#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9d s PHE 6 N 0.00 3.16 -0.23 2.11 2.99 -1.26 -4.84 117.98 119.91 3i9d s PHE 6 Ca 0.00 -0.21 -0.36 0.00 0.00 0.00 0.00 56.93 56.36 3i9d s PHE 6 Cb 0.00 -2.32 -0.12 0.00 0.00 0.00 0.00 43.02 40.57 3i9d s PHE 6 CO 0.00 -0.29 1.96 -1.91 -0.00 0.00 0.00 175.22 174.98 3i9d n GLU 7 N 5.00 1.53 -2.99 0.44 4.07 -0.68 -4.76 120.64 123.24 3i9d n GLU 7 Ca -0.15 0.52 -0.32 0.00 -0.06 0.00 0.00 57.16 57.15 3i9d n GLU 7 Cb 0.51 -2.46 -0.03 0.00 -0.06 0.00 0.00 31.44 29.40 3i9d n GLU 7 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3i9d n GLU 8 N 6.91 3.75 -3.40 5.31 2.13 -1.26 -1.91 120.64 132.17 3i9d n GLU 8 Ca 0.30 -4.74 -0.38 0.00 0.66 0.00 0.00 57.16 53.00 3i9d n GLU 8 Cb 0.23 -2.33 -0.08 0.00 0.27 0.00 0.00 31.44 29.53 3i9d n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3i9d s LYS 9 N -3.35 4.16 0.15 5.31 2.20 -1.19 -4.95 119.74 122.05 3i9d s LYS 9 Ca 0.42 0.17 0.03 0.00 -0.36 0.00 0.00 55.97 56.23 3i9d s LYS 9 Cb 0.20 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 3i9d s LYS 9 CO -0.07 -0.05 0.26 0.00 -0.36 0.00 0.00 175.35 175.13 3i9d s MET 10 N 1.35 3.38 -0.12 4.03 0.23 -1.26 -2.13 119.30 124.77 3i9d s MET 10 Ca 0.18 -0.62 0.05 0.00 -1.03 0.00 0.00 55.69 54.27 3i9d s MET 10 Cb -0.15 -2.93 -0.11 0.00 -1.53 0.00 0.00 34.83 30.11 3i9d s MET 10 CO 0.08 0.52 -0.05 0.44 -2.03 0.00 0.00 175.02 173.98 3i9d n ILE 11 N -0.48 0.76 -4.68 3.16 -5.35 -0.06 -4.89 119.36 107.82 3i9d n ILE 11 Ca -0.07 -0.37 -0.23 0.00 -0.27 0.00 0.00 62.75 61.81 3i9d n ILE 11 Cb 0.54 -0.86 -0.15 0.00 -1.74 0.00 0.00 39.64 37.43 3i9d n ILE 11 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3i9d s LEU 12 N -5.32 2.00 -0.12 7.28 0.20 -0.49 -5.00 118.68 117.24 3i9d s LEU 12 Ca -0.12 -0.27 -0.03 0.00 0.69 0.00 0.00 54.13 54.40 3i9d s LEU 12 Cb 0.04 -0.77 0.04 0.00 -0.43 0.00 0.00 46.19 45.08 3i9d s LEU 12 CO 0.37 0.17 0.05 -0.63 -0.29 0.00 0.00 176.35 176.02 3i9d s ILE 13 N -0.27 0.16 0.02 6.68 1.09 -1.26 -0.34 121.20 127.28 3i9d s ILE 13 Ca 0.04 -0.02 -0.02 0.00 -1.10 0.00 0.00 60.65 59.56 3i9d s ILE 13 Cb -0.06 -0.55 -0.02 0.00 -1.06 0.00 0.00 42.46 40.77 3i9d s ILE 13 CO -0.00 -0.00 0.01 0.00 -0.10 0.00 0.00 174.94 174.84 3i9d s ARG 14 N 2.04 0.35 -0.33 2.79 1.70 -1.04 -5.02 118.95 119.45 3i9d s ARG 14 Ca 0.03 -0.57 -0.03 0.00 -0.47 0.00 0.00 55.73 54.69 3i9d s ARG 14 Cb -0.14 0.13 0.05 0.00 -0.57 0.00 0.00 34.95 34.42 3i9d s ARG 14 CO -0.06 -0.06 0.06 0.50 -1.08 0.00 0.00 175.30 174.65 3i9d s ARG 15 N -1.45 2.44 0.72 3.89 3.52 -1.26 -0.27 118.95 126.54 3i9d s ARG 15 Ca -0.16 -1.30 -0.12 0.00 -0.13 0.00 0.00 55.73 54.02 3i9d s ARG 15 Cb -0.09 -3.32 0.17 0.00 -1.56 0.00 0.00 34.95 30.14 3i9d s ARG 15 CO -0.00 -0.69 0.83 0.25 -0.81 0.00 0.00 175.30 174.87 3i9d n THR 16 N 4.68 0.00 -3.67 4.11 -2.24 -1.07 -4.93 114.28 111.17 3i9d n THR 16 Ca -0.12 -0.53 -0.08 0.00 -2.27 0.00 0.00 64.05 61.06 3i9d n THR 16 Cb 0.43 -1.48 -0.09 0.00 -2.10 0.00 0.00 70.33 67.10 3i9d n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i9d s ALA 17 N -3.62 -1.34 -0.04 6.98 0.00 -1.26 -3.58 121.76 118.90 3i9d s ALA 17 Ca 0.49 1.75 -0.03 0.00 0.00 0.00 0.00 51.96 54.17 3i9d s ALA 17 Cb -0.03 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 3i9d s ALA 17 CO 0.36 -0.57 0.13 0.50 0.00 0.00 0.00 175.76 176.17 3i9d s ARG 18 N 2.13 3.29 -0.01 0.00 3.52 -0.31 -5.02 118.95 122.56 3i9d s ARG 18 Ca -0.06 -0.33 -0.02 0.00 -0.13 0.00 0.00 55.73 55.19 3i9d s ARG 18 Cb -0.10 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 3i9d s ARG 18 CO -0.15 0.69 0.15 -1.64 -0.81 0.00 0.00 175.30 173.55 3i9d s MET 19 N -1.58 3.34 -0.28 5.12 -1.94 -1.26 -2.40 119.30 120.30 3i9d s MET 19 Ca 0.22 -0.36 -0.25 0.00 -1.71 0.00 0.00 55.69 53.59 3i9d s MET 19 Cb -0.12 -3.04 0.12 0.00 2.01 0.00 0.00 34.83 33.80 3i9d s MET 19 CO 0.12 0.67 1.00 -1.14 -0.01 0.00 0.00 175.02 175.67 3i9d s GLN 20 N -1.84 0.54 0.16 2.03 -0.44 -1.02 -4.96 119.66 114.12 3i9d s GLN 20 Ca 0.26 0.62 -0.12 0.00 -2.50 0.00 0.00 55.36 53.61 3i9d s GLN 20 Cb -0.12 0.26 -0.08 0.00 -1.64 0.00 0.00 33.01 31.43 3i9d s GLN 20 CO 0.17 -0.07 0.14 0.00 0.50 0.00 0.00 175.29 176.03 3i9d n ALA 21 N 2.21 -2.08 0.00 1.58 0.00 -1.26 -1.06 120.51 119.89 3i9d n ALA 21 Ca -0.13 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3i9d n ALA 21 Cb 0.56 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3i9d n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9d n GLY 22 N 1.11 2.40 0.00 0.00 0.00 -1.26 -4.90 105.19 102.54 3i9d n GLY 22 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3i9d n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9d n GLY 23 N -1.91 -1.74 3.01 -0.02 0.00 -0.22 -5.08 105.19 99.23 3i9d n GLY 23 Ca 0.00 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 3i9d n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i9d s ARG 24 N -1.57 2.32 0.37 1.61 1.70 -1.26 -2.42 118.95 119.70 3i9d s ARG 24 Ca 0.00 -2.70 -0.26 0.00 -0.47 0.00 0.00 55.73 52.29 3i9d s ARG 24 Cb 0.00 -3.52 -0.09 0.00 -0.57 0.00 0.00 34.95 30.77 3i9d s ARG 24 CO 0.00 -1.16 1.21 1.03 -1.08 0.00 0.00 175.30 175.30 3i9d s ARG 25 N -0.39 4.17 0.00 3.89 0.52 -1.01 -4.79 118.95 121.34 3i9d s ARG 25 Ca 0.18 1.95 0.00 0.00 -0.52 0.00 0.00 55.73 57.35 3i9d s ARG 25 Cb -0.21 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 32.44 3i9d s ARG 25 CO -0.03 -0.26 0.00 1.19 0.02 0.00 0.00 175.30 176.22 3i9d n PHE 26 N 0.35 -1.99 -3.67 -0.53 3.01 -1.26 -1.16 117.46 112.21 3i9d n PHE 26 Ca 0.03 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.47 3i9d n PHE 26 Cb 0.45 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.91 3i9d n PHE 26 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3i9d s ARG 27 N -0.84 0.75 -0.01 -1.08 3.52 -1.23 -4.81 118.95 115.24 3i9d s ARG 27 Ca 0.00 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 3i9d s ARG 27 Cb 0.00 0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.67 3i9d s ARG 27 CO 0.00 -0.34 0.01 -0.06 -0.81 0.00 0.00 175.30 174.09 3i9d s PHE 28 N -2.82 0.12 -0.01 5.12 0.40 -0.98 -2.60 117.98 117.21 3i9d s PHE 28 Ca 0.13 0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.48 3i9d s PHE 28 Cb 0.02 -0.20 -0.04 0.00 0.51 0.00 0.00 43.02 43.30 3i9d s PHE 28 CO -0.02 -0.06 0.13 0.20 0.70 0.00 0.00 175.22 176.17 3i9d s GLY 29 N 0.60 2.10 -0.05 4.36 0.00 0.62 -2.48 107.32 112.47 3i9d s GLY 29 Ca -0.05 -0.82 0.03 0.00 0.00 0.00 0.00 44.72 43.88 3i9d s GLY 29 CO -0.01 -0.69 -0.14 0.00 0.00 0.00 0.00 173.10 172.25 3i9d s ALA 30 N -1.25 1.34 -0.30 3.20 0.00 0.23 -2.50 121.76 122.48 3i9d s ALA 30 Ca 0.25 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.69 3i9d s ALA 30 Cb -0.12 -0.51 0.08 0.00 0.00 0.00 0.00 23.12 22.58 3i9d s ALA 30 CO 0.16 0.20 -0.00 -1.17 0.00 0.00 0.00 175.76 174.94 3i9d s LEU 31 N 0.29 3.84 0.02 0.00 1.98 0.54 -1.73 118.68 123.62 3i9d s LEU 31 Ca -0.08 -1.76 0.08 0.00 -2.89 0.00 0.00 54.13 49.48 3i9d s LEU 31 Cb -0.13 -1.46 -0.02 0.00 0.66 0.00 0.00 46.19 45.23 3i9d s LEU 31 CO 0.03 -0.31 -0.24 -0.69 -1.89 0.00 0.00 176.35 173.24 3i9d s VAL 32 N 1.10 1.95 -0.00 1.68 1.01 -1.09 -0.88 120.40 124.17 3i9d s VAL 32 Ca 0.03 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 60.79 3i9d s VAL 32 Cb -0.19 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3i9d s VAL 32 CO -0.09 0.38 0.02 -0.69 0.00 0.00 0.00 175.10 174.73 3i9d s VAL 33 N -0.72 4.33 -0.04 2.92 1.01 -0.91 -2.45 120.40 124.54 3i9d s VAL 33 Ca 0.10 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3i9d s VAL 33 Cb -0.09 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.36 3i9d s VAL 33 CO 0.01 0.37 -0.04 -0.69 0.00 0.00 0.00 175.10 174.75 3i9d s VAL 34 N -1.12 0.49 0.00 2.92 1.01 -0.75 -3.20 120.40 119.75 3i9d s VAL 34 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3i9d s VAL 34 Cb -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.75 3i9d s VAL 34 CO 0.11 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3i9d n GLY 35 N 3.95 3.42 0.00 4.51 0.00 -0.80 -1.31 105.19 114.95 3i9d n GLY 35 Ca -0.25 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3i9d n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i9d n ASP 36 N 0.00 0.00 0.00 1.61 5.75 -1.17 -1.69 116.55 121.05 3i9d n ASP 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3i9d n ASP 36 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3i9d n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3i9d n ARG 37 N -0.48 0.00 0.00 0.11 5.12 -1.24 -4.83 116.66 115.34 3i9d n ARG 37 Ca 0.00 0.14 0.02 0.00 -1.93 0.00 0.00 57.85 56.08 3i9d n ARG 37 Cb 0.00 -1.24 0.01 0.00 -1.16 0.00 0.00 32.46 30.07 3i9d n ARG 37 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3i9d n GLN 38 N -2.32 1.26 0.00 5.56 1.13 -1.26 -4.11 117.38 117.64 3i9d n GLN 38 Ca 0.00 -0.56 0.00 0.00 -1.94 0.00 0.00 57.00 54.50 3i9d n GLN 38 Cb 0.00 -0.98 0.00 0.00 0.11 0.00 0.00 30.24 29.37 3i9d n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i9d n GLY 39 N 0.48 1.44 3.01 1.08 0.00 -1.25 -4.96 105.19 104.99 3i9d n GLY 39 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3i9d n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i9d s ARG 40 N -0.20 2.17 0.03 1.61 0.52 -1.26 0.23 118.95 122.06 3i9d s ARG 40 Ca 0.00 -0.77 -0.07 0.00 -0.52 0.00 0.00 55.73 54.37 3i9d s ARG 40 Cb 0.00 -2.35 -0.00 0.00 0.52 0.00 0.00 34.95 33.12 3i9d s ARG 40 CO 0.00 -0.36 0.13 0.14 0.02 0.00 0.00 175.30 175.23 3i9d s VAL 41 N 1.41 0.12 0.17 3.52 -7.23 -1.23 -3.61 120.40 113.55 3i9d s VAL 41 Ca 0.01 -0.97 -0.06 0.00 -1.81 0.00 0.00 61.98 59.15 3i9d s VAL 41 Cb -0.15 -0.83 -0.02 0.00 0.56 0.00 0.00 36.38 35.94 3i9d s VAL 41 CO -0.09 -0.53 0.22 -0.83 -0.31 0.00 0.00 175.10 173.55 3i9d s GLY 42 N -2.00 0.80 -0.05 2.32 0.00 -0.43 -0.33 107.32 107.63 3i9d s GLY 42 Ca -0.06 -1.19 -0.06 0.00 0.00 0.00 0.00 44.72 43.40 3i9d s GLY 42 CO -0.03 -1.06 0.15 -2.27 0.00 0.00 0.00 173.10 169.89 3i9d s LEU 43 N -3.03 1.43 0.01 0.66 2.96 -1.20 -1.82 118.68 117.69 3i9d s LEU 43 Ca 0.24 0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 54.29 3i9d s LEU 43 Cb 0.05 0.57 0.00 0.00 0.50 0.00 0.00 46.19 47.30 3i9d s LEU 43 CO 0.04 -0.11 0.16 -0.83 -1.32 0.00 0.00 176.35 174.29 