#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 0.05 -0.08 5.09 1.01 -1.26 -4.11 120.40 121.10 1i3v s VAL 2 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1i3v s VAL 2 Cb 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 1i3v s VAL 2 CO 0.00 -0.24 -0.11 -1.10 0.00 0.00 0.00 175.10 173.65 1i3v s GLN 3 N -0.86 2.83 0.03 2.72 -0.21 -0.22 -4.89 119.66 119.06 1i3v s GLN 3 Ca -0.09 -0.63 0.09 0.00 0.02 0.00 0.00 55.36 54.74 1i3v s GLN 3 Cb -0.05 -2.53 -0.03 0.00 1.00 0.00 0.00 33.01 31.40 1i3v s GLN 3 CO 0.01 0.53 -0.26 -0.51 -2.12 0.00 0.00 175.29 172.95 1i3v s LEU 4 N -0.48 2.14 -0.07 2.90 1.43 -1.26 -1.00 118.68 122.34 1i3v s LEU 4 Ca 0.06 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1i3v s LEU 4 Cb -0.12 -1.27 0.04 0.00 0.03 0.00 0.00 46.19 44.87 1i3v s LEU 4 CO 0.02 0.27 0.12 -1.58 0.23 0.00 0.00 176.35 175.41 1i3v s GLN 5 N -1.07 0.00 0.34 1.70 2.00 -0.36 -4.00 119.66 118.27 1i3v s GLN 5 Ca 0.11 0.47 -0.08 0.00 -2.00 0.00 0.00 55.36 53.86 1i3v s GLN 5 Cb -0.10 -0.33 -0.06 0.00 0.80 0.00 0.00 33.01 33.33 1i3v s GLN 5 CO 0.01 -0.29 0.65 -1.21 -0.50 0.00 0.00 175.29 173.95 1i3v s GLU 6 N 2.07 3.72 0.17 1.67 8.01 -1.26 -1.37 118.70 131.70 1i3v s GLU 6 Ca 0.02 0.24 -0.19 0.00 0.01 0.00 0.00 54.97 55.05 1i3v s GLU 6 Cb -0.12 -2.53 0.04 0.00 -4.31 0.00 0.00 34.13 27.21 1i3v s GLU 6 CO -0.05 0.11 0.51 -1.54 0.01 0.00 0.00 175.26 174.31 1i3v s SER 7 N -3.08 -0.34 0.00 -0.19 1.04 -0.31 -4.80 113.70 106.01 1i3v s SER 7 Ca 0.48 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1i3v s SER 7 Cb -0.11 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1i3v s SER 7 CO 0.30 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1i3v n GLY 8 N -0.32 0.66 3.72 7.32 0.00 -1.26 -1.29 105.19 114.02 1i3v n GLY 8 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.03 1.66 0.00 -0.02 0.00 -1.26 -4.75 107.32 101.93 1i3v s GLY 9 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.00 1i3v s GLY 9 CO 0.00 0.68 0.00 0.61 0.00 0.00 0.00 173.10 174.39 1i3v n GLY 10 N -0.75 -1.99 3.67 0.20 0.00 0.04 -4.93 105.19 101.43 1i3v n GLY 10 Ca 0.09 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.52 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 4.17 0.24 0.99 2.96 -1.26 -1.41 118.68 124.37 1i3v s LEU 11 Ca 0.00 0.63 0.02 0.00 -0.22 0.00 0.00 54.13 54.56 1i3v s LEU 11 Cb 0.00 -2.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.00 1i3v s LEU 11 CO 0.00 -0.12 0.05 0.68 -1.32 0.00 0.00 176.35 175.64 1i3v s VAL 12 N 1.39 0.78 0.29 1.68 -7.23 -0.30 -4.98 120.40 112.03 1i3v s VAL 12 Ca 0.22 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1i3v s VAL 12 Cb -0.15 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1i3v s VAL 12 CO 0.09 -0.18 0.47 -1.58 -0.31 0.00 0.00 175.10 173.60 1i3v s GLN 13 N -3.95 3.49 0.37 4.82 0.74 -1.26 -1.60 119.66 122.27 1i3v s GLN 13 Ca 0.33 -0.40 -0.28 0.00 0.05 0.00 0.00 55.36 55.05 1i3v s GLN 13 Cb 0.07 -2.75 -0.11 0.00 1.10 0.00 0.00 33.01 31.32 1i3v s GLN 13 CO 0.11 0.27 1.50 0.00 -0.55 0.00 0.00 175.29 176.61 1i3v n ALA 14 N -1.39 2.37 0.00 1.58 0.00 0.98 -2.06 120.51 121.99 1i3v n ALA 14 Ca -0.05 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1i3v n ALA 14 Cb 0.56 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1i3v n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i3v n GLY 15 N 0.67 2.90 3.56 0.00 0.00 0.12 -4.94 105.19 107.50 1i3v n GLY 15 Ca 0.02 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 0.62 1.10 0.20 1.61 1.01 -0.87 -3.96 116.67 116.38 1i3v s ASP 16 Ca 0.00 0.90 0.10 0.00 0.71 0.00 0.00 52.55 54.26 1i3v s ASP 16 Cb 0.00 -1.34 -0.04 0.00 1.01 0.00 0.00 42.92 42.54 1i3v s ASP 16 CO 0.00 -4.04 -0.19 -0.44 0.21 0.00 0.00 175.17 170.71 1i3v s SER 17 N -3.52 2.98 -0.01 0.27 0.01 -1.26 -2.01 113.70 110.16 1i3v s SER 17 Ca 0.69 -0.92 -0.09 0.00 1.31 0.00 0.00 55.95 56.94 1i3v s SER 17 Cb -0.14 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.89 1i3v s SER 17 CO 0.58 -0.01 0.18 -0.22 0.41 0.00 0.00 173.24 174.18 1i3v s LEU 18 N -2.93 1.37 -0.20 2.44 2.96 -0.21 -4.99 118.68 117.11 1i3v s LEU 18 Ca 0.20 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 1i3v s LEU 18 Cb -0.05 0.80 0.03 0.00 0.50 0.00 0.00 46.19 47.47 1i3v s LEU 18 CO 0.09 -0.35 -0.17 -0.75 -1.32 0.00 0.00 176.35 173.85 1i3v s LYS 19 N -1.18 2.81 0.12 1.98 2.20 -1.26 -0.37 119.74 124.03 1i3v s LYS 19 Ca -0.13 -0.96 0.02 0.00 -0.36 0.00 0.00 55.97 54.55 1i3v s LYS 19 Cb -0.06 -2.67 -0.04 0.00 -1.51 0.00 0.00 37.83 33.55 1i3v s LYS 19 CO 0.02 -0.30 0.25 -0.51 -0.36 0.00 0.00 175.35 174.45 1i3v s LEU 20 N 1.25 4.31 -0.02 5.43 1.43 0.26 -4.65 118.68 126.69 1i3v s LEU 20 Ca 0.02 0.19 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 1i3v s LEU 20 Cb -0.15 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 1i3v s LEU 20 CO -0.11 0.09 -0.20 -0.44 0.23 0.00 0.00 176.35 175.93 1i3v s SER 21 N -2.97 2.35 -0.33 2.29 0.01 -0.41 -0.51 113.70 114.13 1i3v s SER 21 Ca 0.34 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 57.26 1i3v s SER 21 Cb -0.12 -0.27 0.08 0.00 0.21 0.00 0.00 66.02 65.93 1i3v s SER 21 CO 0.28 0.25 0.03 0.00 0.41 0.00 0.00 173.24 174.21 1i3v s GLU 23 N 1.05 3.76 0.23 0.00 2.02 -0.47 -1.44 118.70 123.85 1i3v s GLU 23 Ca 0.03 -0.30 0.02 0.00 0.02 0.00 0.00 54.97 54.74 1i3v s GLU 23 Cb -0.20 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 1i3v s GLU 23 CO -0.05 0.44 0.38 0.00 0.02 0.00 0.00 175.26 176.04 1i3v s ALA 24 N -0.08 3.87 -0.00 5.21 0.00 -0.67 -1.22 121.76 128.87 1i3v s ALA 24 Ca 0.07 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 1i3v s ALA 24 Cb -0.12 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.12 1i3v s ALA 24 CO 0.01 0.32 0.16 -1.12 0.00 0.00 0.00 175.76 175.13 1i3v s SER 25 N -3.57 -0.01 0.00 0.00 0.01 -0.17 -4.89 113.70 105.06 1i3v s SER 25 Ca 0.36 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1i3v s SER 25 Cb -0.10 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1i3v s SER 25 CO 0.30 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1i3v n GLY 26 N 1.53 3.22 3.80 3.44 0.00 -1.26 -1.05 105.19 114.87 1i3v n GLY 26 Ca -0.22 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.84 -0.13 0.08 1.61 -1.08 -1.26 -4.85 116.67 110.21 1i3v s ASP 27 Ca 0.00 -0.56 -0.21 0.00 -0.52 0.00 0.00 52.55 51.26 1i3v s ASP 27 Cb 0.00 0.55 -0.07 0.00 -1.46 0.00 0.00 42.92 41.95 1i3v s ASP 27 CO 0.00 -1.05 0.62 -0.55 0.52 0.00 0.00 175.17 174.71 1i3v s SER 28 N -3.05 7.12 0.00 -0.34 0.15 -1.26 -4.90 113.70 111.42 1i3v s SER 28 Ca 0.14 1.33 0.24 0.00 0.70 0.00 0.00 55.95 58.36 1i3v s SER 28 Cb -0.03 -2.39 1.13 0.00 -1.71 0.00 0.00 66.02 63.02 1i3v s SER 28 CO 0.04 0.23 1.78 0.00 1.20 0.00 0.00 173.24 176.49 1i3v n ILE 29 N 1.89 0.30 0.30 6.45 3.06 -1.26 -3.72 119.36 126.37 1i3v n ILE 29 Ca -0.09 0.07 0.18 0.00 -2.50 0.00 0.00 62.75 60.41 1i3v n ILE 29 Cb 0.50 -0.67 0.92 0.00 0.54 0.00 0.00 39.64 40.93 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 4.03 0.00 -2.25 4.50 0.00 -1.91 -2.72 103.07 104.72 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 -3.34 1.89 -4.71 4.70 -2.24 -1.24 -4.84 114.28 104.49 1i3v n THR 31 Ca -0.02 -1.39 -0.30 0.00 -2.27 0.00 0.00 64.05 60.07 1i3v n THR 31 Cb 0.17 0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.06 2.40 0.03 4.78 2.02 -1.03 -4.86 117.35 118.64 1i3v s TYR 32 Ca 0.43 -0.35 -0.26 0.00 -0.37 0.00 0.00 57.07 56.51 1i3v s TYR 32 Cb 0.30 -1.38 -0.05 0.00 -0.40 0.00 0.00 41.96 40.42 1i3v s TYR 32 CO 0.17 0.22 0.81 0.08 -1.57 0.00 0.00 175.55 175.26 1i3v s VAL 33 N -0.91 4.76 -0.10 0.71 1.01 0.29 -4.49 120.40 121.67 1i3v s VAL 33 Ca 0.13 1.72 0.01 0.00 0.00 0.00 0.00 61.98 63.85 1i3v s VAL 33 Cb -0.10 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1i3v s VAL 33 CO 0.04 0.31 -0.12 -0.63 0.00 0.00 0.00 175.10 174.71 1i3v s ILE 34 N 0.21 3.23 0.14 2.22 -1.09 -1.01 -1.66 121.20 123.25 1i3v s ILE 34 Ca 0.41 -0.63 0.08 0.00 -2.23 0.00 0.00 60.65 58.29 1i3v s ILE 34 Cb -0.21 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 1i3v s ILE 34 CO 0.24 0.55 -0.19 -0.83 -1.23 0.00 0.00 174.94 173.48 1i3v s GLY 35 N -0.17 1.33 -0.06 