#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iet s VAL 2 N 0.00 4.16 -0.02 -0.39 1.01 -1.26 -4.04 120.40 119.86 3iet s VAL 2 Ca 0.00 1.51 0.04 0.00 0.00 0.00 0.00 61.98 63.54 3iet s VAL 2 Cb 0.00 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 3iet s VAL 2 CO 0.00 0.03 -0.15 -1.58 0.00 0.00 0.00 175.10 173.39 3iet s GLN 3 N 1.95 1.41 -0.28 2.72 2.00 -0.93 -5.00 119.66 121.53 3iet s GLN 3 Ca 0.57 -0.55 -0.02 0.00 -2.00 0.00 0.00 55.36 53.36 3iet s GLN 3 Cb -0.26 -1.31 0.04 0.00 0.80 0.00 0.00 33.01 32.28 3iet s GLN 3 CO 0.24 0.28 -0.03 -0.51 -0.50 0.00 0.00 175.29 174.78 3iet s LEU 4 N -0.16 3.56 -0.35 3.68 1.02 -1.26 -1.96 118.68 123.21 3iet s LEU 4 Ca 0.02 -1.05 -0.06 0.00 0.02 0.00 0.00 54.13 53.06 3iet s LEU 4 Cb -0.08 -1.70 0.05 0.00 0.02 0.00 0.00 46.19 44.48 3iet s LEU 4 CO 0.00 -0.19 0.11 -1.58 0.02 0.00 0.00 176.35 174.71 3iet s GLN 5 N 1.30 2.53 0.62 1.70 2.00 -0.29 -4.02 119.66 123.51 3iet s GLN 5 Ca -0.02 -1.28 -0.16 0.00 -2.00 0.00 0.00 55.36 51.90 3iet s GLN 5 Cb -0.18 -3.46 -0.02 0.00 0.80 0.00 0.00 33.01 30.15 3iet s GLN 5 CO -0.02 -0.73 1.09 -0.65 -0.50 0.00 0.00 175.29 174.48 3iet s GLN 6 N 1.35 3.03 0.24 1.67 1.11 -1.26 -1.01 119.66 124.81 3iet s GLN 6 Ca -0.01 1.34 -0.21 0.00 0.01 0.00 0.00 55.36 56.50 3iet s GLN 6 Cb -0.20 -1.98 0.03 0.00 -1.01 0.00 0.00 33.01 29.84 3iet s GLN 6 CO 0.01 -1.06 0.66 -1.54 0.01 0.00 0.00 175.29 173.38 3iet s SER 7 N -2.58 -0.31 0.00 5.90 1.04 0.21 -4.91 113.70 113.05 3iet s SER 7 Ca 0.66 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.60 3iet s SER 7 Cb -0.19 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3iet s SER 7 CO 0.38 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.99 3iet n GLY 8 N -0.43 0.69 3.72 7.32 0.00 -1.26 -0.82 105.19 114.41 3iet n GLY 8 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 3iet n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iet s GLY 9 N -1.42 1.61 0.00 -0.02 0.00 -1.26 -4.61 107.32 101.62 3iet s GLY 9 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.92 3iet s GLY 9 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.65 3iet n GLY 10 N -1.85 0.08 3.76 0.20 0.00 -0.38 -4.96 105.19 102.04 3iet n GLY 10 Ca 0.11 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 3iet n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iet s LEU 11 N 0.00 4.35 0.00 0.99 2.96 -1.26 -1.27 118.68 124.45 3iet s LEU 11 Ca 0.00 0.90 0.01 0.00 -0.22 0.00 0.00 54.13 54.82 3iet s LEU 11 Cb 0.00 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 3iet s LEU 11 CO 0.00 0.10 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.40 3iet s VAL 12 N 0.05 0.31 0.43 1.68 1.01 0.15 -4.97 120.40 119.06 3iet s VAL 12 Ca 0.26 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 3iet s VAL 12 Cb -0.16 -0.29 -0.08 0.00 0.00 0.00 0.00 36.38 35.85 3iet s VAL 12 CO 0.12 -0.00 1.25 -1.10 0.00 0.00 0.00 175.10 175.37 3iet s GLN 13 N -0.33 3.87 0.31 2.72 -0.21 -1.25 -0.06 119.66 124.70 3iet s GLN 13 Ca -0.01 2.01 -0.28 0.00 0.02 0.00 0.00 55.36 57.10 3iet s GLN 13 Cb -0.03 -2.62 -0.13 0.00 1.00 0.00 0.00 33.01 31.23 3iet s GLN 13 CO -0.00 -0.53 1.15 -2.30 -2.12 0.00 0.00 175.29 171.49 3iet n PRO 14 N -0.11 1.70 0.00 2.91 -0.02 -1.26 -0.67 135.00 137.54 3iet n PRO 14 Ca 0.05 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3iet n PRO 14 Cb 0.45 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3iet n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iet n GLY 15 N 1.10 2.33 3.58 -1.23 0.00 -0.11 -4.92 105.19 105.94 3iet n GLY 15 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 3iet n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iet n GLY 16 N -2.00 -0.60 3.35 -0.02 0.00 0.15 -3.79 105.19 102.28 3iet n GLY 16 Ca 0.00 -1.84 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 3iet n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iet s SER 17 N -5.19 3.01 -0.19 1.61 0.01 -1.26 -1.94 113.70 109.75 3iet s SER 17 Ca 0.66 -0.72 -0.20 0.00 1.31 0.00 0.00 55.95 57.01 3iet s SER 17 Cb -0.02 -0.19 0.05 0.00 0.21 0.00 0.00 66.02 66.07 3iet s SER 17 CO 0.45 0.13 0.55 -0.32 0.41 0.00 0.00 173.24 174.47 3iet s MET 18 N -1.97 0.67 -0.15 12.44 0.00 -0.57 -5.01 119.30 124.72 3iet s MET 18 Ca 0.11 0.68 -0.01 0.00 0.00 0.00 0.00 55.69 56.47 3iet s MET 18 Cb -0.10 0.33 -0.01 0.00 0.00 0.00 0.00 34.83 35.04 3iet s MET 18 CO 0.05 -0.10 -0.11 0.15 0.00 0.00 0.00 175.02 175.01 3iet s LYS 19 N 0.10 3.41 0.24 4.11 1.02 -1.26 -0.95 119.74 126.41 3iet s LYS 19 Ca -0.01 -0.66 0.10 0.00 0.02 0.00 0.00 55.97 55.42 3iet s LYS 19 Cb -0.04 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 3iet s LYS 19 CO 0.02 0.15 -0.11 0.96 -0.92 0.00 0.00 175.35 175.44 3iet s ILE 20 N 0.52 2.96 0.10 2.17 -4.36 -0.62 -4.61 121.20 117.36 3iet s ILE 20 Ca -0.07 -2.01 0.03 0.00 -0.26 0.00 0.00 60.65 58.33 3iet s ILE 20 Cb -0.15 -2.53 -0.04 0.00 1.25 0.00 0.00 42.46 40.99 3iet s ILE 20 CO 0.04 -0.29 -0.08 -0.36 0.24 0.00 0.00 174.94 174.49 3iet s PHE 21 N -2.15 0.98 -0.07 1.37 0.40 -0.00 -0.47 117.98 118.05 3iet s PHE 21 Ca 0.28 -0.77 -0.01 0.00 -0.60 0.00 0.00 56.93 55.82 3iet s PHE 21 Cb -0.07 -0.54 0.03 0.00 0.51 0.00 0.00 43.02 42.95 3iet s PHE 21 CO 0.16 -0.06 0.00 0.00 0.70 0.00 0.00 175.22 176.02 3iet s ALA 23 N 1.86 3.48 0.08 0.00 0.00 -0.18 -1.87 121.76 125.13 3iet s ALA 23 Ca 0.03 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.20 3iet s ALA 23 Cb -0.12 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 3iet s ALA 23 CO -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 175.76 175.67 3iet s ALA 24 N 0.75 3.24 0.13 0.00 0.00 0.03 -1.13 121.76 124.77 3iet s ALA 24 Ca 0.05 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 50.78 3iet s ALA 24 Cb -0.13 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 