3i9d s GLY 44 N -0.18 0.03 -0.18 7.98 0.00 -1.03 -4.53 107.32 109.41 3i9d s GLY 44 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.54 3i9d s GLY 44 CO 0.00 -0.31 -0.17 -0.12 0.00 0.00 0.00 173.10 172.51 3i9d s PHE 45 N -1.72 2.80 -0.02 1.90 5.36 -1.26 -2.67 117.98 122.38 3i9d s PHE 45 Ca -0.12 -1.49 0.03 0.00 -0.96 0.00 0.00 56.93 54.39 3i9d s PHE 45 Cb -0.06 -1.94 -0.00 0.00 -0.34 0.00 0.00 43.02 40.68 3i9d s PHE 45 CO 0.00 -0.74 -0.09 0.20 -1.46 0.00 0.00 175.22 173.13 3i9d s GLY 46 N 1.28 0.51 -0.03 13.12 0.00 -0.71 -4.93 107.32 116.57 3i9d s GLY 46 Ca 0.04 -0.36 0.05 0.00 0.00 0.00 0.00 44.72 44.45 3i9d s GLY 46 CO -0.10 -0.18 -0.18 0.54 0.00 0.00 0.00 173.10 173.17 3i9d s LYS 47 N 0.05 1.67 0.13 2.90 3.01 -1.26 -0.60 119.74 125.63 3i9d s LYS 47 Ca -0.01 -0.66 -0.17 0.00 -1.01 0.00 0.00 55.97 54.13 3i9d s LYS 47 Cb -0.07 -1.54 0.04 0.00 -1.01 0.00 0.00 37.83 35.25 3i9d s LYS 47 CO 0.00 0.34 0.42 0.00 0.51 0.00 0.00 175.35 176.62 3i9d s ALA 48 N -0.25 -0.97 -0.46 5.17 0.00 -1.04 -4.93 121.76 119.28 3i9d s ALA 48 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.96 3i9d s ALA 48 Cb -0.09 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.74 3i9d s ALA 48 CO 0.01 -0.66 0.10 -2.30 0.00 0.00 0.00 175.76 172.91 3i9d n PRO 49 N -0.24 0.13 -3.63 0.00 -0.02 -1.26 -2.32 135.00 127.66 3i9d n PRO 49 Ca -0.16 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.28 3i9d n PRO 49 Cb 0.64 -1.26 -0.05 0.00 -0.02 0.00 0.00 33.50 32.80 3i9d n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3i9d s GLU 50 N 0.00 0.19 0.02 -0.52 2.56 -1.26 -4.89 118.70 114.80 3i9d s GLU 50 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 54.97 55.00 3i9d s GLU 50 Cb 0.00 0.09 -0.03 0.00 2.00 0.00 0.00 34.13 36.19 3i9d s GLU 50 CO 0.00 -0.05 1.10 0.28 -0.56 0.00 0.00 175.26 176.03 3i9d h VAL 51 N 2.50 0.00 -0.16 3.70 2.07 -1.92 0.33 116.25 122.78 3i9d h VAL 51 Ca -0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3i9d h VAL 51 Cb 1.18 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3i9d h VAL 51 CO 0.22 0.00 -0.24 -0.65 0.02 0.00 0.00 177.57 176.92 3i9d h PRO 52 N -0.15 -0.17 -0.95 1.57 0.11 -1.98 0.58 132.00 131.02 3i9d h PRO 52 Ca -0.00 0.01 0.29 0.00 0.11 0.00 0.00 66.00 66.41 3i9d h PRO 52 Cb 0.14 0.04 -0.16 0.00 0.11 0.00 0.00 31.00 31.14 3i9d h PRO 52 CO -0.05 -0.12 0.33 -0.07 -0.21 0.00 0.00 178.00 177.88 3i9d h LEU 53 N -0.18 0.09 -0.16 2.35 4.07 -1.96 0.68 115.31 120.20 3i9d h LEU 53 Ca 0.03 0.22 -0.20 0.00 0.08 0.00 0.00 57.88 58.01 3i9d h LEU 53 Cb 0.26 0.27 0.01 0.00 1.08 0.00 0.00 40.66 42.28 3i9d h LEU 53 CO -0.24 -0.23 -0.67 0.00 -1.08 0.00 0.00 178.44 176.22 3i9d h ALA 54 N 1.86 0.30 0.00 1.53 0.00 0.51 -2.52 119.26 120.95 3i9d h ALA 54 Ca 0.65 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i9d h ALA 54 Cb 1.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3i9d h ALA 54 CO -0.71 0.60 0.00 0.28 0.00 0.00 0.00 179.25 179.42 3i9d h VAL 55 N 0.45 0.00 0.20 0.00 2.07 0.23 -2.06 116.25 117.13 3i9d h VAL 55 Ca -0.04 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3i9d h VAL 55 Cb 1.30 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3i9d h VAL 55 CO 0.14 0.00 -0.09 -0.61 0.02 0.00 0.00 177.57 177.03 3i9d h GLN 56 N 0.00 -0.25 0.00 1.57 4.15 -0.62 -3.08 115.11 116.87 3i9d h GLN 56 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3i9d h GLN 56 Cb 0.22 0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.96 3i9d h GLN 56 CO 0.00 -0.17 0.00 0.36 -1.93 0.00 0.00 178.83 177.09 3i9d n LYS 57 N -3.45 0.04 0.23 1.69 2.85 -1.11 0.09 118.16 118.50 3i9d n LYS 57 Ca -0.03 0.26 0.12 0.00 -1.05 0.00 0.00 58.31 57.60 3i9d n LYS 57 Cb 0.10 -1.50 0.46 0.00 -0.65 0.00 0.00 35.03 33.44 3i9d n LYS 57 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i9d h ALA 58 N 2.15 0.99 0.02 0.58 0.00 -1.28 -2.67 119.26 119.03 3i9d h ALA 58 Ca 0.00 -0.13 -0.38 0.00 0.00 0.00 0.00 54.91 54.40 3i9d h ALA 58 Cb 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3i9d h ALA 58 CO 0.00 0.18 -2.15 0.41 0.00 0.00 0.00 179.25 177.68 3i9d n GLY 59 N 0.33 -0.54 0.24 0.00 0.00 0.11 -3.43 105.19 101.90 3i9d n GLY 59 Ca 0.01 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 45.95 3i9d n GLY 59 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3i9d h TYR 60 N -0.67 0.24 -0.29 1.61 5.03 -1.57 -1.38 116.97 119.94 3i9d h TYR 60 Ca -0.56 0.04 -0.09 0.00 2.58 0.00 0.00 58.73 60.70 3i9d h TYR 60 Cb 1.65 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.91 3i9d h TYR 60 CO 0.00 -0.03 -0.15 1.88 -1.32 0.00 0.00 178.16 178.53 3i9d h TYR 61 N 0.28 0.71 -0.02 -3.82 0.05 -1.68 -3.33 116.97 109.15 3i9d h TYR 61 Ca 0.34 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.95 3i9d h TYR 61 Cb 0.53 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 3i9d h TYR 61 CO -0.25 0.86 -0.04 0.00 -1.05 0.00 0.00 178.16 177.68 3i9d h ALA 62 N 0.74 -0.40 0.00 3.88 0.00 -1.30 -0.98 119.26 121.21 3i9d h ALA 62 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i9d h ALA 62 Cb 0.68 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3i9d h ALA 62 