6.18 0.00 0.88 -1.33 107.32 114.15 1i3v s GLY 35 Ca 0.00 -1.40 0.05 0.00 0.00 0.00 0.00 44.72 43.37 1i3v s GLY 35 CO 0.03 -1.44 -0.20 -0.98 0.00 0.00 0.00 173.10 170.51 1i3v s TRP 36 N -1.77 2.55 0.18 1.90 0.52 0.24 -0.51 118.94 122.04 1i3v s TRP 36 Ca 0.12 -0.52 0.01 0.00 0.02 0.00 0.00 56.10 55.74 1i3v s TRP 36 Cb -0.07 -1.63 -0.05 0.00 -1.15 0.00 0.00 33.47 30.57 1i3v s TRP 36 CO 0.06 -0.08 0.02 -0.06 0.02 0.00 0.00 176.95 176.91 1i3v s PHE 37 N -0.30 1.22 0.04 -1.98 0.40 0.23 0.15 117.98 117.73 1i3v s PHE 37 Ca 0.01 -1.06 -0.14 0.00 -0.60 0.00 0.00 56.93 55.14 1i3v s PHE 37 Cb -0.13 -0.70 0.02 0.00 0.51 0.00 0.00 43.02 42.73 1i3v s PHE 37 CO 0.02 -0.26 0.31 -0.98 0.70 0.00 0.00 175.22 175.01 1i3v s ARG 38 N -3.94 0.81 -0.08 0.44 1.70 -0.69 -0.15 118.95 117.03 1i3v s ARG 38 Ca 0.26 -0.48 -0.02 0.00 -0.47 0.00 0.00 55.73 55.02 1i3v s ARG 38 Cb 0.06 0.35 0.03 0.00 -0.57 0.00 0.00 34.95 34.83 1i3v s ARG 38 CO 0.05 -0.26 0.04 -1.14 -1.08 0.00 0.00 175.30 172.92 1i3v s GLN 39 N -2.47 0.21 0.40 3.89 0.74 -0.27 -1.24 119.66 120.93 1i3v s GLN 39 Ca -0.06 0.19 -0.22 0.00 0.05 0.00 0.00 55.36 55.32 1i3v s GLN 39 Cb -0.01 -0.92 -0.10 0.00 1.10 0.00 0.00 33.01 33.07 1i3v s GLN 39 CO -0.03 -0.38 0.96 0.00 -0.55 0.00 0.00 175.29 175.29 1i3v s ALA 40 N 2.08 3.07 0.00 1.58 0.00 -1.26 -1.93 121.76 125.30 1i3v s ALA 40 Ca 0.04 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1i3v s ALA 40 Cb -0.13 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1i3v s ALA 40 CO -0.05 0.09 0.00 -2.30 0.00 0.00 0.00 175.76 173.50 1i3v n PRO 41 N -0.32 0.00 -0.41 0.00 -0.02 -1.26 -1.17 135.00 131.82 1i3v n PRO 41 Ca 0.06 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.61 1i3v n PRO 41 Cb 0.53 0.00 0.18 0.00 -0.02 0.00 0.00 33.50 34.19 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 -0.94 5.03 3.82 -1.23 0.00 -1.26 -5.06 105.19 105.55 1i3v n GLY 42 Ca 0.00 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 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 -3.10 2.22 0.69 1.61 1.02 -0.32 -5.12 119.74 116.74 1i3v s LYS 43 Ca 0.36 -2.29 -0.14 0.00 0.02 0.00 0.00 55.97 53.92 1i3v s LYS 43 Cb 0.34 -1.73 0.01 0.00 -0.52 0.00 0.00 37.83 35.93 1i3v s LYS 43 CO -0.03 -0.48 1.12 -1.83 -0.92 0.00 0.00 175.35 173.21 1i3v s GLU 44 N -4.04 2.62 -0.18 1.68 -1.05 -1.26 -4.59 118.70 111.88 1i3v s GLU 44 Ca 0.14 1.41 -0.29 0.00 -0.15 0.00 0.00 54.97 56.08 1i3v s GLU 44 Cb -0.00 -1.93 0.00 0.00 -0.44 0.00 0.00 34.13 31.76 1i3v s GLU 44 CO 0.09 -1.40 1.02 0.50 0.95 0.00 0.00 175.26 176.42 1i3v s ARG 45 N -4.18 4.32 0.08 -4.83 3.52 -1.26 -4.49 118.95 112.11 1i3v s ARG 45 Ca 0.67 1.35 0.08 0.00 -0.13 0.00 0.00 55.73 57.70 1i3v s ARG 45 Cb -0.21 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 1i3v s ARG 45 CO 0.44 -0.50 -0.16 0.96 -0.81 0.00 0.00 175.30 175.23 1i3v s ILE 46 N 2.72 2.96 0.30 4.11 -4.36 -0.37 -4.77 121.20 121.79 1i3v s ILE 46 Ca 0.45 -1.30 -0.29 0.00 -0.26 0.00 0.00 60.65 59.26 1i3v s ILE 46 Cb -0.16 -2.32 -0.09 0.00 1.25 0.00 0.00 42.46 41.14 1i3v s ILE 46 CO 0.11 0.21 1.08 -0.47 0.24 0.00 0.00 174.94 176.10 1i3v s TYR 47 N -1.06 3.56 -0.04 1.37 6.14 -1.26 -1.70 117.35 124.36 1i3v s TYR 47 Ca 0.17 1.71 -0.02 0.00 0.64 0.00 0.00 57.07 59.57 1i3v s TYR 47 Cb -0.11 -3.23 -0.02 0.00 0.42 0.00 0.00 41.96 39.02 1i3v s TYR 47 CO 0.09 -0.47 -0.06 1.28 0.64 0.00 0.00 175.55 177.03 1i3v n LEU 48 N 1.01 0.37 -3.47 6.97 4.77 0.12 -4.76 117.00 122.01 1i3v n LEU 48 Ca -0.00 0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.93 1i3v n LEU 48 Cb 0.46 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1i3v n LEU 48 CO 0.52 0.10 0.54 0.00 -1.33 0.00 0.00 177.39 177.23 1i3v s ALA 49 N -2.08 -1.71 0.03 -1.18 0.00 -1.06 -1.14 121.76 114.63 1i3v s ALA 49 Ca -0.06 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.66 1i3v s ALA 49 Cb 0.02 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1i3v s ALA 49 CO 0.08 -0.74 -0.08 -0.08 0.00 0.00 0.00 175.76 174.94 1i3v s THR 50 N -3.44 0.57 -0.15 0.00 -1.32 -0.35 -0.60 115.64 110.35 1i3v s THR 50 Ca 0.03 -0.90 -0.00 0.00 -1.21 0.00 0.00 61.69 59.61 1i3v s THR 50 Cb -0.01 -0.59 0.03 0.00 -1.51 0.00 0.00 72.50 70.42 1i3v s THR 50 CO -0.11 -0.24 -0.08 -0.51 -2.21 0.00 0.00 174.62 171.46 1i3v s ILE 51 N -1.07 1.25 1.23 5.08 2.07 -0.44 -1.67 121.20 127.65 1i3v s ILE 51 Ca -0.06 -0.58 -0.21 0.00 -1.41 0.00 0.00 60.65 58.39 1i3v s ILE 51 Cb -0.08 -1.31 0.31 0.00 0.13 0.00 0.00 42.46 41.51 1i3v s ILE 51 CO 0.00 0.28 1.06 0.61 -1.91 0.00 0.00 174.94 174.98 1i3v n GLY 52 N 4.85 -2.86 0.18 1.50 0.00 0.13 -2.40 105.19 106.60 1i3v n GLY 52 Ca -0.13 -1.48 0.08 0.00 0.00 0.00 0.00 46.02 44.49 1i3v n GLY 52 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1i3v n ARG 53 N -4.87 1.53 -4.08 1.61 1.85 -1.26 -4.59 116.66 106.85 1i3v n ARG 53 Ca 0.15 -0.39 -0.34 0.00 -1.00 0.00 0.00 57.85 56.27 1i3v n ARG 53 Cb 0.58 -1.30 -0.07 0.00 -1.05 0.00 0.00 32.46 30.62 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 -2.33 5.82 0.15 2.89 0.01 -1.26 -4.99 114.94 115.22 1i3v s ASN 54 Ca 0.10 0.23 -0.30 0.00 -0.71 0.00 0.00 52.86 52.18 1i3v s ASN 54 Cb 0.13 -1.73 -0.07 0.00 0.41 0.00 0.00 41.25 39.99 1i3v s ASN 54 CO 0.58 0.31 1.23 -0.76 -1.51 0.00 0.00 177.10 176.95 1i3v s LEU 55 N -1.50 4.42 -0.09 0.60 2.01 -1.26 -1.90 118.68 120.95 1i3v s LEU 55 Ca 0.21 2.20 0.20 0.00 0.01 0.00 0.00 54.13 56.75 1i3v s LEU 55 Cb -0.12 -3.60 -0.28 0.00 0.01 0.00 0.00 46.19 42.20 1i3v s LEU 55 CO 0.11 -0.44 0.34 0.55 1.01 0.00 0.00 176.35 177.92 1i3v n VAL 56 N 3.04 0.71 -4.00 -1.59 3.14 0.10 -4.86 118.33 114.88 1i3v n VAL 56 Ca 0.06 -0.67 -0.13 0.00 -2.96 0.00 0.00 64.34 60.64 1i3v n VAL 56 Cb 0.45 -0.27 -0.02 0.00 -1.06 0.00 0.00 33.84 32.94 1i3v n VAL 56 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1i3v n GLY 57 N 1.48 1.76 0.30 7.55 0.00 -1.08 -5.00 105.19 110.20 1i3v n GLY 57 Ca -0.17 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.41 1i3v n GLY 57 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1i3v h PRO 58 N 0.00 0.45 0.00 1.61 0.11 -2.03 -3.08 132.00 129.06 1i3v h PRO 58 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1i3v h PRO 58 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1i3v h PRO 58 CO 0.39 0.30 -0.06 0.45 -0.21 0.00 0.00 178.00 178.87 1i3v n SER 59 N -4.99 1.81 -4.00 -2.05 2.88 -1.26 -5.01 113.62 101.00 1i3v n SER 59 Ca 0.18 -2.54 -0.27 0.00 -1.33 0.00 0.00 58.87 54.91 1i3v n SER 59 Cb 0.50 -0.26 -0.17 0.00 -0.75 0.00 0.00 64.21 63.53 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 -1.98 2.17 0.41 -3.46 -0.00 -1.16 -5.07 116.67 107.57 1i3v s ASP 60 Ca 0.18 -0.35 -0.07 0.00 -0.00 0.00 0.00 52.55 52.30 1i3v s ASP 60 Cb 0.15 -0.94 -0.05 0.00 -0.00 0.00 0.00 42.92 42.09 1i3v s ASP 60 CO 0.02 -0.02 0.74 -0.36 -0.00 0.00 0.00 175.17 175.54 1i3v s PHE 61 N 1.14 3.51 0.37 4.23 0.40 -1.26 0.01 117.98 126.37 1i3v s PHE 61 Ca -0.05 0.87 -0.26 0.00 -0.60 0.00 0.00 56.93 56.89 1i3v s PHE 61 Cb -0.14 -2.32 -0.12 0.00 0.51 0.00 0.00 43.02 40.95 1i3v s PHE 61 CO -0.03 -0.12 1.16 0.98 0.70 0.00 0.00 175.22 177.92 1i3v n TYR 62 N -1.62 1.79 -3.91 0.36 9.36 -0.80 -4.73 117.16 117.62 1i3v n TYR 62 Ca 0.01 0.57 -0.11 0.00 3.32 0.00 0.00 57.90 61.69 1i3v n TYR 62 Cb 0.54 -2.33 -0.12 0.00 -0.63 0.00 0.00 39.34 36.81 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 -1.16 0.07 -0.08 2.97 2.01 -1.26 -0.69 115.64 117.49 1i3v s THR 63 Ca 0.59 -0.54 -0.13 0.00 0.31 0.00 0.00 61.69 61.92 1i3v s THR 63 Cb -0.57 -0.25 0.03 0.00 0.01 0.00 0.00 72.50 71.72 1i3v s THR 63 CO 0.60 -0.30 0.33 0.00 -0.69 0.00 0.00 174.62 174.56 1i3v s ARG 64 N -0.92 0.51 0.04 4.92 1.70 -0.67 -5.00 118.95 119.53 1i3v s ARG 64 Ca -0.10 0.21 0.02 0.00 -0.47 0.00 0.00 55.73 55.39 1i3v s ARG 64 Cb -0.06 0.24 -0.02 0.00 -0.57 0.00 0.00 34.95 34.53 1i3v s ARG 64 CO 0.00 -0.10 -0.08 0.71 -1.08 0.00 0.00 175.30 174.75 1i3v s TYR 65 N -0.42 0.70 0.44 5.89 2.02 -1.26 -1.21 117.35 123.50 1i3v s TYR 65 Ca -0.05 -0.50 -0.16 0.00 -0.37 0.00 0.00 57.07 55.99 1i3v s TYR 65 Cb -0.04 -0.42 -0.09 0.00 -0.40 0.00 0.00 41.96 41.02 1i3v s TYR 65 CO 0.02 -0.08 0.89 0.00 -1.57 0.00 0.00 175.55 