21.83 3iet s ALA 24 CO 0.02 0.69 0.33 -1.54 0.00 0.00 0.00 175.76 175.25 3iet s SER 25 N -2.17 -0.08 0.00 0.00 1.04 -0.83 -4.82 113.70 106.84 3iet s SER 25 Ca 0.24 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.14 3iet s SER 25 Cb -0.12 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3iet s SER 25 CO 0.16 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.15 3iet n GLY 26 N -0.18 0.74 3.59 7.32 0.00 -1.26 -2.20 105.19 113.20 3iet n GLY 26 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 3iet n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3iet s PHE 27 N -2.45 -0.27 -0.82 1.61 -0.71 -1.26 -4.49 117.98 109.60 3iet s PHE 27 Ca 0.00 -0.07 -0.26 0.00 -1.04 0.00 0.00 56.93 55.57 3iet s PHE 27 Cb 0.00 0.53 0.04 0.00 -1.21 0.00 0.00 43.02 42.38 3iet s PHE 27 CO 0.00 -0.99 1.31 0.99 -1.34 0.00 0.00 175.22 175.19 3iet s THR 28 N -3.85 3.82 0.27 -4.49 2.01 -1.26 -4.88 115.64 107.27 3iet s THR 28 Ca 0.07 0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.05 3iet s THR 28 Cb -0.02 -4.95 0.19 0.00 0.01 0.00 0.00 72.50 67.73 3iet s THR 28 CO -0.03 -1.86 1.86 0.15 -0.69 0.00 0.00 174.62 174.05 3iet h PHE 29 N 9.92 1.00 0.00 4.92 3.57 -1.97 -1.56 116.94 132.83 3iet h PHE 29 Ca -0.14 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.31 3iet h PHE 29 Cb 1.04 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 3iet h PHE 29 CO 1.17 0.75 -0.01 0.66 -2.23 0.00 0.00 178.31 178.65 3iet h SER 30 N 0.99 0.00 1.23 0.41 4.64 -1.90 0.41 113.55 119.32 3iet h SER 30 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3iet h SER 30 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3iet h SER 30 CO -0.03 0.01 -0.16 0.47 -0.87 0.00 0.00 176.83 176.26 3iet n ASP 31 N -3.56 0.65 -4.79 4.97 8.00 -0.59 -2.18 116.55 119.06 3iet n ASP 31 Ca -0.03 0.43 -0.39 0.00 0.71 0.00 0.00 54.79 55.51 3iet n ASP 31 Cb 0.09 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 40.63 3iet n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iet s ALA 32 N -3.09 3.49 -0.24 2.24 0.00 0.13 -4.52 121.76 119.77 3iet s ALA 32 Ca 0.10 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.12 3iet s ALA 32 Cb 0.14 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 3iet s ALA 32 CO 0.62 0.31 0.49 -0.46 0.00 0.00 0.00 175.76 176.72 3iet s TRP 33 N -1.02 3.30 0.04 0.00 -0.11 0.06 -3.65 118.94 117.56 3iet s TRP 33 Ca 0.33 0.64 0.06 0.00 1.22 0.00 0.00 56.10 58.35 3iet s TRP 33 Cb -0.22 -2.68 -0.03 0.00 -1.50 0.00 0.00 33.47 29.04 3iet s TRP 33 CO 0.23 -0.22 -0.12 -1.64 -4.62 0.00 0.00 176.95 170.58 3iet s MET 34 N 2.06 2.25 0.08 5.86 -1.94 -0.64 -1.88 119.30 125.09 3iet s MET 34 Ca 0.21 -0.90 0.04 0.00 -1.71 0.00 0.00 55.69 53.33 3iet s MET 34 Cb -0.16 -2.32 -0.03 0.00 2.01 0.00 0.00 34.83 34.33 3iet s MET 34 CO 0.09 0.55 -0.11 -0.51 -0.01 0.00 0.00 175.02 175.04 3iet s ASP 35 N -1.61 1.38 -0.16 3.03 1.01 0.41 -0.65 116.67 120.07 3iet s ASP 35 Ca 0.17 -0.70 -0.05 0.00 0.71 0.00 0.00 52.55 52.67 3iet s ASP 35 Cb -0.11 -0.00 -0.03 0.00 1.01 0.00 0.00 42.92 43.79 3iet s ASP 35 CO 0.08 -0.20 0.02 0.26 0.21 0.00 0.00 175.17 175.54 3iet s TRP 36 N -1.90 3.15 -0.08 4.23 0.52 -0.03 -1.12 118.94 123.71 3iet s TRP 36 Ca -0.00 -0.07 0.01 0.00 0.02 0.00 0.00 56.10 56.06 3iet s TRP 36 Cb -0.06 -2.01 0.02 0.00 -1.15 0.00 0.00 33.47 30.27 3iet s TRP 36 CO 0.01 0.10 -0.09 0.08 0.02 0.00 0.00 176.95 177.06 3iet s VAL 37 N 0.27 0.99 0.17 4.03 1.01 -0.62 -0.97 120.40 125.29 3iet s VAL 37 Ca 0.01 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.69 3iet s VAL 37 Cb -0.13 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3iet s VAL 37 CO 0.01 0.34 0.13 0.00 0.00 0.00 0.00 175.10 175.58 3iet s ARG 38 N 1.08 2.86 -0.01 2.72 1.70 0.72 -0.13 118.95 127.88 3iet s ARG 38 Ca -0.07 -0.90 0.04 0.00 -0.47 0.00 0.00 55.73 54.32 3iet s ARG 38 Cb -0.14 -2.61 -0.01 0.00 -0.57 0.00 0.00 34.95 31.61 3iet s ARG 38 CO -0.01 0.48 -0.12 -1.14 -1.08 0.00 0.00 175.30 173.42 3iet s GLN 39 N -3.14 1.04 0.11 3.89 0.74 0.45 0.07 119.66 122.82 3iet s GLN 39 Ca 0.31 -0.44 -0.13 0.00 0.05 0.00 0.00 55.36 55.15 3iet s GLN 39 Cb -0.10 -1.00 0.02 0.00 1.10 0.00 0.00 33.01 33.03 3iet s GLN 39 CO 0.23 0.25 0.32 -1.54 -0.55 0.00 0.00 175.29 174.00 3iet s SER 40 N -0.22 -0.09 0.26 6.67 1.04 -0.96 -1.31 113.70 119.09 3iet s SER 40 Ca 0.03 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.03 3iet s SER 40 Cb -0.06 0.42 0.34 0.00 0.10 0.00 0.00 66.02 66.83 3iet s SER 40 CO -0.00 -0.80 1.66 -0.65 0.98 0.00 0.00 173.24 174.43 3iet h PRO 41 N 2.52 0.45 -0.51 4.02 0.11 -1.94 0.32 132.00 136.97 3iet h PRO 41 Ca -0.34 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3iet h PRO 41 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3iet h PRO 41 CO 0.51 0.75 0.00 0.39 -0.21 0.00 0.00 178.00 179.43 3iet n GLU 42 N -4.06 1.38 0.00 1.05 4.71 -1.26 -4.00 120.64 118.46 3iet n GLU 42 Ca -0.01 -0.40 0.00 0.00 -0.01 0.00 0.00 57.16 56.74 3iet n GLU 42 Cb 0.47 -1.33 0.00 0.00 -1.01 0.00 0.00 31.44 29.57 3iet n GLU 42 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 3iet n LYS 43 N -0.06 0.00 0.00 3.49 4.81 -1.19 -5.15 118.16 120.06 3iet n LYS 43 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 3iet n LYS 43 Cb 0.23 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.28 3iet n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3iet n GLY 44 N 0.00 1.90 3.72 3.14 0.00 0.11 -4.66 105.19 109.41 3iet n GLY 44 Ca 0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 3iet n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iet s LEU 45 N 0.00 4.44 -0.05 0.99 1.43 -1.26 -2.26 118.68 121.96 3iet s LEU 45 Ca 0.00 1.95 -0.01 0.00 -1.03 0.00 0.00 54.13 55.03 3iet s LEU 45 Cb 0.00 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.66 3iet s LEU 45 CO 0.00 -0.27 0.03 -0.70 0.23 0.00 0.00 176.35 175.63 3iet s GLU 46 N 0.33 0.27 0.27 1.70 2.12 0.11 -5.00 118.70 118.50 3iet s GLU 46 Ca 0.52 0.22 -0.29 0.00 0.36 0.00 0.00 54.97 55.77 3iet s GLU 46 Cb -0.27 -0.70 -0.10 0.00 0.26 0.00 0.00 34.13 33.33 3iet s GLU 46 CO 0.31 -0.29 1.27 -0.46 -0.54 0.00 0.00 175.26 175.55 3iet s TRP 47 N 1.89 3.23 -0.09 5.30 -0.00 -1.26 -0.20 118.94 127.81 3iet s TRP 47 Ca 0.02 1.40 -0.01 0.00 -0.00 0.00 0.00 56.10 57.52 3iet s TRP 47 Cb -0.12 -3.57 -0.05 0.00 -0.00 0.00 0.00 33.47 29.72 3iet s TRP 47 CO -0.04 -1.60 -0.09 0.28 -0.00 0.00 0.00 176.95 175.50 3iet n VAL 48 N 1.52 0.49 -3.60 5.86 0.31 -0.14 -4.65 118.33 118.13 3iet n VAL 48 Ca 0.02 -0.17 -0.06 0.00 -0.01 0.00 0.00 64.34 64.12 3iet n VAL 48 Cb 0.43 -1.04 -0.04 0.00 -0.91 0.00 0.00 33.84 32.28 3iet n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iet s ALA 49 N -2.17 -2.02 0.11 3.52 0.00 -1.18 -0.40 121.76 119.62 3iet s ALA 49 Ca -0.12 1.63 0.03 0.00 0.00 0.00 0.00 51.96 53.50 3iet s ALA 49 Cb 0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3iet s ALA 49 CO 0.19 -0.41 -0.08 -1.83 0.00 0.00 0.00 175.76 173.62 3iet s GLU 50 N -1.68 0.89 -0.04 0.00 -1.05 -0.11 -0.85 118.70 115.86 3iet s GLU 50 Ca 0.05 -1.31 -0.01 0.00 -0.15 0.00 0.00 54.97 53.55 3iet s GLU 50 Cb -0.01 -0.39 0.03 0.00 -0.44 0.00 0.00 34.13 33.32 3iet s GLU 50 CO -0.04 0.03 0.05 -1.50 0.95 0.00 0.00 175.26 174.75 3iet s ILE 51 N -3.24 -0.07 0.61 1.83 2.07 0.18 -2.46 121.20 120.12 3iet s ILE 51 Ca 0.11 0.35 -0.08 0.00 -1.41 0.00 0.00 60.65 59.62 3iet s ILE 51 Cb 0.02 -0.15 0.00 0.00 0.13 0.00 0.00 42.46 42.47 3iet s ILE 51 CO -0.02 0.16 0.95 -0.13 -1.91 0.00 0.00 174.94 173.98 3iet s ARG 52 N 1.81 3.03 0.01 3.50 0.52 0.32 -1.62 118.95 126.53 3iet s ARG 52 Ca 0.01 0.21 -0.00 0.00 -0.52 0.00 0.00 55.73 55.42 3iet s ARG 52 Cb -0.12 -2.20 -0.00 0.00 0.52 0.00 0.00 34.95 33.14 3iet s ARG 52 CO -0.03 -0.72 -0.00 0.09 0.02 0.00 0.00 175.30 174.66 3iet n ASN 52 N -2.67 -0.06 -0.10 0.23 3.02 -1.24 -3.17 115.26 111.27 3iet n ASN 52 Ca 0.05 0.01 -0.10 0.00 -0.03 0.00 0.00 54.58 54.51 3iet n ASN 52 Cb 0.57 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.70 3iet n ASN 52 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3iet h LYS 52 N -0.00 0.49 -1.09 3.52 3.64 -1.74 0.38 116.57 121.77 3iet h LYS 52 Ca -0.01 -0.10 0.31 0.00 -1.27 0.00 0.00 60.65 59.58 3iet h LYS 52 Cb 0.02 -0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 31.66 3iet h LYS 52 CO 0.01 0.52 0.69 0.00 -2.27 0.00 0.00 179.45 178.40 3iet h ALA 53 N 0.94 2.27 -0.65 5.00 0.00 -1.91 0.24 119.26 125.15 3iet h ALA 53 Ca 0.10 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3iet h ALA 53 Cb 0.23 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 3iet h ALA 53 CO -0.00 -0.76 0.15 0.09 0.00 0.00 0.00 179.25 178.73 3iet n ASN 53 N -4.71 5.08 -1.80 0.00 3.02 -0.91 -4.94 115.26 111.01 3iet n ASN 53 Ca 0.29 -3.12 -0.16 0.00 -0.03 0.00 0.00 54.58 51.55 3iet n ASN 53 Cb 1.00 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 39.45 3iet n ASN 53 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3iet n ASN 54 N 0.08 -4.77 -3.06 6.41 3.02 0.83 -2.90 115.26 114.86 3iet n ASN 54 Ca 0.35 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.71 3iet n ASN 54 Cb 1.29 -3.88 -0.00 0.00 -0.61 0.00 0.00 39.78 36.58 3iet n ASN 54 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3iet n HIS 55 N -3.95 -1.70 -1.72 3.10 8.25 0.13 -4.87 115.22 114.46 3iet n HIS 55 Ca -0.19 0.32 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 3iet n HIS 55 Cb 0.64 -2.86 -0.02 0.00 1.12 0.00 0.00 29.99 28.87 3iet n HIS 55 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3iet n GLU 56 N -3.43 2.63 -4.11 -0.41 1.02 -1.14 -4.33 120.64 110.86 3iet n GLU 56 Ca -0.05 0.94 -0.29 0.00 -0.02 0.00 0.00 57.16 57.74 3iet n GLU 56 Cb 0.56 -2.73 -0.07 0.00 -0.02 0.00 0.00 31.44 29.18 3iet n GLU 56 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3iet s THR 57 N 0.48 4.20 -0.05 2.62 -4.23 -1.26 -0.52 115.64 116.88 3iet s THR 57 Ca 0.70 -1.03 -0.13 0.00 -1.18 0.00 0.00 61.69 60.04 3iet s THR 57 Cb -0.53 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 70.27 3iet s THR 57 CO 0.42 0.03 0.31 -0.31 -0.54 0.00 0.00 174.62 174.52 3iet s TYR 58 N -1.51 -0.24 0.06 3.99 1.51 -1.03 -4.99 117.35 115.15 3iet s TYR 58 Ca 0.28 0.48 0.07 0.00 -1.01 0.00 0.00 57.07 56.89 3iet s TYR 58 Cb -0.11 0.10 -0.03 0.00 -0.11 0.00 0.00 41.96 41.81 3iet s TYR 58 CO 0.20 -0.30 -0.19 0.71 -1.11 0.00 0.00 175.55 174.87 3iet s TYR 59 N -0.76 1.61 0.57 2.71 1.51 -1.26 -0.94 117.35 120.79 3iet s TYR 59 Ca -0.08 -0.39 -0.21 0.00 -1.01 0.00 0.00 57.07 55.38 3iet s TYR 59 Cb -0.04 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.84 3iet s TYR 59 CO 0.03 0.11 1.32 0.00 -1.11 0.00 0.00 175.55 175.90 3iet s ALA 60 N -0.98 2.71 0.53 3.71 0.00 0.46 -4.79 121.76 123.41 3iet s ALA 60 Ca 0.05 1.26 0.31 0.00 0.00 0.00 0.00 51.96 53.57 3iet s ALA 60 Cb -0.09 -3.54 1.77 0.00 0.00 0.00 0.00 23.12 21.25 3iet s ALA 60 CO 0.02 -1.36 2.21 1.49 0.00 0.00 0.00 175.76 178.12 3iet h GLU 61 N 1.26 0.00 0.00 0.00 4.57 -1.93 -1.09 114.58 117.39 3iet h GLU 61 Ca -0.51 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3iet h GLU 61 Cb 1.30 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.89 3iet h GLU 61 CO 0.56 0.04 -0.01 0.66 -1.18 0.00 0.00 179.01 179.08 3iet h SER 62 N 0.00 0.00 0.00 1.04 4.64 -1.94 -3.27 113.55 114.01 3iet h SER 62 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iet h SER 62 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3iet h SER 62 CO 0.01 0.01 0.00 1.33 -0.87 0.00 0.00 176.83 177.31 3iet n VAL 63 N -3.11 0.00 -1.67 0.95 0.24 -0.69 -4.99 118.33 109.05 3iet n VAL 63 Ca 0.01 -0.46 -0.54 0.00 -2.04 0.00 0.00 64.34 61.32 3iet n VAL 63 