CO 0.05 -0.41 0.00 0.54 0.00 0.00 0.00 179.25 179.42 3i9d n ARG 63 N -2.83 0.00 -0.37 0.00 1.74 -0.82 0.44 116.66 114.82 3i9d n ARG 63 Ca -0.00 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.14 3i9d n ARG 63 Cb 0.03 -1.46 0.19 0.00 -1.02 0.00 0.00 32.46 30.19 3i9d n ARG 63 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3i9d n ARG 64 N -0.74 1.74 -2.74 5.56 0.63 -0.37 -4.70 116.66 116.04 3i9d n ARG 64 Ca 0.00 -2.89 -0.09 0.00 -0.92 0.00 0.00 57.85 53.95 3i9d n ARG 64 Cb 0.00 -1.64 0.09 0.00 0.45 0.00 0.00 32.46 31.36 3i9d n ARG 64 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3i9d n ASN 65 N -1.15 -1.68 -4.87 6.15 5.15 0.17 -5.07 115.26 113.96 3i9d n ASN 65 Ca 0.20 -3.00 -0.24 0.00 -0.60 0.00 0.00 54.58 50.94 3i9d n ASN 65 Cb 0.76 1.17 -0.02 0.00 -0.53 0.00 0.00 39.78 41.16 3i9d n ASN 65 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3i9d s MET 66 N -0.17 2.32 0.04 1.20 -1.94 -1.26 -3.23 119.30 116.27 3i9d s MET 66 Ca 0.23 -1.86 -0.25 0.00 -1.71 0.00 0.00 55.69 52.10 3i9d s MET 66 Cb 0.36 -2.16 0.06 0.00 2.01 0.00 0.00 34.83 35.10 3i9d s MET 66 CO -0.06 -0.44 0.59 0.54 -0.01 0.00 0.00 175.02 175.63 3i9d s VAL 67 N -2.67 0.01 -0.17 -6.03 0.11 0.55 -4.92 120.40 107.28 3i9d s VAL 67 Ca 0.39 -0.11 -0.35 0.00 -2.93 0.00 0.00 61.98 58.99 3i9d s VAL 67 Cb -0.02 -0.98 -0.12 0.00 -1.53 0.00 0.00 36.38 33.74 3i9d s VAL 67 CO 0.23 -0.06 1.95 -1.84 -3.33 0.00 0.00 175.10 172.05 3i9d n GLU 68 N 0.43 1.83 -3.40 1.54 0.28 -1.26 -3.49 120.64 116.56 3i9d n GLU 68 Ca -0.18 0.64 -0.37 0.00 -0.16 0.00 0.00 57.16 57.09 3i9d n GLU 68 Cb 0.60 -2.59 -0.04 0.00 1.43 0.00 0.00 31.44 30.84 3i9d n GLU 68 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3i9d n VAL 69 N 5.65 3.66 -1.51 3.84 0.31 0.14 -4.71 118.33 125.71 3i9d n VAL 69 Ca 0.27 -5.38 -0.14 0.00 -0.01 0.00 0.00 64.34 59.08 3i9d n VAL 69 Cb 0.27 -2.27 -0.11 0.00 -0.91 0.00 0.00 33.84 30.82 3i9d n VAL 69 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3i9d n PRO 70 N 1.80 0.32 0.00 5.55 -0.04 -1.26 -4.63 135.00 136.74 3i9d n PRO 70 Ca 0.25 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 3i9d n PRO 70 Cb 0.37 -2.98 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 3i9d n PRO 70 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i9d n LEU 71 N 15.17 0.00 0.00 1.53 4.77 -1.26 -4.32 117.00 132.88 3i9d n LEU 71 Ca 0.48 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3i9d n LEU 71 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3i9d n LEU 71 CO 0.67 -0.49 0.00 0.00 -1.33 0.00 0.00 177.39 176.24 3i9d n GLN 72 N -0.64 0.00 0.00 3.23 6.02 -1.08 -4.77 117.38 120.14 3i9d n GLN 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3i9d n GLN 72 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3i9d n GLN 72 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3i9d n ASN 73 N 0.00 0.00 0.00 1.08 4.05 -1.26 -1.67 115.26 117.46 3i9d n ASN 73 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 3i9d n ASN 73 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 3i9d n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i9d n GLY 74 N 0.00 0.00 0.00 8.20 0.00 -1.26 -4.99 105.19 107.14 3i9d n GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9d n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3i9d n THR 75 N 0.00 0.00 -4.31 2.61 5.66 -0.67 0.31 114.28 117.88 3i9d n THR 75 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 3i9d n THR 75 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 3i9d n THR 75 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3i9d s ILE 76 N 0.99 2.05 -0.01 1.09 -4.36 -1.26 -2.63 121.20 117.08 3i9d s ILE 76 Ca 0.00 -1.79 -0.10 0.00 -0.26 0.00 0.00 60.65 58.50 3i9d s ILE 76 Cb 0.00 -2.85 -0.05 0.00 1.25 0.00 0.00 42.46 40.81 3i9d s ILE 76 CO 0.00 0.00 0.69 1.55 0.24 0.00 0.00 174.94 177.42 3i9d h PRO 77 N 1.46 -0.33 -5.08 0.37 0.13 -1.86 -3.45 132.00 123.23 3i9d h PRO 77 Ca -0.43 0.02 -0.64 0.00 -0.87 0.00 0.00 66.00 64.09 3i9d h PRO 77 Cb 1.26 0.08 -0.13 0.00 0.13 0.00 0.00 31.00 32.34 3i9d h PRO 77 CO 0.72 -0.22 -0.50 -3.38 -0.23 0.00 0.00 178.00 174.39 3i9d s HIS 78 N -2.96 1.77 -0.38 1.56 -3.43 -1.26 -4.96 115.29 105.63 3i9d s HIS 78 Ca -0.05 -1.16 -0.17 0.00 -0.80 0.00 0.00 55.06 52.89 3i9d s HIS 78 Cb 0.01 -1.39 0.00 0.00 -1.43 0.00 0.00 32.58 29.77 3i9d s HIS 78 CO 0.15 -0.05 0.42 -1.83 -2.00 0.00 0.00 174.74 171.43 3i9d s GLU 79 N -3.79 3.36 0.15 -0.38 4.04 -1.26 -4.55 118.70 116.27 3i9d s GLU 79 Ca 0.11 -0.54 -0.01 0.00 0.04 0.00 0.00 54.97 54.57 3i9d s GLU 79 Cb 0.01 -3.88 -0.04 0.00 0.02 0.00 0.00 34.13 30.23 3i9d s GLU 79 CO 0.07 -0.70 0.33 -1.50 -1.84 0.00 0.00 175.26 171.63 3i9d s ILE 80 N 2.13 5.26 -0.44 1.83 1.10 -1.08 -4.96 121.20 125.04 3i9d s ILE 80 Ca 0.13 -0.34 0.07 0.00 -0.51 0.00 0.00 60.65 60.00 3i9d s ILE 80 Cb -0.17 -3.69 0.24 0.00 0.15 0.00 0.00 42.46 38.99 3i9d s ILE 80 CO 0.13 -0.05 0.67 -0.62 -2.11 0.00 0.00 174.94 172.96 3i9d n GLU 81 N -0.29 0.71 -1.96 3.50 1.02 -1.26 -1.28 120.64 121.07 3i9d n GLU 81 Ca -0.05 -2.58 -0.29 0.00 -0.02 0.00 0.00 57.16 54.23 3i9d n GLU 81 Cb 0.53 -1.34 0.07 0.00 -0.02 0.00 0.00 31.44 30.67 3i9d n GLU 81 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i9d s VAL 82 N -0.29 2.73 0.00 2.62 1.01 -1.17 -4.89 120.40 120.41 3i9d s VAL 82 Ca 0.34 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.51 3i9d s VAL 82 Cb 0.18 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 3i9d s VAL 82 CO -0.17 -0.28 -0.08 -1.61 0.00 0.00 0.00 175.10 172.96 3i9d s GLU 83 N -5.42 0.65 -0.27 2.72 2.02 -1.26 -2.28 118.70 114.86 3i9d s GLU 83 Ca 0.60 -0.35 0.01 0.00 0.02 0.00 0.00 54.97 55.24 3i9d s GLU 83 Cb -0.11 -0.61 0.08 0.00 0.10 0.00 0.00 34.13 33.58 3i9d s GLU 83 CO 0.49 0.16 0.00 0.12 0.02 0.00 0.00 175.26 176.06 3i9d s PHE 84 N -0.32 2.41 0.00 1.61 5.36 0.13 -5.00 117.98 122.17 3i9d s PHE 84 Ca 0.02 -1.93 0.00 0.00 -0.96 0.00 0.00 56.93 54.06 3i9d s PHE 84 Cb -0.04 -1.82 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 3i9d s PHE 84 CO -0.00 -0.82 0.00 0.41 -1.46 0.00 0.00 175.22 173.35 3i9d n GLY 85 N 4.66 0.92 0.00 13.12 0.00 -1.26 -1.18 105.19 121.45 3i9d n GLY 85 Ca -0.07 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3i9d n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9d n ALA 86 N 4.76 1.50 -2.95 4.61 0.00 -1.26 -5.02 120.51 122.15 3i9d n ALA 86 Ca 0.00 -0.24 -0.36 0.00 0.00 0.00 0.00 53.44 52.85 3i9d n ALA 86 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 3i9d n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i9d s SER 87 N -0.16 5.26 -0.09 0.00 0.01 -0.33 -1.32 113.70 117.08 3i9d s SER 87 Ca 0.00 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.16 3i9d s SER 87 Cb 0.00 -1.92 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 3i9d s SER 87 CO 0.00 0.06 -0.08 -0.75 0.41 0.00 0.00 173.24 172.88 3i9d s LYS 88 N 1.06 2.95 -0.04 12.44 2.20 -1.25 0.19 119.74 137.29 3i9d s LYS 88 Ca 0.04 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 55.09 3i9d s LYS 88 Cb -0.14 -2.62 0.01 0.00 -1.51 0.00 0.00 37.83 33.57 3i9d s LYS 88 CO 0.03 0.53 -0.09 -1.50 -0.36 0.00 0.00 175.35 173.97 3i9d s ILE 89 N -0.46 0.80 -0.11 5.43 2.07 -0.96 0.11 121.20 128.08 3i9d s ILE 89 Ca 0.07 -0.32 0.00 0.00 -1.41 0.00 0.00 60.65 58.99 3i9d s ILE 89 Cb -0.12 -0.74 -0.02 0.00 0.13 0.00 0.00 42.46 41.70 3i9d s ILE 89 CO 0.02 0.27 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.51 3i9d s VAL 90 N 0.52 3.23 -0.09 4.00 1.01 -0.67 -3.04 120.40 125.35 3i9d s VAL 90 Ca -0.09 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3i9d s VAL 90 Cb -0.12 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3i9d s VAL 90 CO 0.01 0.55 -0.22 -0.76 0.00 0.00 0.00 175.10 174.67 3i9d s LEU 91 N -0.05 2.03 -0.07 3.92 1.02 -0.41 -1.82 118.68 123.31 3i9d s LEU 91 Ca -0.02 -0.52 0.01 0.00 0.02 0.00 0.00 54.13 53.62 3i9d s LEU 91 Cb -0.14 -1.32 0.02 0.00 0.02 0.00 0.00 46.19 44.77 3i9d s LEU 91 CO 0.04 0.14 -0.07 -0.54 0.02 0.00 0.00 176.35 175.94 3i9d s LYS 92 N 0.37 1.19 -0.01 1.70 1.02 0.38 -2.64 119.74 121.76 3i9d s LYS 92 Ca -0.18 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 3i9d s LYS 92 Cb -0.18 -1.15 -0.07 0.00 -0.52 0.00 0.00 37.83 35.91 3i9d s LYS 92 CO 0.08 -0.10 1.85 -1.25 -0.92 0.00 0.00 175.35 175.01 3i9d s PRO 93 N 1.08 4.13 -0.09 -1.68 0.04 -1.26 -0.94 135.00 136.28 3i9d s PRO 93 Ca -0.08 2.42 -0.05 0.00 0.04 0.00 0.00 61.00 63.34 3i9d s PRO 93 Cb -0.14 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 3i9d s PRO 93 CO -0.01 -0.94 0.10 0.00 0.04 0.00 0.00 177.00 176.19 3i9d s ALA 94 N 4.39 3.70 0.45 8.56 0.00 -1.25 -4.83 121.76 132.78 3i9d s ALA 94 Ca 0.83 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 51.82 3i9d s ALA 94 Cb -0.39 -1.79 -0.08 0.00 0.00 0.00 0.00 23.12 20.87 3i9d s ALA 94 CO 0.37 0.63 1.30 0.00 0.00 0.00 0.00 175.76 178.06 3i9d s ALA 95 N -1.04 3.11 0.43 0.00 0.00 -1.26 -4.46 121.76 118.54 3i9d s ALA 95 Ca 0.17 1.22 -0.26 0.00 0.00 0.00 0.00 51.96 53.09 3i9d s ALA 95 Cb -0.12 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 3i9d s ALA 95 CO 0.06 -0.94 1.36 -0.35 0.00 0.00 0.00 175.76 175.89 3i9d n PRO 96 N -0.26 2.15 0.00 0.00 -0.04 -1.26 -3.05 135.00 132.54 3i9d n PRO 96 Ca 0.06 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 3i9d n PRO 96 Cb 0.44 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 3i9d n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i9d n GLY 97 N 0.67 1.15 0.76 0.55 0.00 -1.26 -4.99 105.19 102.08 3i9d n GLY 97 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 3i9d n GLY 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i9d n THR 98 N -1.70 1.31 0.00 2.61 -1.04 -1.17 -5.15 114.28 109.15 3i9d n THR 98 Ca 0.00 0.33 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 3i9d n THR 98 Cb 0.00 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 66.70 3i9d n THR 98 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i9d n GLY 99 N 2.89 -1.19 3.36 3.41 0.00 -1.17 -4.99 105.19 107.50 3i9d n GLY 99 Ca -0.04 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.55 3i9d n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9d s VAL 100 N 0.00 2.39 -0.25 1.61 1.01 -1.10 -2.54 120.40 121.53 