174.82 1i3v s ALA 66 N -1.37 3.15 0.41 3.71 0.00 -0.29 -4.85 121.76 122.52 1i3v s ALA 66 Ca -0.09 0.15 0.12 0.00 0.00 0.00 0.00 51.96 52.14 1i3v s ALA 66 Cb -0.10 -2.99 0.95 0.00 0.00 0.00 0.00 23.12 20.98 1i3v s ALA 66 CO 0.01 0.01 1.95 -0.44 0.00 0.00 0.00 175.76 177.29 1i3v h ASP 67 N 1.49 0.46 0.21 0.00 3.32 -1.94 -1.81 116.42 118.15 1i3v h ASP 67 Ca -0.48 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1i3v h ASP 67 Cb 1.18 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1i3v h ASP 67 CO 0.62 0.27 -0.02 0.77 -1.72 0.00 0.00 179.24 179.17 1i3v h SER 68 N 0.51 0.00 0.00 6.45 4.64 -1.95 -3.25 113.55 119.95 1i3v h SER 68 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1i3v h SER 68 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1i3v h SER 68 CO -0.10 0.02 0.00 1.33 -0.87 0.00 0.00 176.83 177.21 1i3v n VAL 69 N -3.33 0.00 -1.70 0.95 0.24 -0.74 -4.99 118.33 108.76 1i3v n VAL 69 Ca -0.02 -0.40 -0.43 0.00 -2.04 0.00 0.00 64.34 61.45 1i3v n VAL 69 Cb 0.14 1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 33.60 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 -0.32 2.41 0.00 7.34 4.81 -0.85 -1.03 118.16 130.52 1i3v n LYS 70 Ca 0.00 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 1i3v n LYS 70 Cb 0.03 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 32.47 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 2.66 3.11 0.06 3.14 0.00 -1.26 -4.77 105.19 108.13 1i3v n GLY 71 Ca 0.12 0.00 -0.06 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 -1.05 1.76 -4.37 1.61 1.74 -0.19 -5.00 116.66 111.16 1i3v n ARG 72 Ca 0.00 -0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 1i3v n ARG 72 Cb 0.00 -1.34 -0.10 0.00 -1.02 0.00 0.00 32.46 29.99 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 2.80 -0.03 -1.55 0.40 -0.71 -1.02 117.98 115.52 1i3v s PHE 73 Ca -0.07 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1i3v s PHE 73 Cb 0.04 -1.52 0.03 0.00 0.51 0.00 0.00 43.02 42.08 1i3v s PHE 73 CO 0.55 0.39 -0.00 0.00 0.70 0.00 0.00 175.22 176.86 1i3v s ALA 74 N -1.10 0.34 -0.05 5.36 0.00 -0.34 -4.86 121.76 121.11 1i3v s ALA 74 Ca 0.19 0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.28 1i3v s ALA 74 Cb -0.11 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1i3v s ALA 74 CO 0.11 -0.07 0.07 0.54 0.00 0.00 0.00 175.76 176.41 1i3v s VAL 75 N 1.01 4.81 0.03 0.00 0.11 -1.26 0.24 120.40 125.35 1i3v s VAL 75 Ca -0.10 -0.21 -0.03 0.00 -2.93 0.00 0.00 61.98 58.71 1i3v s VAL 75 Cb -0.14 -3.13 -0.02 0.00 -1.53 0.00 0.00 36.38 31.57 1i3v s VAL 75 CO -0.02 0.48 0.03 -0.94 -3.33 0.00 0.00 175.10 171.33 1i3v s SER 76 N -1.34 0.26 -0.07 3.54 1.04 -0.38 -4.97 113.70 111.78 1i3v s SER 76 Ca 0.18 -0.61 0.03 0.00 0.48 0.00 0.00 55.95 56.03 1i3v s SER 76 Cb -0.12 0.18 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 1i3v s SER 76 CO 0.08 -0.45 -0.14 -0.60 0.98 0.00 0.00 173.24 173.12 1i3v s ARG 77 N -2.45 2.73 -0.50 4.02 3.52 -1.26 -0.20 118.95 124.80 1i3v s ARG 77 Ca -0.06 -0.68 0.04 0.00 -0.13 0.00 0.00 55.73 54.89 1i3v s ARG 77 Cb -0.02 -2.45 0.16 0.00 -1.56 0.00 0.00 34.95 31.08 1i3v s ARG 77 CO -0.04 0.53 0.37 0.34 -0.81 0.00 0.00 175.30 175.69 1i3v s ASP 78 N -0.48 2.79 0.36 -2.12 3.68 0.26 -4.98 116.67 116.18 1i3v s ASP 78 Ca 0.06 -3.23 0.10 0.00 2.13 0.00 0.00 52.55 51.61 1i3v s ASP 78 Cb -0.12 -0.87 0.85 0.00 -1.45 0.00 0.00 42.92 41.33 1i3v s ASP 78 CO 0.02 -0.16 1.88 0.78 0.13 0.00 0.00 175.17 177.82 1i3v h ASN 79 N 5.74 0.62 -0.25 -0.34 -0.26 -1.96 -2.07 115.58 117.05 1i3v h ASN 79 Ca 0.19 0.04 0.02 0.00 -0.56 0.00 0.00 56.30 55.99 1i3v h ASN 79 Cb 0.87 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 38.03 1i3v h ASN 79 CO 0.49 0.32 0.17 0.00 -1.06 0.00 0.00 177.43 177.34 1i3v h ALA 80 N 1.60 1.92 -0.47 -0.83 0.00 -1.93 -0.21 119.26 119.34 1i3v h ALA 80 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1i3v h ALA 80 Cb 0.73 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1i3v h ALA 80 CO -0.19 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.74 1i3v n LYS 81 N -4.50 2.51 -3.74 