00 0.00 0.00 0.00 46.02 44.15 1i3v n GLY 122 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i3v s THR 123 N -1.88 0.42 0.01 2.61 -1.32 -0.32 -4.80 115.64 110.35 1i3v s THR 123 Ca 0.00 -0.09 -0.28 0.00 -1.21 0.00 0.00 61.69 60.10 1i3v s THR 123 Cb 0.00 -0.44 -0.04 0.00 -1.51 0.00 0.00 72.50 70.51 1i3v s THR 123 CO 0.00 0.18 0.90 -1.58 -2.21 0.00 0.00 174.62 171.91 1i3v s GLN 124 N 0.70 4.55 -0.15 7.08 2.00 -1.26 -0.16 119.66 132.41 1i3v s GLN 124 Ca -0.08 1.27 0.01 0.00 -2.00 0.00 0.00 55.36 54.56 1i3v s GLN 124 Cb -0.12 -3.44 0.02 0.00 0.80 0.00 0.00 33.01 30.28 1i3v s GLN 124 CO -0.00 0.05 -0.16 0.08 -0.50 0.00 0.00 175.29 174.75 1i3v s VAL 125 N 0.71 1.71 -0.18 1.34 1.01 -0.22 -1.75 120.40 123.02 1i3v s VAL 125 Ca 0.47 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1i3v s VAL 125 Cb -0.21 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1i3v s VAL 125 CO 0.26 0.48 -0.20 -0.89 0.00 0.00 0.00 175.10 174.75 1i3v s THR 126 N 1.29 2.10 -0.36 3.92 2.01 -0.49 -1.61 115.64 122.50 1i3v s THR 126 Ca 0.02 -0.93 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 1i3v s THR 126 Cb -0.13 -1.88 0.03 0.00 0.01 0.00 0.00 72.50 70.53 1i3v s THR 126 CO -0.09 0.54 0.17 -0.69 -0.69 0.00 0.00 174.62 173.86 1i3v s VAL 127 N 1.25 4.33 0.48 3.82 1.01 -1.26 -0.62 120.40 129.42 1i3v s VAL 127 Ca 0.04 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.19 1i3v s VAL 127 Cb -0.13 -3.41 0.07 0.00 0.00 0.00 0.00 36.38 32.91 1i3v s VAL 127 CO -0.12 -0.19 0.59 -1.54 0.00 0.00 0.00 175.10 173.85 1i3v n SER 128 N 4.94 1.98 0.00 3.32 3.41 -0.09 -4.36 113.62 122.82 1i3v n SER 128 Ca -0.12 -2.39 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 1i3v n SER 128 Cb 0.46 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1i3v n SER 128 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34