3i9d s VAL 100 Ca 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 3i9d s VAL 100 Cb 0.00 -1.87 0.08 0.00 0.00 0.00 0.00 36.38 34.58 3i9d s VAL 100 CO 0.00 0.58 0.05 0.27 0.00 0.00 0.00 175.10 176.00 3i9d s ILE 101 N -0.59 0.78 0.25 2.22 -0.00 -1.08 -4.98 121.20 117.80 3i9d s ILE 101 Ca 0.09 -0.99 -0.21 0.00 -0.00 0.00 0.00 60.65 59.53 3i9d s ILE 101 Cb -0.11 -1.39 0.05 0.00 -0.00 0.00 0.00 42.46 41.02 3i9d s ILE 101 CO 0.00 -0.40 0.87 0.00 -0.00 0.00 0.00 174.94 175.41 3i9d s ALA 102 N 1.71 -1.31 0.92 2.27 0.00 -1.26 -2.99 121.76 121.09 3i9d s ALA 102 Ca 0.03 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 3i9d s ALA 102 Cb -0.17 0.73 0.14 0.00 0.00 0.00 0.00 23.12 23.81 3i9d s ALA 102 CO -0.16 -1.03 1.09 0.20 0.00 0.00 0.00 175.76 175.86 3i9d s GLY 103 N -3.05 1.62 0.30 0.00 0.00 -1.26 -4.66 107.32 100.28 3i9d s GLY 103 Ca 0.14 0.03 0.06 0.00 0.00 0.00 0.00 44.72 44.95 3i9d s GLY 103 CO 0.06 0.52 1.73 0.00 0.00 0.00 0.00 173.10 175.42 3i9d h ALA 104 N -1.66 1.61 -0.96 3.20 0.00 -2.02 -0.67 119.26 118.76 3i9d h ALA 104 Ca -0.50 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3i9d h ALA 104 Cb 1.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3i9d h ALA 104 CO 0.52 -0.22 0.00 0.28 0.00 0.00 0.00 179.25 179.83 3i9d n VAL 105 N -4.90 0.00 -0.30 0.00 0.31 -1.26 -2.31 118.33 109.87 3i9d n VAL 105 Ca 0.24 1.05 0.14 0.00 -0.01 0.00 0.00 64.34 65.76 3i9d n VAL 105 Cb 0.65 -1.96 0.31 0.00 -0.91 0.00 0.00 33.84 31.93 3i9d n VAL 105 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3i9d h PRO 106 N 0.00 0.28 0.00 5.55 0.13 -1.91 -1.82 132.00 134.24 3i9d h PRO 106 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3i9d h PRO 106 Cb 0.00 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.07 3i9d h PRO 106 CO 0.00 0.19 0.00 -2.13 -0.23 0.00 0.00 178.00 175.83 3i9d n ARG 107 N -5.14 0.00 0.00 0.86 0.63 -0.26 -1.28 116.66 111.46 3i9d n ARG 107 Ca 0.22 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.87 3i9d n ARG 107 Cb 0.70 -1.43 0.00 0.00 0.45 0.00 0.00 32.46 32.17 3i9d n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i9d n ALA 108 N -2.32 0.00 -0.32 5.13 0.00 -0.69 -0.11 120.51 122.20 3i9d n ALA 108 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3i9d n ALA 108 Cb 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.47 3i9d n ALA 108 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i9d h ILE 109 N 0.00 0.00 -0.77 0.00 2.04 -1.50 -0.25 117.51 117.03 3i9d h ILE 109 Ca 0.00 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.08 3i9d h ILE 109 Cb 0.00 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 3i9d h ILE 109 CO 0.00 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.70 3i9d h LEU 110 N -0.01 0.00 0.21 1.44 3.38 0.87 -1.19 115.31 120.01 3i9d h LEU 110 Ca 0.12 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.75 3i9d h LEU 110 Cb 0.32 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.09 3i9d h LEU 110 CO -0.72 0.00 -1.61 -0.33 0.09 0.00 0.00 178.44 175.87 3i9d h GLU 111 N 0.00 0.45 -1.06 1.13 5.08 0.71 -3.24 114.58 117.66 3i9d h GLU 111 Ca 0.37 -0.78 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3i9d h GLU 111 Cb 1.61 0.29 0.00 0.00 0.50 0.00 0.00 28.75 31.15 3i9d h GLU 111 CO -0.00 1.37 0.00 1.28 -1.00 0.00 0.00 179.01 180.65 3i9d n LEU 112 N -3.64 1.25 -0.35 1.33 4.77 -0.46 -0.17 117.00 119.73 3i9d n LEU 112 Ca -0.20 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 3i9d n LEU 112 Cb 1.09 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 3i9d n LEU 112 CO 0.56 0.23 0.22 0.00 -1.33 0.00 0.00 177.39 177.07 3i9d n ALA 113 N 0.49 1.71 0.00 -1.18 0.00 -1.20 -3.07 120.51 117.26 3i9d n ALA 113 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3i9d n ALA 113 Cb 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i9d n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9d n GLY 114 N 0.00 1.57 2.86 0.00 0.00 0.76 -3.93 105.19 106.45 3i9d n GLY 114 Ca 0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.32 3i9d n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i9d n VAL 115 N 0.00-10.42 0.11 1.61 0.31 -1.19 -3.97 118.33 104.78 3i9d n VAL 115 Ca 0.00 1.25 0.04 0.00 -0.01 0.00 0.00 64.34 65.62 3i9d n VAL 115 Cb 0.00 -6.59 0.00 0.00 -0.91 0.00 0.00 33.84 26.35 3i9d n VAL 115 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3i9d h THR 116 N 2.60 0.49 -3.44 2.52 2.02 -0.48 -3.44 112.91 113.18 3i9d h THR 116 Ca -0.04 -1.78 -0.48 0.00 0.77 0.00 0.00 66.41 64.88 3i9d h THR 116 Cb 0.58 2.09 -0.34 0.00 -1.74 0.00 0.00 68.15 68.74 3i9d h THR 116 CO 0.14 0.28 -0.80 -1.81 0.37 0.00 0.00 175.52 173.70 3i9d s ASP 117 N -6.02 1.50 -0.29 4.18 1.11 -1.22 -2.69 116.67 113.24 3i9d s ASP 117 Ca 0.01 -0.24 -0.18 0.00 0.18 0.00 0.00 52.55 52.32 3i9d s ASP 117 Cb 0.08 -0.70 0.18 0.00 1.07 0.00 0.00 42.92 43.54 3i9d s ASP 117 CO 0.76 0.01 1.17 -0.51 1.18 0.00 0.00 175.17 177.78 3i9d s ILE 118 N 0.73 0.00 -0.19 0.77 1.10 -1.05 -3.92 121.20 118.64 3i9d s ILE 118 Ca -0.14 0.00 -0.09 0.00 -0.51 0.00 0.00 60.65 59.92 3i9d s ILE 118 Cb -0.15 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.41 