Cb 0.36 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.70 3iet n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3iet n LYS 64 N -0.57 1.36 0.00 7.34 3.00 -0.50 -0.89 118.16 127.90 3iet n LYS 64 Ca 0.00 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 3iet n LYS 64 Cb 0.01 -2.20 0.00 0.00 0.00 0.00 0.00 35.03 32.84 3iet n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3iet n GLY 65 N 3.70 3.26 0.07 3.14 0.00 -1.26 -4.80 105.19 109.30 3iet n GLY 65 Ca 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 3iet n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iet n ARG 66 N -1.43 0.98 -4.68 1.61 1.74 -0.07 -4.98 116.66 109.83 3iet n ARG 66 Ca 0.00 -0.05 -0.33 0.00 -0.77 0.00 0.00 57.85 56.70 3iet n ARG 66 Cb 0.00 -1.46 -0.12 0.00 -1.02 0.00 0.00 32.46 29.86 3iet n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3iet s PHE 67 N -2.63 2.88 -0.14 -1.55 0.40 -0.89 -1.23 117.98 114.82 3iet s PHE 67 Ca -0.08 -0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 3iet s PHE 67 Cb 0.07 -1.75 0.02 0.00 0.51 0.00 0.00 43.02 41.87 3iet s PHE 67 CO 0.75 0.15 -0.14 0.99 0.70 0.00 0.00 175.22 177.67 3iet s THR 68 N -0.42 1.51 0.10 0.64 2.01 0.90 -4.91 115.64 115.47 3iet s THR 68 Ca 0.06 -0.60 -0.15 0.00 0.31 0.00 0.00 61.69 61.31 3iet s THR 68 Cb -0.12 -1.42 -0.07 0.00 0.01 0.00 0.00 72.50 70.91 3iet s THR 68 CO 0.02 0.45 0.51 -0.51 -0.69 0.00 0.00 174.62 174.40 3iet s ILE 69 N 1.43 4.89 0.00 1.82 2.07 -1.26 -0.11 121.20 130.04 3iet s ILE 69 Ca 0.03 0.85 -0.01 0.00 -1.41 0.00 0.00 60.65 60.12 3iet s ILE 69 Cb -0.13 -3.75 -0.01 0.00 0.13 0.00 0.00 42.46 38.70 3iet s ILE 69 CO -0.09 0.35 0.01 -0.89 -1.91 0.00 0.00 174.94 172.41 3iet s THR 70 N -1.34 0.04 -0.01 4.00 2.01 -0.91 -4.97 115.64 114.47 3iet s THR 70 Ca 0.34 -0.36 -0.05 0.00 0.31 0.00 0.00 61.69 61.92 3iet s THR 70 Cb -0.16 -0.14 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 3iet s THR 70 CO 0.18 -0.20 0.10 0.00 -0.69 0.00 0.00 174.62 174.01 3iet s ARG 71 N -0.59 0.36 -0.29 4.92 1.70 -1.26 -0.36 118.95 123.43 3iet s ARG 71 Ca -0.07 -0.30 -0.01 0.00 -0.47 0.00 0.00 55.73 54.89 3iet s ARG 71 Cb -0.04 0.15 0.09 0.00 -0.57 0.00 0.00 34.95 34.58 3iet s ARG 71 CO -0.00 -0.08 0.08 0.34 -1.08 0.00 0.00 175.30 174.56 3iet s ASP 72 N -1.03 3.81 0.22 -2.89 -1.08 0.85 -4.99 116.67 111.57 3iet s ASP 72 Ca -0.11 -1.46 -0.06 0.00 -0.52 0.00 0.00 52.55 50.39 3iet s ASP 72 Cb -0.06 -0.81 0.18 0.00 -1.46 0.00 0.00 42.92 40.77 3iet s ASP 72 CO 0.01 -0.39 1.72 0.44 0.52 0.00 0.00 175.17 177.47 3iet h ASP 73 N 8.12 0.98 0.05 -0.34 3.45 -1.95 -0.79 116.42 125.93 3iet h ASP 73 Ca -0.15 -0.23 -0.01 0.00 0.43 0.00 0.00 57.03 57.08 3iet h ASP 73 Cb 1.03 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 39.54 3iet h ASP 73 CO 0.44 0.98 -0.03 0.77 -1.57 0.00 0.00 179.24 179.83 3iet h SER 74 N 0.96 0.00 -0.38 6.45 4.64 -1.95 -2.15 113.55 121.12 3iet h SER 74 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3iet h SER 74 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3iet h SER 74 CO 0.01 0.03 0.00 1.17 -0.87 0.00 0.00 176.83 177.18 3iet n LYS 75 N -4.24 2.54 -4.06 4.77 3.00 -0.94 -4.99 118.16 114.22 3iet n LYS 75 Ca -0.03 -2.07 -0.34 0.00 -0.00 0.00 0.00 58.31 55.87 3iet n LYS 75 Cb 0.12 -1.33 -0.02 0.00 0.00 0.00 0.00 35.03 33.79 3iet n LYS 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3iet n SER 76 N 0.80 -1.70 -3.88 3.14 7.64 -0.35 -4.81 113.62 114.47 3iet n SER 76 Ca 0.14 -1.18 -0.11 0.00 1.01 0.00 0.00 58.87 58.73 3iet n SER 76 Cb 0.46 -2.26 -0.12 0.00 -1.01 0.00 0.00 64.21 61.28 3iet n SER 76 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3iet s ARG 77 N -6.98 0.23 0.24 1.43 3.52 -0.93 -0.79 118.95 115.67 3iet s ARG 77 Ca 0.21 -0.17 0.02 0.00 -0.13 0.00 0.00 55.73 55.65 3iet s ARG 77 Cb -0.10 0.09 -0.05 0.00 -1.56 0.00 0.00 34.95 33.33 3iet s ARG 77 CO 0.94 -0.04 0.06 0.00 -0.81 0.00 0.00 175.30 175.45 3iet s MET 78 N -0.63 1.35 0.22 5.12 0.23 -0.78 -0.10 119.30 124.70 3iet s MET 78 Ca -0.07 -1.71 -0.00 0.00 -1.03 0.00 0.00 55.69 52.88 3iet s MET 78 Cb -0.04 -0.35 -0.04 0.00 -1.53 0.00 0.00 34.83 32.86 3iet s MET 78 CO 0.00 -0.22 0.13 -1.54 -2.03 0.00 0.00 175.02 171.36 3iet s SER 79 N -3.29 0.41 -0.13 -1.18 1.04 0.51 -1.08 113.70 109.97 3iet s SER 79 Ca 0.33 -1.40 -0.01 0.00 0.48 0.00 0.00 55.95 55.35 3iet s SER 79 Cb 0.07 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.58 3iet s SER 79 CO 0.11 -0.83 -0.01 -0.22 0.98 0.00 0.00 173.24 173.27 3iet s LEU 80 N -3.20 1.08 -0.29 2.42 2.96 0.38 -2.13 118.68 119.91 3iet s LEU 80 Ca 0.39 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 3iet s LEU 80 Cb 0.07 -0.65 0.00 0.00 0.50 0.00 0.00 46.19 46.11 3iet s LEU 80 CO 0.13 -0.21 0.09 -1.10 -1.32 0.00 0.00 176.35 173.93 3iet s GLN 81 N 1.82 3.16 -0.07 1.98 -0.21 0.84 -1.60 119.66 125.60 3iet s GLN 81 Ca 0.02 -0.81 0.02 0.00 0.02 0.00 0.00 55.36 54.61 3iet s GLN 81 Cb -0.14 -3.38 -0.03 0.00 1.00 0.00 0.00 33.01 30.46 3iet s GLN 81 CO -0.07 -0.42 -0.09 -1.64 -2.12 0.00 0.00 175.29 170.95 3iet s MET 82 N 1.52 2.71 0.16 2.91 -1.94 -0.13 -0.07 119.30 124.46 3iet s MET 82 Ca 0.03 -0.60 0.03 0.00 -1.71 0.00 0.00 55.69 53.45 3iet s MET 82 Cb -0.17 -2.53 -0.05 0.00 2.01 0.00 0.00 34.83 34.09 3iet s MET 82 CO 0.03 0.63 -0.06 -0.80 -0.01 0.00 0.00 175.02 174.81 3iet s ASN 82 N -0.73 1.58 -1.39 3.03 0.01 -0.37 -1.51 114.94 115.55 3iet s ASN 82 Ca 0.11 -1.08 -0.02 0.00 -0.71 0.00 0.00 52.86 51.16 3iet s ASN 82 Cb -0.11 0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.59 3iet s ASN 82 CO 0.01 -0.44 0.43 -1.20 -1.51 0.00 0.00 177.10 174.39 3iet n SER 82 N -0.22 -0.59 -4.77 -1.22 7.64 -1.00 -4.77 113.62 108.68 3iet n SER 82 Ca -0.09 -1.02 -0.37 0.00 1.01 0.00 0.00 58.87 58.41 3iet n SER 82 Cb 0.62 -3.02 0.01 0.00 -1.01 