0.00 5.02 -0.84 -4.96 118.16 111.65 1i3v n LYS 81 Ca 0.01 -2.28 -0.24 0.00 -2.02 0.00 0.00 58.31 53.78 1i3v n LYS 81 Cb 0.14 -1.46 0.04 0.00 -0.02 0.00 0.00 35.03 33.73 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 1.28 -2.93 -3.97 4.39 5.15 -0.09 -4.87 115.26 114.22 1i3v n ASN 82 Ca 0.18 -0.76 -0.09 0.00 -0.60 0.00 0.00 54.58 53.31 1i3v n ASN 82 Cb 0.55 -4.18 -0.11 0.00 -0.53 0.00 0.00 39.78 35.51 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 0.10 -0.02 -0.44 2.01 -0.85 -1.67 115.64 111.29 1i3v s THR 83 Ca 0.28 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.48 1i3v s THR 83 Cb -0.14 -0.26 -0.01 0.00 0.01 0.00 0.00 72.50 72.10 1i3v s THR 83 CO 0.80 -0.47 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.38 1i3v s VAL 84 N -1.38 1.55 0.20 3.82 1.01 -0.52 -0.58 120.40 124.50 1i3v s VAL 84 Ca -0.15 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.11 1i3v s VAL 84 Cb -0.09 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1i3v s VAL 84 CO -0.01 0.44 -0.16 0.20 0.00 0.00 0.00 175.10 175.57 1i3v s ASN 85 N -0.36 3.86 -0.22 3.32 0.02 0.72 -0.52 114.94 121.75 1i3v s ASN 85 Ca 0.05 -0.75 -0.01 0.00 -1.02 0.00 0.00 52.86 51.13 1i3v s ASN 85 Cb -0.08 -0.49 0.06 0.00 0.02 0.00 0.00 41.25 40.76 1i3v s ASN 85 CO -0.00 0.10 -0.02 -0.22 0.02 0.00 0.00 177.10 176.98 1i3v s LEU 86 N -2.88 2.03 -0.19 0.60 2.96 0.33 -1.25 118.68 120.28 1i3v s LEU 86 Ca 0.24 -1.05 -0.20 0.00 -0.22 0.00 0.00 54.13 52.90 1i3v s LEU 86 Cb -0.08 -0.95 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 1i3v s LEU 86 CO 0.13 -0.27 0.61 -1.58 -1.32 0.00 0.00 176.35 173.92 1i3v s GLN 87 N 1.58 4.21 -0.23 1.98 2.00 0.14 -0.57 119.66 128.77 1i3v s GLN 87 Ca -0.04 0.58 -0.01 0.00 -2.00 0.00 0.00 55.36 53.89 1i3v s GLN 87 Cb -0.18 -3.57 0.02 0.00 0.80 0.00 0.00 33.01 30.08 1i3v s GLN 87 CO -0.07 -0.21 -0.10 -1.64 -0.50 0.00 0.00 175.29 172.77 1i3v s MET 88 N 1.81 2.90 0.27 1.67 -1.94 0.50 -1.19 119.30 123.30 1i3v s MET 88 Ca 0.28 -0.92 0.09 0.00 -1.71 0.00 0.00 55.69 53.42 1i3v s MET 88 Cb -0.16 -2.87 -0.04 0.00 2.01 0.00 0.00 34.83 33.78 1i3v s MET 88 CO 0.10 -0.34 0.07 -0.80 -0.01 0.00 0.00 175.02 174.05 1i3v s ASN 89 N 1.32 4.87 -1.22 3.03 0.01 -0.19 -1.05 114.94 121.70 1i3v s ASN 89 Ca 0.01 -0.52 -0.22 0.00 -0.71 0.00 0.00 52.86 51.42 1i3v s ASN 89 Cb -0.16 -1.02 0.01 0.00 0.41 0.00 0.00 41.25 40.50 1i3v s ASN 89 CO -0.07 -0.03 0.66 -1.20 -1.51 0.00 0.00 177.10 174.96 1i3v n SER 90 N -1.00 -3.87 -4.77 -1.22 7.64 -1.19 -4.79 113.62 104.41 1i3v n SER 90 Ca -0.07 -1.13 -0.41 0.00 1.01 0.00 0.00 58.87 58.28 1i3v n SER 90 Cb 0.59 -2.66 -0.02 0.00 -1.01 0.00 0.00 64.21 61.11 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 -6.93 4.40 0.23 -3.43 1.43 -0.85 -4.68 118.68 108.85 1i3v s LEU 91 Ca 0.39 2.73 0.11 0.00 -1.03 0.00 0.00 54.13 56.34 1i3v s LEU 91 Cb -0.17 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 1i3v s LEU 91 CO 0.91 -0.62 -0.21 -0.54 0.23 0.00 0.00 176.35 176.12 1i3v s LYS 92 N -1.53 1.63 0.48 1.70 1.02 -1.26 0.10 119.74 121.87 1i3v s LYS 92 Ca 0.52 -1.60 0.19 0.00 0.02 0.00 0.00 55.97 55.10 1i3v s LYS 92 Cb -0.41 -1.84 1.20 0.00 -0.52 0.00 0.00 37.83 36.26 1i3v s LYS 92 CO 0.52 0.37 1.98 -1.35 -0.92 0.00 0.00 175.35 175.95 1i3v h PRO 93 N 2.80 0.21 0.00 -1.68 0.11 -1.91 0.31 132.00 131.84 1i3v h PRO 93 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1i3v h PRO 93 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1i3v h PRO 93 CO 0.53 0.14 0.00 0.39 -0.21 0.00 0.00 178.00 178.85 1i3v n GLU 94 N -4.44 0.07 0.00 1.05 1.02 -1.26 -1.26 120.64 115.83 1i3v n GLU 94 Ca 0.11 0.26 0.13 0.00 -0.02 0.00 0.00 57.16 57.64 1i3v n GLU 94 Cb 0.51 -1.50 0.35 0.00 -0.02 0.00 0.00 31.44 30.78 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 -1.35 1.29 -4.71 1.62 8.00 0.11 -4.90 116.55 116.61 1i3v n ASP 95 Ca 0.03 -1.11 -0.42 0.00 0.71 0.00 0.00 54.79 54.00 1i3v n ASP 95 Cb 0.07 0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 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 -2.39 2.46 -0.53 -3.53 2.01 -0.39 -4.88 