3i9d s ILE 118 CO 0.03 0.00 0.09 -0.76 -2.11 0.00 0.00 174.94 172.19 3i9d s LEU 119 N 0.91 4.00 0.21 8.50 1.43 -0.11 -2.62 118.68 131.00 3i9d s LEU 119 Ca -0.05 0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.12 3i9d s LEU 119 Cb -0.03 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 3i9d s LEU 119 CO -0.12 0.18 0.33 0.42 0.23 0.00 0.00 176.35 177.39 3i9d s THR 120 N 0.34 0.01 -0.07 5.49 -4.23 -1.16 -0.47 115.64 115.56 3i9d s THR 120 Ca 0.05 -1.58 -0.17 0.00 -1.18 0.00 0.00 61.69 58.82 3i9d s THR 120 Cb -0.12 -2.21 0.04 0.00 1.34 0.00 0.00 72.50 71.55 3i9d s THR 120 CO -0.01 -0.07 0.40 -0.75 -0.54 0.00 0.00 174.62 173.65 3i9d s LYS 121 N -4.05 0.66 -0.48 3.99 2.47 -0.75 -4.75 119.74 116.83 3i9d s LYS 121 Ca 0.26 0.14 -0.10 0.00 -1.56 0.00 0.00 55.97 54.70 3i9d s LYS 121 Cb 0.02 0.30 0.12 0.00 -1.46 0.00 0.00 37.83 36.81 3i9d s LYS 121 CO 0.08 -0.16 0.36 -1.21 0.16 0.00 0.00 175.35 174.58 3i9d s GLU 122 N -0.77 2.59 0.00 4.03 2.02 -1.26 -1.67 118.70 123.63 3i9d s GLU 122 Ca -0.09 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.19 3i9d s GLU 122 Cb -0.04 -3.98 0.00 0.00 0.10 0.00 0.00 34.13 30.21 3i9d s GLU 122 CO 0.04 -1.19 0.00 1.28 0.02 0.00 0.00 175.26 175.41 3i9d n LEU 123 N 4.97 0.00 0.00 1.80 4.77 0.31 -4.93 117.00 123.92 3i9d n LEU 123 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3i9d n LEU 123 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3i9d n LEU 123 CO 0.45 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3i9d n GLY 124 N 5.00 0.61 3.77 -0.72 0.00 -1.26 -3.83 105.19 108.76 3i9d n GLY 124 Ca 0.00 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 3i9d n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i9d s SER 125 N -2.10 6.74 -0.41 1.61 0.15 -0.44 -4.81 113.70 114.44 3i9d s SER 125 Ca 0.00 2.45 0.05 0.00 0.70 0.00 0.00 55.95 59.15 3i9d s SER 125 Cb 0.00 -2.63 0.61 0.00 -1.71 0.00 0.00 66.02 62.29 3i9d s SER 125 CO 0.00 -0.53 1.78 0.54 1.20 0.00 0.00 173.24 176.23 3i9d n ARG 126 N 0.52 2.17 -1.94 5.44 1.74 -1.26 -4.36 116.66 118.98 3i9d n ARG 126 Ca 0.02 -3.10 -0.42 0.00 -0.77 0.00 0.00 57.85 53.57 3i9d n ARG 126 Cb 0.45 -2.08 -0.03 0.00 -1.02 0.00 0.00 32.46 29.78 3i9d n ARG 126 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3i9d s ASN 127 N -1.73 6.61 0.00 0.55 3.84 -1.26 -4.89 114.94 118.05 3i9d s ASN 127 Ca 0.54 2.32 0.00 0.00 0.21 0.00 0.00 52.86 55.93 3i9d s ASN 127 Cb 0.46 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.63 3i9d s ASN 127 CO 0.07 -0.96 0.75 -2.65 -2.79 0.00 0.00 177.10 171.52 3i9d n PRO 128 N 7.23 0.00 -0.30 0.43 -0.02 -1.26 0.51 135.00 141.59 3i9d n PRO 128 Ca 0.18 0.68 -0.08 0.00 -2.02 0.00 0.00 63.50 62.26 3i9d n PRO 128 Cb 0.42 -1.25 -0.07 0.00 -0.02 0.00 0.00 33.50 32.58 3i9d n PRO 128 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i9d n ILE 129 N -1.90 -0.48 -0.06 4.25 5.41 -1.26 0.67 119.36 125.99 3i9d n ILE 129 Ca 0.00 1.86 0.00 0.00 1.00 0.00 0.00 62.75 65.61 3i9d n ILE 129 Cb 0.00 -2.31 0.30 0.00 -0.71 0.00 0.00 39.64 36.92 3i9d n ILE 129 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3i9d h ASN 130 N 0.00 0.61 -0.14 4.38 2.35 -1.84 -1.86 115.58 119.07 3i9d h ASN 130 Ca 0.11 -0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.64 3i9d h ASN 130 Cb 0.29 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3i9d h ASN 130 CO -0.67 0.56 -0.44 0.40 -1.65 0.00 0.00 177.43 175.63 3i9d h ILE 131 N 0.67 1.29 0.00 2.81 1.08 0.34 -1.69 117.51 122.02 3i9d h ILE 131 Ca 0.16 -1.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.01 3i9d h ILE 131 Cb 0.14 1.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 3i9d h ILE 131 CO -0.02 0.52 0.00 0.00 -0.69 0.00 0.00 178.15 177.97 3i9d n ALA 132 N -2.52 -0.20 -0.29 1.87 0.00 0.21 -1.49 120.51 118.09 3i9d n ALA 132 Ca -0.02 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.70 3i9d n ALA 132 Cb 0.55 0.09 0.52 0.00 0.00 0.00 0.00 19.45 20.62 3i9d n ALA 132 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i9d n TYR 133 N -1.46 0.96 0.11 0.00 4.02 -0.76 -0.10 117.16 119.93 3i9d n TYR 133 Ca 0.00 0.97 -0.09 0.00 -0.01 0.00 0.00 57.90 58.77 3i9d n TYR 133 Cb 0.00 -1.39 -0.05 0.00 -0.02 0.00 0.00 39.34 37.88 3i9d n TYR 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i9d h ALA 134 N 1.69 -0.88 -0.82 -0.72 0.00 -0.59 -3.11 119.26 114.83 3i9d h ALA 134 Ca 0.74 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.68 3i9d h ALA 134 Cb 2.02 0.57 -0.13 0.00 0.00 0.00 0.00 17.79 20.25 3i9d h ALA 134 CO -0.63 -0.92 -0.46 1.15 0.00 0.00 0.00 179.25 178.38 3i9d h THR 135 N -0.46 0.04 -0.63 0.00 2.02 0.61 -1.80 112.91 112.69 3i9d h THR 135 Ca -0.02 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.23 3i9d h THR 135 Cb 0.42 0.04 -0.10 0.00 -1.74 0.00 0.00 68.15 66.76 3i9d h THR 135 CO -0.08 0.00 -0.56 0.24 0.37 0.00 0.00 175.52 175.50 3i9d h MET 136 N -0.10 -0.24 -0.90 6.66 2.07 -1.55 0.32 114.93 121.19 3i9d h MET 136 Ca 0.23 0.02 0.22 0.00 -2.07 0.00 0.00 59.70 58.09 3i9d h MET 136 Cb 0.54 0.05 -0.12 0.00 -1.87 0.00 0.00 31.60 30.20 3i9d h MET 136 CO -0.85 -0.16 0.40 0.93 1.07 0.00 0.00 176.91 178.31 3i9d h GLU 137 N -0.25 0.40 -1.01 1.72 4.39 -1.27 0.81 114.58 119.37 3i9d h GLU 137 Ca 0.12 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.82 3i9d h GLU 137 Cb 0.53 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.04 3i9d h GLU 137 CO -0.73 0.27 0.66 0.00 -1.16 0.00 0.00 179.01 178.06 3i9d h ALA 138 N 1.71 1.32 0.00 3.43 0.00 -0.00 -1.04 119.26 124.68 3i9d h ALA 138 Ca 0.56 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 3i9d h ALA 138 Cb 1.06 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3i9d h ALA 138 CO -0.52 0.60 -0.00 -0.07 0.00 0.00 0.00 179.25 179.26 3i9d h LEU 139 N 1.31 -0.00 -1.74 0.00 3.38 0.81 -3.20 115.31 115.86 3i9d h LEU 139 Ca 0.39 -0.79 0.34 0.00 0.09 0.00 0.00 57.88 57.91 3i9d h LEU 139 Cb -0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3i9d h LEU 139 CO -0.11 0.79 1.00 -0.09 0.09 0.00 0.00 178.44 180.12 3i9d h ARG 140 N -0.80 0.00 -0.69 1.13 2.43 0.77 0.17 114.38 117.39 3i9d h ARG 140 Ca -0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 3i9d h ARG 140 Cb 0.79 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 30.15 3i9d h ARG 140 CO 0.00 0.00 0.30 1.04 -1.51 0.00 0.00 179.97 179.80 3i9d n GLN 141 N -3.79 2.32 -3.37 0.20 6.02 -0.42 -4.99 117.38 113.35 3i9d n GLN 141 Ca 0.25 -3.08 -0.34 0.00 -0.01 0.00 0.00 57.00 53.83 3i9d n GLN 141 Cb 1.37 -2.03 -0.06 0.00 1.02 0.00 0.00 30.24 30.54 3i9d n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i9d s LEU 142 N -3.22 4.25 -0.00 1.08 1.43 0.60 -5.04 118.68 117.77 3i9d s LEU 142 Ca 0.51 1.03 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 3i9d s LEU 142 Cb 0.44 -3.51 -0.00 0.00 0.03 0.00 0.00 46.19 43.15 3i9d s LEU 142 CO 0.07 0.01 -0.03 -0.13 0.23 0.00 0.00 176.35 176.49 3i9d s ARG 143 N -2.40 0.29 0.22 1.70 1.81 -1.26 -4.95 118.95 114.37 3i9d s ARG 143 Ca 0.43 -0.12 0.05 0.00 -1.72 0.00 0.00 55.73 54.38 3i9d s ARG 143 Cb -0.13 -0.29 -0.03 0.00 -0.45 0.00 0.00 34.95 34.05 3i9d s ARG 143 CO 0.20 0.07 0.26 0.95 -0.68 0.00 0.00 175.30 176.10 3i9d s THR 144 N -0.03 4.87 0.55 0.02 -4.23 -1.26 -4.53 115.64 111.03 3i9d s THR 144 Ca 0.01 -1.12 0.44 0.00 -1.18 0.00 0.00 61.69 59.84 3i9d s THR 144 Cb -0.02 -3.61 0.65 0.00 1.34 0.00 0.00 72.50 70.86 3i9d s THR 144 CO -0.00 -0.28 1.68 0.50 -0.54 0.00 0.00 174.62 175.97 3i9d h LYS 145 N 1.56 0.00 0.00 3.99 3.64 -1.98 0.62 116.57 124.40 3i9d h LYS 145 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3i9d h LYS 145 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3i9d h LYS 145 CO 0.62 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.80 3i9d n ALA 146 N -2.83 0.00 -0.10 5.00 0.00 -1.26 -1.47 120.51 119.85 3i9d n ALA 146 Ca 0.35 0.00 0.26 0.00 0.00 0.00 0.00 53.44 54.05 3i9d n ALA 146 Cb 1.64 0.00 0.63 0.00 0.00 0.00 0.00 19.45 21.73 3i9d n ALA 146 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3i9d h ASP 147 N 0.00 0.00 0.22 0.00 -0.00 -1.90 -0.11 116.42 114.63 3i9d h ASP 147 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.02 3i9d h ASP 147 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.33 3i9d h ASP 147 CO 0.00 0.00 -0.16 0.58 -0.00 0.00 0.00 179.24 179.66 3i9d h VAL 148 N 0.00 0.00 -0.18 4.15 2.07 -0.88 -2.86 116.25 118.56 3i9d h VAL 148 Ca 0.37 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.89 3i9d h VAL 148 Cb 2.02 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3i9d h VAL 148 CO -0.00 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.97 3i9d n GLU 149 N -3.28 1.65 -0.40 1.57 1.02 -0.21 -2.92 120.64 118.08 3i9d n GLU 149 Ca -0.04 -0.75 0.11 0.00 -0.02 0.00 0.00 57.16 56.46 3i9d n GLU 149 Cb 0.16 -1.34 0.33 0.00 -0.02 0.00 0.00 31.44 30.56 3i9d n GLU 149 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3i9d n ARG 150 N 0.11 2.84 0.01 3.49 0.63 -0.28 -3.61 116.66 119.84 3i9d n ARG 150 Ca 0.07 -2.68 0.00 0.00 -0.92 0.00 0.00 57.85 54.31 3i9d n ARG 150 Cb 0.28 -1.60 0.00 0.00 0.45 0.00 0.00 32.46 31.59 3i9d n ARG 150 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3i9d n LEU 151 N 1.58 0.15 0.11 6.15 4.77 -1.15 -4.67 117.00 123.94 3i9d n LEU 151 Ca 0.25 0.04 0.09 0.00 -0.03 0.00 0.00 56.01 56.35 3i9d n LEU 151 Cb 0.65 -0.03 0.43 0.00 -2.33 0.00 0.00 43.42 42.14 3i9d n LEU 151 CO 0.17 -0.24 0.76 0.54 -1.33 0.00 0.00 177.39 177.29 3i9d n ARG 152 N -2.99 0.11 0.00 3.23 1.74 -1.21 -1.88 116.66 115.65 3i9d n ARG 152 Ca 0.00 0.55 0.07 0.00 -0.77 0.00 0.00 57.85 57.70 3i9d n ARG 152 Cb 0.31 -1.82 0.43 0.00 -1.02 0.00 0.00 32.46 30.36 3i9d n ARG 152 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3i9d n LYS 153 N -2.05 0.41 0.00 5.56 -0.00 -1.24 -4.94 118.16 115.90 3i9d n LYS 153 Ca -0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 3i9d n LYS 153 Cb 0.07 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.60 3i9d n LYS 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i9d n GLY 154 N -0.05 2.11 0.00 2.58 0.00 -0.79 -5.11 105.19 103.93 3i9d n GLY 154 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9d n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11