0.00 0.00 64.21 60.81 3iet n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3iet s LEU 82 N -6.95 3.87 0.21 -3.43 1.43 -0.82 -4.64 118.68 108.34 3iet s LEU 82 Ca 0.03 2.36 0.11 0.00 -1.03 0.00 0.00 54.13 55.61 3iet s LEU 82 Cb -0.01 -4.39 -0.05 0.00 0.03 0.00 0.00 46.19 41.78 3iet s LEU 82 CO 0.89 -1.20 -0.23 -0.13 0.23 0.00 0.00 176.35 175.91 3iet s ARG 83 N -2.97 1.54 0.32 1.70 0.52 -1.26 -0.93 118.95 117.86 3iet s ARG 83 Ca 0.69 -1.57 0.09 0.00 -0.52 0.00 0.00 55.73 54.42 3iet s ARG 83 Cb -0.30 -1.80 0.90 0.00 0.52 0.00 0.00 34.95 34.27 3iet s ARG 83 CO 0.34 0.38 1.68 0.00 0.02 0.00 0.00 175.30 177.72 3iet h ALA 84 N 3.01 1.68 0.00 2.13 0.00 -1.97 0.20 119.26 124.32 3iet h ALA 84 Ca -0.45 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3iet h ALA 84 Cb 1.22 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3iet h ALA 84 CO 0.51 -0.44 0.00 -0.85 0.00 0.00 0.00 179.25 178.47 3iet n GLU 85 N -5.05 0.15 0.14 0.00 0.00 -1.26 -1.50 120.64 113.11 3iet n GLU 85 Ca 0.27 0.44 0.13 0.00 0.00 0.00 0.00 57.16 57.99 3iet n GLU 85 Cb 0.80 -1.82 0.32 0.00 0.00 0.00 0.00 31.44 30.75 3iet n GLU 85 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3iet h ASP 86 N 0.00 0.00 -1.82 -1.84 3.32 -0.98 -3.46 116.42 111.65 3iet h ASP 86 Ca 0.00 -0.01 -0.66 0.00 0.02 0.00 0.00 57.03 56.38 3iet h ASP 86 Cb 0.27 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.87 3iet h ASP 86 CO 0.00 0.00 0.60 0.41 -1.72 0.00 0.00 179.24 178.53 3iet n THR 87 N -2.50 0.05 -0.08 0.35 -1.04 -0.56 -4.90 114.28 105.60 3iet n THR 87 Ca 0.05 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3iet n THR 87 Cb 0.46 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 3iet n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3iet n GLY 88 N 2.94 -1.70 3.67 3.41 0.00 0.66 -4.83 105.19 109.34 3iet n GLY 88 Ca 0.19 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 3iet n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iet s ILE 89 N -2.02 4.88 -0.34 -0.61 1.01 -0.43 0.24 121.20 123.92 3iet s ILE 89 Ca 0.00 1.62 -0.11 0.00 0.00 0.00 0.00 60.65 62.16 3iet s ILE 89 Cb 0.00 -4.13 -0.00 0.00 0.01 0.00 0.00 42.46 38.34 3iet s ILE 89 CO 0.00 0.02 0.20 -0.31 0.00 0.00 0.00 174.94 174.85 3iet s TYR 90 N 2.20 3.21 0.01 3.97 1.51 0.44 -0.41 117.35 128.27 3iet s TYR 90 Ca 0.38 -0.56 -0.13 0.00 -1.01 0.00 0.00 57.07 55.75 3iet s TYR 90 Cb -0.16 -2.42 -0.06 0.00 -0.11 0.00 0.00 41.96 39.21 3iet s TYR 90 CO 0.12 -0.48 0.38 0.71 -1.11 0.00 0.00 175.55 175.17 3iet s TYR 91 N 1.63 3.69 -0.10 2.71 2.02 0.81 -1.69 117.35 126.43 3iet s TYR 91 Ca 0.04 0.91 -0.15 0.00 -0.37 0.00 0.00 57.07 57.50 3iet s TYR 91 Cb -0.18 -2.23 -0.05 0.00 -0.40 0.00 0.00 41.96 39.10 3iet s TYR 91 CO 0.08 0.63 0.38 0.00 -1.57 0.00 0.00 175.55 175.07 3iet s SER 93 N 0.09 -0.14 -0.02 0.00 0.15 -0.28 -1.19 113.70 112.31 3iet s SER 93 Ca 0.22 0.25 -0.10 0.00 0.70 0.00 0.00 55.95 57.02 3iet s SER 93 Cb -0.15 0.32 0.03 0.00 -1.71 0.00 0.00 66.02 64.52 3iet s SER 93 CO 0.08 -0.11 0.43 0.61 1.20 0.00 0.00 173.24 175.46 3iet n GLY 94 N 2.74 0.35 0.00 9.45 0.00 -0.62 0.15 105.19 117.26 3iet n GLY 94 Ca -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3iet n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iet n GLY 95 N -0.31 2.00 0.32 -0.02 0.00 -0.79 -1.45 105.19 104.95 3iet n GLY 95 Ca 0.02 -1.61 -0.03 0.00 0.00 0.00 0.00 46.02 44.40 3iet n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iet h LYS 96 N 0.00 0.99 0.00 1.61 1.79 -1.87 0.26 116.57 119.35 3iet h LYS 96 Ca 0.00 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 3iet h LYS 96 Cb 0.00 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.49 3iet h LYS 96 CO 0.00 0.82 -0.52 0.28 -1.08 0.00 0.00 179.45 178.95 3iet h VAL 97 N 0.97 0.00 -1.06 0.50 2.07 -1.92 -3.43 116.25 113.37 3iet h VAL 97 Ca 0.22 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3iet h VAL 97 Cb 0.21 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3iet h VAL 97 CO -0.02 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 176.43 3iet n ARG 98 N -2.35 0.00 -1.22 1.57 3.00 -1.12 -4.68 116.66 111.85 3iet n ARG 98 Ca 0.03 0.38 -0.08 0.00 -0.00 0.00 0.00 57.85 58.18 3iet n ARG 98 Cb 0.47 -0.16 -0.03 0.00 0.00 0.00 0.00 32.46 32.74 3iet n ARG 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3iet n ASN 99 N 0.00 -5.41 -0.22 6.15 3.02 -1.26 -4.87 115.26 112.67 3iet n ASN 99 Ca 0.00 0.19 -0.00 0.00 -0.03 0.00 0.00 54.58 54.74 3iet n ASN 99 Cb 0.00 -3.59 0.11 0.00 -0.61 0.00 0.00 39.78 35.69 3iet n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iet h ALA 100 N 0.00 0.88 -3.64 5.41 0.00 -1.83 -3.44 119.26 116.64 3iet h ALA 100 Ca -0.16 0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.25 3iet h ALA 100 Cb 1.00 -0.05 -0.22 0.00 0.00 0.00 0.00 17.79 18.51 3iet h ALA 100 CO 0.23 -0.05 -0.82 0.71 0.00 0.00 0.00 179.25 179.32 3iet s TYR 102 N -6.08 1.76 0.01 0.00 2.02 -0.53 -4.99 117.35 109.53 3iet s TYR 102 Ca -0.13 -0.42 0.03 0.00 -0.37 0.00 0.00 57.07 56.18 3iet s TYR 102 Cb 0.17 -0.96 -0.01 0.00 -0.40 0.00 0.00 41.96 40.75 3iet s TYR 102 CO 0.76 0.20 -0.08 -1.58 -1.57 0.00 0.00 175.55 173.27 3iet s TRP 103 N -1.18 0.74 0.80 2.71 0.52 -1.26 -1.59 118.94 119.68 3iet s TRP 103 Ca 0.06 -0.22 -0.07 0.00 0.02 0.00 0.00 56.10 55.89 3iet s TRP 103 Cb -0.10 -0.46 0.14 0.00 -1.15 0.00 0.00 33.47 31.90 3iet s TRP 103 CO 0.04 -0.02 1.11 0.20 0.02 0.00 0.00 176.95 178.31 3iet s GLY 104 N -0.54 1.76 0.08 0.98 0.00 -0.33 -4.69 107.32 104.58 3iet s GLY 104 Ca 0.01 -1.44 0.22 0.00 0.00 0.00 0.00 44.72 43.51 3iet s GLY 104 CO 0.00 -0.82 1.69 0.61 0.00 0.00 0.00 173.10 174.58 3iet n GLN 105 N -3.17 0.08 0.00 2.90 -0.00 -1.26 -4.72 117.38 111.21 3iet n GLN 105 Ca 0.14 0.21 0.00 0.00 -0.00 0.00 0.00 57.00 57.35 3iet n GLN 105 Cb 0.60 -1.62 0.00 0.00 -0.00 0.00 0.00 30.24 29.22 3iet n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3iet n GLY 106 N 0.63 -0.53 2.98 2.61 0.00 -1.26 -4.99 105.19 104.63 3iet n GLY 106 Ca 0.05 -1.64 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 3iet n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3iet s THR 107 N -3.00 0.55 0.25 2.61 -1.32 -0.68 -4.83 115.64 109.22 3iet s THR 107 Ca 0.00 -0.29 -0.24 0.00 -1.21 0.00 0.00 61.69 59.95 3iet s THR 107 Cb 0.00 -0.46 -0.09 0.00 -1.51 0.00 0.00 72.50 70.44 3iet s THR 107 CO 0.00 0.16 0.84 0.42 -2.21 0.00 0.00 174.62 173.83 3iet s THR 108 N -0.13 4.35 -0.24 5.08 -4.23 -1.26 -0.42 115.64 118.79 3iet s THR 108 Ca 0.02 1.64 0.02 0.00 -1.18 0.00 0.00 61.69 62.19 3iet s THR 108 Cb -0.03 -4.01 0.06 0.00 1.34 0.00 0.00 72.50 69.85 3iet s THR 108 CO -0.00 0.27 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.57 3iet s VAL 109 N -1.46 1.78 -0.23 2.29 1.01 0.14 -1.25 120.40 122.67 3iet s VAL 109 Ca 0.44 -1.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 3iet s VAL 109 Cb -0.19 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.26 3iet s VAL 109 CO 0.24 -0.01 -0.08 0.28 0.00 0.00 0.00 175.10 175.53 3iet s THR 110 N 1.29 2.89 -0.51 3.92 -1.32 -0.39 -0.25 115.64 121.27 3iet s THR 110 Ca -0.06 -0.87 -0.16 0.00 -1.21 0.00 0.00 61.69 59.39 3iet s THR 110 Cb -0.19 -2.40 0.11 0.00 -1.51 0.00 0.00 72.50 68.52 3iet s THR 110 CO -0.06 0.30 0.46 -0.69 -2.21 0.00 0.00 174.62 172.42 3iet s VAL 111 N 1.36 5.21 -0.11 5.08 1.01 -1.26 -0.67 120.40 131.02 3iet s VAL 111 Ca 0.02 -1.34 -0.24 0.00 0.00 0.00 0.00 61.98 60.42 3iet s VAL 111 Cb -0.15 -4.26 0.06 0.00 0.00 0.00 0.00 36.38 32.02 3iet s VAL 111 CO -0.05 -0.76 0.57 -0.55 0.00 0.00 0.00 175.10 174.31 3iet s SER 112 N 3.23 -0.55 0.00 3.32 0.15 0.91 -4.41 113.70 116.34 3iet s SER 112 Ca 0.03 0.78 0.28 0.00 0.70 0.00 0.00 55.95 57.74 3iet s SER 112 Cb -0.28 0.76 1.01 0.00 -1.71 0.00 0.00 66.02 65.80 3iet s SER 112 CO 0.04 -0.42 1.74 -0.24 1.20 0.00 0.00 173.24 175.56 3iet n SER 113 N 1.70 0.46 -4.76 5.45 2.88 -1.26 -3.91 113.62 114.18 3iet n SER 113 Ca -0.17 -0.35 -0.38 0.00 -1.33 0.00 0.00 58.87 56.64 3iet n SER 113 Cb 0.56 -0.05 0.03 0.00 -0.75 0.00 0.00 64.21 64.00 3iet n SER 113 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3iet s LYS 114 N -2.69 3.31 0.35 -1.46 1.02 -1.26 -5.00 119.74 114.01 3iet s LYS 114 Ca 0.22 2.09 -0.00 0.00 0.02 0.00 0.00 55.97 58.29 3iet s LYS 114 Cb 0.19 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 35.18 3iet s LYS 114 CO 0.54 -1.01 0.57 0.95 -0.92 0.00 0.00 175.35 175.48 3iet s THR 115 N -1.38 5.08 0.31 2.17 -4.23 -1.26 -5.04 115.64 111.30 3iet s THR 115 Ca 0.69 -0.36 -0.29 0.00 -1.18 0.00 0.00 61.69 60.56 3iet s THR 115 Cb -0.37 -3.85 -0.10 0.00 1.34 0.00 0.00 72.50 69.53 3iet s THR 115 CO 0.44 -0.56 1.20 0.28 -0.54 0.00 0.00 174.62 175.44 3iet s THR 116 N -2.33 3.10 -0.03 3.99 -1.32 -1.26 -4.78 115.64 113.01 3iet s THR 116 Ca 0.41 1.09 -0.01 0.00 -1.21 0.00 0.00 61.69 61.97 3iet s THR 116 Cb -0.10 -3.69 0.03 0.00 -1.51 0.00 0.00 72.50 67.23 3iet s THR 116 CO 0.36 0.25 0.05 -0.89 -2.21 0.00 0.00 174.62 172.18 3iet s THR 117 N -1.18 -0.08 0.60 5.08 2.01 0.16 -4.94 115.64 117.30 3iet s THR 117 Ca 0.48 0.34 -0.17 0.00 0.31 0.00 0.00 61.69 62.64 3iet s THR 117 Cb -0.35 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 3iet s THR 117 CO 0.46 0.14 1.11 0.00 -0.69 0.00 0.00 174.62 175.64 3iet s ALA 118 N 1.70 2.60 0.27 7.40 0.00 -1.26 -1.58 121.76 130.88 3iet s ALA 118 Ca -0.01 0.63 -0.13 0.00 0.00 0.00 0.00 51.96 52.45 3iet s ALA 118 Cb -0.12 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 3iet s ALA 118 CO -0.03 -1.00 0.66 -1.25 0.00 0.00 0.00 175.76 174.13 3iet s PRO 119 N -3.77 3.94 0.08 0.00 0.04 -1.26 -4.48 135.00 129.56 3iet s PRO 119 Ca 0.69 0.53 -0.28 0.00 0.04 0.00 0.00 61.00 61.97 3iet s PRO 119 Cb -0.21 -2.56 -0.06 0.00 0.04 0.00 0.00 34.50 31.71 3iet s PRO 119 CO 0.35 0.25 0.89 -1.12 0.04 0.00 0.00 177.00 177.41 3iet s SER 120 N -2.24 7.40 -0.27 6.66 0.01 0.42 -4.88 113.70 120.81 3iet s SER 120 Ca 0.50 1.67 -0.05 0.00 1.31 0.00 0.00 55.95 59.38 3iet s SER 120 Cb -0.11 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.58 3iet s SER 120 CO 0.19 -0.04 0.03 -0.69 0.41 0.00 0.00 173.24 173.14 3iet s VAL 121 N 0.01 3.70 -0.16 3.43 1.01 -1.26 -0.29 120.40 126.84 3iet s VAL 121 Ca 0.44 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 3iet s VAL 121 Cb -0.22 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 3iet s VAL 121 CO 0.27 0.20 -0.10 -0.31 0.00 0.00 0.00 175.10 175.16 3iet s TYR 122 N 1.48 2.87 0.20 5.22 2.02 0.14 -4.95 117.35 124.33 3iet s TYR 122 Ca 0.03 -0.75 -0.30 0.00 -0.37 0.00 0.00 57.07 55.69 3iet s TYR 122 Cb -0.16 -1.93 -0.08 0.00 -0.40 0.00 0.00 41.96 39.39 3iet s TYR 122 CO 0.00 -0.32 1.08 -1.25 -1.57 0.00 0.00 175.55 173.49 3iet s PRO 123 N 0.71 4.63 -0.40 -1.71 0.04 -1.26 -0.40 135.00 136.61 3iet s PRO 123 Ca -0.05 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 62.68 3iet s PRO 123 Cb -0.15 -3.26 0.11 0.00 0.04 0.00 0.00 34.50 31.23 3iet s PRO 123 CO 0.02 0.15 0.17 -0.51 0.04 0.00 0.00 177.00 176.88 3iet s LEU 124 N -0.67 5.16 0.29 -3.56 1.43 -0.25 -4.91 118.68 116.17 3iet s LEU 124 Ca 0.47 -2.06 -0.17 0.00 -1.03 0.00 0.00 54.13 51.34 3iet s LEU 124 Cb -0.29 -1.79 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 3iet s LEU 124 CO 0.36 -0.51 0.74 0.00 0.23 0.00 0.00 176.35 177.17 3iet s ALA 125 N 1.09 3.35 0.78 4.21 0.00 -1.26 -2.35 121.76 127.58 3iet s ALA 125 Ca 0.09 0.