115.64 108.38 1i3v s THR 96 Ca 0.26 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1i3v s THR 96 Cb 0.19 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.54 1i3v s THR 96 CO 0.49 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.43 1i3v n ALA 97 N 4.41 0.00 -2.76 7.40 0.00 -0.77 -4.58 120.51 124.20 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 0.38 0.00 -0.09 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 -2.14 5.19 -0.11 0.00 1.01 -0.81 -0.97 120.40 122.55 1i3v s VAL 98 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 1i3v s VAL 98 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1i3v s VAL 98 CO 0.00 0.45 0.04 -0.31 0.00 0.00 0.00 175.10 175.28 1i3v s TYR 99 N 0.34 3.26 0.08 5.22 1.51 0.27 -1.12 117.35 126.91 1i3v s TYR 99 Ca 0.06 0.21 0.06 0.00 -1.01 0.00 0.00 57.07 56.40 1i3v s TYR 99 Cb -0.11 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1i3v s TYR 99 CO -0.01 0.44 -0.17 0.71 -1.11 0.00 0.00 175.55 175.41 1i3v s TYR 100 N -0.62 1.44 0.16 2.71 1.51 0.78 -1.10 117.35 122.23 1i3v s TYR 100 Ca 0.11 -0.44 0.08 0.00 -1.01 0.00 0.00 57.07 55.82 1i3v s TYR 100 Cb -0.12 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.89 1i3v s TYR 100 CO 0.02 0.11 -0.10 0.00 -1.11 0.00 0.00 175.55 174.47 1i3v s ALA 102 N -1.53 0.27 0.01 0.00 0.00 0.33 -1.64 121.76 119.20 1i3v s ALA 102 Ca 0.23 -1.02 0.04 0.00 0.00 0.00 0.00 51.96 51.21 1i3v s ALA 102 Cb -0.10 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 1i3v s ALA 102 CO 0.14 -0.45 -0.12 0.00 0.00 0.00 0.00 175.76 175.34 1i3v s ALA 103 N -3.92 1.00 0.13 0.00 0.00 0.55 -0.08 121.76 119.43 1i3v s ALA 103 Ca 0.09 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 1i3v s ALA 103 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1i3v s ALA 103 CO -0.08 0.21 0.09 -1.59 0.00 0.00 0.00 175.76 174.39 1i3v s LYS 104 N -0.62 0.93 0.00 0.00 -2.85 -0.66 -1.66 119.74 114.87 1i3v s LYS 104 Ca 0.03 -1.36 0.09 0.00 -1.00 0.00 0.00 55.97 53.73 1i3v s LYS 104 Cb -0.06 0.26 0.24 0.00 -2.06 0.00 0.00 37.83 36.21 1i3v s LYS 104 CO 0.00 -0.27 1.17 0.25 0.10 0.00 0.00 175.35 176.60 1i3v n THR 105 N -0.09 0.88 -4.38 3.79 -2.24 -1.26 -0.55 114.28 110.43 1i3v n THR 105 Ca -0.07 -0.94 -0.19 0.00 -2.27 0.00 0.00 64.05 60.58 1i3v n THR 105 Cb 0.63 0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.97 1.13 -1.39 4.28 -4.23 -1.26 -4.98 115.64 108.21 1i3v s THR 106 Ca 0.19 -2.03 0.15 0.00 -1.18 0.00 0.00 61.69 58.82 1i3v s THR 106 Cb 0.10 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 1i3v s THR 106 CO 0.13 -0.20 0.82 0.35 -0.54 0.00 0.00 174.62 175.18 1i3v n THR 107 N -0.52 0.00 -2.09 3.99 -2.24 -1.26 -4.91 114.28 107.25 1i3v n THR 107 Ca -0.04 -0.34 -0.27 0.00 -2.27 0.00 0.00 64.05 61.13 1i3v n THR 107 Cb 0.65 1.18 0.07 0.00 -2.10 0.00 0.00 70.33 70.12 1i3v n THR 107 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1i3v s TRP 108 N -1.84 3.03 0.00 4.78 0.52 -1.26 -4.54 118.94 119.63 1i3v s TRP 108 Ca 0.13 0.65 0.00 0.00 0.02 0.00 0.00 56.10 56.89 1i3v s TRP 108 Cb 0.12 -3.21 0.00 0.00 -1.15 0.00 0.00 33.47 29.23 1i3v s TRP 108 CO 0.39 -1.41 0.00 0.41 0.02 0.00 0.00 176.95 176.36 1i3v n GLY 109 N -3.01 1.95 1.60 0.98 0.00 -1.26 -4.92 105.19 100.53 1i3v n GLY 109 Ca 0.07 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.88 2.78 -0.02 0.00 -1.26 -4.96 105.19 96.86 1i3v n GLY 110 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 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 1.19 -5.87 -3.99 1.61 3.02 -1.26 -5.06 115.26 104.91 1i3v n ASN 111 Ca 0.00 -0.20 -0.09 0.00 -0.03 0.00 0.00 54.58 54.26 1i3v n ASN 111 Cb 0.00 -4.75 -0.11 0.00 -0.61 0.00 0.00 39.78 34.31 1i3v n ASN 111 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1i3v s ASP 112 N -2.54 0.29 0.00 6.41 3.84 -1.26 -4.69 116.67 118.72 1i3v s ASP 112 Ca 0.20 -0.53 0.05 0.00 -0.00 0.00 0.00 52.55 52.28 1i3v s ASP 112 Cb -0.09 0.10 0.25 0.00 -1.38 0.00 0.00 42.92 41.80 1i3v s ASP 112 CO 0.25 -0.31 1.06 -0.81 -0.00 0.00 0.00 175.17 175.37 1i3v n PRO 113 N 1.52 0.05 -0.32 2.11 -0.04 -1.26 -3.88 135.00 133.17 1i3v n PRO 113 Ca -0.23 0.30 0.01 0.00 -0.04 0.00 0.00 63.50 63.53 1i3v n PRO 113 Cb 0.55 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.00 0.89 -2.28 3.54 2.35 -1.98 -3.33 115.58 114.77 1i3v h ASN 114 Ca 0.00 0.01 -0.59 0.00 -0.55 0.00 0.00 56.30 55.17 1i3v h ASN 114 Cb 0.06 -0.18 -0.42 0.00 0.05 0.00 0.00 38.32 37.84 1i3v h ASN 114 CO 0.00 0.57 -0.64 0.59 -1.65 0.00 0.00 177.43 176.31 1i3v n ASN 115 N -4.59 4.46 -4.34 5.81 3.02 -1.25 -5.00 115.26 113.36 1i3v n ASN 115 Ca 0.13 -3.68 -0.33 0.00 -0.03 0.00 0.00 54.58 50.67 1i3v n ASN 115 Cb 0.17 -0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 38.62 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 -3.42 2.80 0.17 3.10 0.52 -1.25 -4.94 118.94 115.91 1i3v s TRP 116 Ca 0.48 -0.75 -0.12 0.00 0.02 0.00 0.00 56.10 55.74 1i3v s TRP 116 Cb 0.27 -1.85 0.07 0.00 -1.15 0.00 0.00 33.47 30.81 1i3v s TRP 116 CO -0.13 -0.28 1.72 -0.91 0.02 0.00 0.00 176.95 177.37 1i3v h ASN 117 N 6.86 0.82 -4.10 2.95 2.35 -1.77 -3.45 115.58 119.23 1i3v h ASN 117 Ca -0.27 -0.17 -0.29 0.00 -0.55 0.00 0.00 56.30 55.01 1i3v h ASN 117 Cb 1.21 -0.21 -0.27 0.00 0.05 0.00 0.00 38.32 39.10 1i3v h ASN 117 CO 0.55 0.77 -0.74 -0.31 -1.65 0.00 0.00 177.43 176.06 1i3v s TYR 118 N -5.53 0.43 0.10 1.19 1.51 -0.67 -4.99 117.35 109.39 1i3v s TYR 118 Ca -0.13 -0.18 0.08 0.00 -1.01 0.00 0.00 57.07 55.83 1i3v s TYR 118 Cb 0.13 -0.27 -0.03 0.00 -0.11 0.00 0.00 41.96 41.67 1i3v s TYR 118 CO 0.80 -0.03 -0.20 -1.58 -1.11 0.00 0.00 175.55 173.42 1i3v s TRP 119 N -0.42 1.74 0.22 2.71 0.52 -1.26 -0.33 118.94 122.11 1i3v s TRP 119 Ca -0.02 -0.43 -0.02 0.00 0.02 0.00 0.00 56.10 55.66 1i3v s TRP 119 Cb -0.04 -0.95 0.05 0.00 -1.15 0.00 0.00 33.47 31.38 1i3v s TRP 119 CO -0.00 0.20 0.30 0.41 0.02 0.00 0.00 176.95 177.88 1i3v n GLY 120 N 1.03 0.08 0.11 0.98 0.00 -0.65 -4.47 105.19 102.27 1i3v n GLY 120 Ca -0.19 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.89 -3.47 115.11 115.51 1i3v h GLN 121 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1i3v h GLN 121 Cb 0.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1i3v h GLN 121 CO 0.09 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.40 1i3v n GLY 122 N 1.19 0.64 2.95 2.39 0.00 -1.26 -5.05 105.19 106.05 1i3v n GLY 122 Ca 0.00 -1.55 -0.20 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.13 0.68 0.04 2.61 -1.32 -0.26 -4.80 115.64 110.47 1i3v s THR 123 Ca 0.00 -0.26 -0.30 0.00 -1.21 0.00 0.00 61.69 59.92 1i3v s THR 123 Cb 0.00 -0.65 -0.04 0.00 -1.51 0.00 0.00 72.50 70.30 1i3v s THR 123 CO 0.00 0.24 1.00 -1.58 -2.21 0.00 0.00 174.62 172.07 1i3v s GLN 124 N 0.52 4.58 -0.14 7.08 2.00 -1.26 -0.57 119.66 131.88 1i3v s GLN 124 Ca -0.08 1.47 0.01 0.00 -2.00 0.00 0.00 55.36 54.77 1i3v s GLN 124 Cb -0.11 -3.42 0.02 0.00 0.80 0.00 0.00 33.01 30.29 1i3v s GLN 124 CO 0.01 -0.01 -0.17 0.08 -0.50 0.00 0.00 175.29 174.71 1i3v s VAL 125 N 0.74 1.69 -0.16 1.34 1.01 -0.15 -0.78 120.40 124.08 1i3v s VAL 125 Ca 0.51 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1i3v s VAL 125 Cb -0.23 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1i3v s VAL 125 CO 0.29 0.48 -0.19 -0.89 0.00 0.00 0.00 175.10 174.78 1i3v s THR 126 N 1.18 2.21 -0.22 3.92 2.01 -0.50 -1.85 115.64 122.40 1i3v s THR 126 Ca -0.01 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 1i3v s THR 126 Cb -0.14 -1.92 -0.00 0.00 0.01 0.00 0.00 72.50 70.45 1i3v s THR 126 CO -0.06 0.53 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.66 1i3v s VAL 127 N 1.04 3.26 0.31 3.82 1.01 -1.26 -1.15 120.40 127.44 1i3v s VAL 127 Ca -0.01 -0.55 0.10 0.00 0.00 0.00 0.00 61.98 61.51 1i3v s VAL 127 Cb -0.14 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.69 1i3v s VAL 127 CO -0.06 0.42 -0.09 -0.94 0.00 0.00 0.00 175.10 174.42 1i3v s SER 128 N 1.46 3.89 0.00 3.32 1.04 -0.63 -4.26 113.70 118.51 1i3v s SER 128 Ca 0.05 -1.04 0.11 0.00 0.48 0.00 0.00 55.95 55.55 1i3v s SER 128 Cb -0.14 -0.43 0.08 0.00 0.10 0.00 0.00 66.02 65.63 1i3v s SER 128 CO -0.04 -0.11 0.83 -1.20 0.98 0.00 0.00 173.24 173.70