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 3iet s ALA 125 Cb -0.22 -2.80 0.06 0.00 0.00 0.00 0.00 23.12 20.16 3iet s ALA 125 CO -0.05 0.32 1.08 -1.25 0.00 0.00 0.00 175.76 175.87 3iet s PRO 126 N -2.60 2.20 0.00 0.00 0.04 -1.26 -5.00 135.00 128.38 3iet s PRO 126 Ca 0.50 0.90 0.21 0.00 0.04 0.00 0.00 61.00 62.66 3iet s PRO 126 Cb -0.13 -1.91 0.23 0.00 0.04 0.00 0.00 34.50 32.73 3iet s PRO 126 CO 0.19 -1.61 1.22 1.55 0.04 0.00 0.00 177.00 178.39 3iet n VAL 127 N -3.47 0.14 0.00 -0.36 3.14 -1.26 -4.97 118.33 111.55 3iet n VAL 127 Ca 0.08 -0.57 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 3iet n VAL 127 Cb 0.54 1.31 0.00 0.00 -1.06 0.00 0.00 33.84 34.64 3iet n VAL 127 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3iet n SER 135 N 1.24 0.00 -4.12 6.55 7.64 -1.24 -5.17 113.62 118.51 3iet n SER 135 Ca 0.14 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.76 3iet n SER 135 Cb 0.54 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.58 3iet n SER 135 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3iet s VAL 136 N -4.05 1.42 -0.12 0.44 0.11 -0.34 -4.88 120.40 112.98 3iet s VAL 136 Ca 0.00 -0.69 -0.03 0.00 -2.93 0.00 0.00 61.98 58.33 3iet s VAL 136 Cb 0.00 -1.24 -0.03 0.00 -1.53 0.00 0.00 36.38 33.58 3iet s VAL 136 CO 0.00 0.41 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.27 3iet s THR 137 N 0.19 4.09 0.35 5.04 2.01 -1.26 -1.46 115.64 124.60 3iet s THR 137 Ca -0.07 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 61.69 3iet s THR 137 Cb -0.13 -2.75 -0.07 0.00 0.01 0.00 0.00 72.50 69.56 3iet s THR 137 CO 0.03 0.54 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.71 3iet s LEU 138 N -0.23 2.67 0.23 4.42 1.02 0.12 -4.41 118.68 122.49 3iet s LEU 138 Ca 0.05 -1.28 -0.11 0.00 0.02 0.00 0.00 54.13 52.81 3iet s LEU 138 Cb -0.13 -0.82 -0.01 0.00 0.02 0.00 0.00 46.19 45.26 3iet s LEU 138 CO 0.02 -0.37 0.40 -0.83 0.02 0.00 0.00 176.35 175.59 3iet s GLY 139 N -3.60 0.65 -0.02 -3.19 0.00 -0.99 -0.95 107.32 99.22 3iet s GLY 139 Ca 0.33 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 44.07 3iet s GLY 139 CO 0.16 -0.76 0.02 0.00 0.00 0.00 0.00 173.10 172.52 3iet s LEU 141 N 1.08 3.03 -0.39 0.00 2.96 0.46 -1.59 118.68 124.24 3iet s LEU 141 Ca -0.09 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 3iet s LEU 141 Cb -0.13 -1.78 0.10 0.00 0.50 0.00 0.00 46.19 44.88 3iet s LEU 141 CO -0.03 -0.01 0.17 -0.69 -1.32 0.00 0.00 176.35 174.48 3iet s VAL 142 N 1.41 3.27 -0.05 1.68 1.01 0.12 0.25 120.40 128.09 3iet s VAL 142 Ca 0.05 -1.92 0.06 0.00 0.00 0.00 0.00 61.98 60.17 3iet s VAL 142 Cb -0.14 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3iet s VAL 142 CO -0.01 -0.59 -0.23 -0.75 0.00 0.00 0.00 175.10 173.52 3iet s LYS 143 N 1.17 2.35 -0.01 2.72 2.20 0.61 0.01 119.74 128.78 3iet s LYS 143 Ca 0.06 -0.85 -0.00 0.00 -0.36 0.00 0.00 55.97 54.82 3iet s LYS 143 Cb -0.22 -2.02 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 3iet s LYS 143 CO -0.03 0.37 0.01 0.41 -0.36 0.00 0.00 175.35 175.74 3iet n GLY 144 N 2.94 0.45 3.43 5.54 0.00 -0.15 -0.44 105.19 116.97 3iet n GLY 144 Ca -0.17 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 3iet n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3iet s TYR 145 N -3.00 2.11 -0.28 1.61 -0.85 -0.82 -4.36 117.35 111.76 3iet s TYR 145 Ca 0.00 -0.42 -0.20 0.00 -0.52 0.00 0.00 57.07 55.93 3iet s TYR 145 Cb -0.00 -0.95 0.10 0.00 0.38 0.00 0.00 41.96 41.49 3iet s TYR 145 CO 0.00 0.59 0.81 0.12 -1.52 0.00 0.00 175.55 175.56 3iet s PHE 146 N -2.67 -0.79 0.00 -3.49 2.19 -0.62 -0.52 117.98 112.09 3iet s PHE 146 Ca 0.28 1.72 0.00 0.00 0.33 0.00 0.00 56.93 59.26 3iet s PHE 146 Cb -0.03 0.43 0.00 0.00 -1.31 0.00 0.00 43.02 42.11 3iet s PHE 146 CO 0.12 -0.39 0.00 -0.35 1.83 0.00 0.00 175.22 176.44 3iet n PRO 147 N 3.38 0.83 -1.47 10.12 -0.05 -1.26 0.38 135.00 146.93 3iet n PRO 147 Ca -0.17 0.00 -0.32 0.00 -0.05 0.00 0.00 63.50 62.96 3iet n PRO 147 Cb 0.57 0.00 0.07 0.00 -0.05 0.00 0.00 33.50 34.09 3iet n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 3iet s GLU 148 N -1.77 2.47 0.34 0.54 0.41 -1.26 -4.77 118.70 114.66 3iet s GLU 148 Ca 0.00 1.29 0.03 0.00 -0.41 0.00 0.00 54.97 55.88 3iet s GLU 148 Cb 0.00 -1.92 0.03 0.00 -1.78 0.00 0.00 34.13 30.47 3iet s GLU 148 CO 0.00 -1.49 0.27 -0.35 -0.49 0.00 0.00 175.26 173.20 3iet n PRO 149 N -3.03 0.97 -4.52 0.39 -0.04 -1.26 -4.96 135.00 122.54 3iet n PRO 149 Ca 0.10 -2.12 -0.24 0.00 -0.04 0.00 0.00 63.50 61.20 3iet n PRO 149 Cb 0.52 0.20 -0.11 0.00 -0.04 0.00 0.00 33.50 34.07 3iet n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3iet s VAL 150 N -1.65 1.67 -0.06 0.52 -7.23 -1.26 -4.44 120.40 107.95 3iet s VAL 150 Ca 0.21 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.40 3iet s VAL 150 Cb -0.02 -2.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 3iet s VAL 150 CO 0.13 -0.06 -0.22 0.42 -0.31 0.00 0.00 175.10 175.06 3iet s THR 151 N -2.96 1.86 -0.04 5.32 -4.23 -0.81 -4.98 115.64 109.81 3iet s THR 151 Ca 0.35 -0.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.96 3iet s THR 151 Cb 0.08 -1.59 -0.03 0.00 1.34 0.00 0.00 72.50 72.31 3iet s THR 151 CO 0.16 0.52 -0.17 -0.22 -0.54 0.00 0.00 174.62 174.37 3iet s LEU 152 N 0.00 2.59 0.01 4.79 0.20 -1.26 -1.39 118.68 123.63 3iet s LEU 152 Ca -0.07 -0.26 0.01 0.00 0.69 0.00 0.00 54.13 54.50 3iet s LEU 152 Cb -0.14 -1.51 -0.01 0.00 -0.43 0.00 0.00 46.19 44.10 3iet s LEU 152 CO 0.04 0.34 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.52 3iet s THR 153 N -0.72 0.18 -0.18 3.68 2.01 0.13 -4.99 115.64 115.75 3iet s THR 153 Ca 0.11 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.49 3iet s THR 153 Cb -0.10 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 3iet s THR 153 CO 0.01 -0.25 0.02 0.26 -0.69 0.00 0.00 174.62 173.96 3iet s TRP 154 N -0.82 3.13 -1.22 4.92 0.52 -1.26 -0.18 118.94 124.03 3iet s TRP 154 Ca -0.08 -0.15 -0.22 0.00 0.02 0.00 0.00 56.10 55.67 3iet s TRP 154 Cb -0.06 -2.04 0.01 0.00 -1.15 0.00 0.00 33.47 30.23 3iet s TRP 154 CO -0.00 0.01 0.67 0.09 0.02 0.00 0.00 176.95 177.74 3iet n ASN 155 N 3.69 -3.94 -2.27 2.95 3.02 -0.59 -0.76 115.26 117.36 3iet n ASN 155 Ca -0.17 -1.13 -0.09 0.00 -0.03 0.00 0.00 54.58 53.16 3iet n ASN 155 Cb 0.52 -2.67 -0.01 0.00 -0.61 0.00 0.00 39.78 37.01 3iet n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3iet n SER 156 N -2.55 -3.03 0.00 6.41 7.64 -1.26 -0.49 113.62 120.34 3iet n SER 156 Ca -0.14 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.01 3iet n SER 156 Cb 0.60 -2.67 0.00 0.00 -1.01 0.00 0.00 64.21 61.13 3iet n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iet n GLY 157 N -0.64 3.35 0.06 0.23 0.00 0.06 -4.88 105.19 103.36 3iet n GLY 157 Ca -0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.00 3iet n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iet n SER 158 N 0.00 0.30 -4.24 1.61 3.41 0.36 -4.20 113.62 110.86 3iet n SER 158 Ca 0.00 0.58 -0.40 0.00 -0.26 0.00 0.00 58.87 58.79 3iet n SER 158 Cb 0.00 -0.64 -0.10 0.00 -0.26 0.00 0.00 64.21 63.21 3iet n SER 158 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3iet s LEU 159 N -3.66 5.25 0.00 1.04 2.96 -0.92 -4.88 118.68 118.47 3iet s LEU 159 Ca 0.05 -1.65 0.00 0.00 -0.22 0.00 0.00 54.13 52.31 3iet s LEU 159 Cb 0.09 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.81 3iet s LEU 159 CO 0.30 -0.57 0.00 -1.54 -1.32 0.00 0.00 176.35 173.23 3iet n SER 160 N 4.87 0.03 -4.66 3.68 3.41 -1.26 -4.25 113.62 115.43 3iet n SER 160 Ca -0.09 -0.22 -0.43 0.00 -0.26 0.00 0.00 58.87 57.87 3iet n SER 160 Cb 0.42 0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 3iet n SER 160 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3iet s SER 161 N -0.45 7.08 0.00 4.04 0.15 -1.26 -3.71 113.70 119.55 3iet s SER 161 Ca 0.00 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.00 3iet s SER 161 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3iet s SER 161 CO 0.00 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.46 3iet n GLY 162 N 3.34 0.70 3.87 9.45 0.00 -1.26 -4.64 105.19 116.65 3iet n GLY 162 Ca 0.10 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 3iet n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iet s VAL 163 N -2.00 5.37 -0.14 1.61 1.01 -1.24 -1.50 120.40 123.51 3iet s VAL 163 Ca 0.00 0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 3iet s VAL 163 Cb 0.00 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.92 3iet s VAL 163 CO 0.00 0.59 -0.05 -1.00 0.00 0.00 0.00 175.10 174.64 3iet s HIS 164 N -1.06 1.49 -0.14 5.22 3.76 0.18 -4.99 115.29 119.76 3iet s HIS 164 Ca 0.18 -0.87 -0.03 0.00 -0.15 0.00 0.00 55.06 54.19 3iet s HIS 164 Cb -0.13 -1.22 -0.03 0.00 1.11 0.00 0.00 32.58 32.31 3iet s HIS 164 CO 0.07 -0.56 -0.04 0.99 -0.85 0.00 0.00 174.74 174.35 3iet s THR 165 N 1.70 3.85 0.02 1.30 2.01 -1.26 -0.09 115.64 123.18 3iet s THR 165 Ca 0.02 -0.38 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 3iet s THR 165 Cb -0.14 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 3iet s THR 165 CO -0.08 0.52 0.12 -0.36 -0.69 0.00 0.00 174.62 174.13 3iet s PHE 166 N 0.09 3.35 0.32 4.92 0.40 -0.20 -5.00 117.98 121.85 3iet s PHE 166 Ca -0.01 0.21 -0.29 0.00 -0.60 0.00 0.00 56.93 56.24 3iet s PHE 166 Cb -0.14 -1.73 -0.11 0.00 0.51 0.00 0.00 43.02 41.55 3iet s PHE 166 CO 0.03 0.57 1.55 -2.14 0.70 0.00 0.00 175.22 175.93 3iet s PRO 167 N -2.03 4.12 0.63 0.24 0.02 -1.26 -4.30 135.00 132.42 3iet s PRO 167 Ca 0.27 2.57 -0.18 0.00 0.02 0.00 0.00 61.00 63.68 3iet s PRO 167 Cb -0.12 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.37 3iet s PRO 167 CO 0.19 -0.59 1.23 0.00 -0.33 0.00 0.00 177.00 177.50 3iet s ALA 168 N -0.41 2.45 -0.03 -1.55 0.00 -1.26 -4.86 121.76 116.08 3iet s ALA 168 Ca 0.59 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.65 3iet s ALA 168 Cb -0.47 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.16 3iet s ALA 168 CO 0.53 -1.37 -0.16 0.08 0.00 0.00 0.00 175.76 174.84 3iet s VAL 169 N -1.59 1.34 0.24 0.00 1.01 -0.92 -4.97 120.40 115.52 3iet s VAL 169 Ca 0.78 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 3iet s VAL 169 Cb -0.32 -1.14 -0.08 0.00 0.00 0.00 0.00 36.38 34.83 3iet s VAL 169 CO 0.36 0.39 0.69 -0.22 0.00 0.00 0.00 175.10 176.32 3iet s LEU 170 N -0.07 4.24 -0.28 3.92 2.96 -1.26 -2.23 118.68 125.96 3iet s LEU 170 Ca -0.01 1.28 -0.04 0.00 -0.22 0.00 0.00 54.13 55.15 3iet s LEU 170 Cb -0.10 -3.70 0.16 0.00 0.50 0.00 0.00 46.19 43.05 3iet s LEU 170 CO 0.01 -0.04 0.54 -1.58 -1.32 0.00 0.00 176.35 173.97 3iet s GLN 171 N -2.35 0.50 -1.32 1.98 0.74 0.22 -4.95 119.66 114.48 3iet s GLN 171 Ca 0.46 1.00 -0.12 0.00 0.05 0.00 0.00 55.36 56.74 3iet s GLN 171 Cb -0.14 0.38 0.01 0.00 1.10 0.00 0.00 33.01 34.36 3iet s GLN 171 CO 0.20 -0.51 0.49 -1.13 -0.55 0.00 0.00 175.29 173.79 3iet n SER 172 N 5.42 -2.11 -0.41 6.67 3.41 -1.26 -1.40 113.62 123.93 3iet n SER 172 Ca -0.04 -1.11 -0.05 0.00 -0.26 0.00 0.00 58.87 57.40 3iet n SER 172 Cb 0.50 -2.62 -0.02 0.00 -0.26 0.00 0.00 64.21 61.81 3iet n SER 172 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3iet n ASP 173 N -2.73 -4.26 -4.03 4.04 10.43 -1.26 -5.00 116.55 113.74 3iet n ASP 173 Ca -0.22 0.13 -0.09 0.00 2.57 0.00 0.00 54.79 57.18 3iet n ASP 173 Cb 0.64 -2.23 -0.11 0.00 1.84 0.00 0.00 41.12 41.26 3iet n ASP 173 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3iet s LEU 174 N -1.21 2.31 0.04 0.64 1.02 -0.49 -4.82 118.68 116.16 3iet s LEU 174 Ca 0.00 -0.64 0.02 0.00 0.02 0.00 0.00 54.13 53.54 3iet s LEU 174 Cb 0.00 0.07 -0.04 0.00 0.02 0.00 0.00 46.19 46.24 3iet s LEU 174 CO 0.00 -0.35 0.03 -0.31 0.02 0.00 0.00 176.35 175.74 3iet s TYR 175 N -2.07 3.11 0.00 0.29 1.51 0.33 0.69 117.35 121.22 3iet s TYR 175 Ca -0.09 0.07 0.04 0.00 -1.01 0.00 0.00 57.07 56.09 3iet s TYR 175 Cb -0.06 -1.64 -0.01 0.00 -0.11 0.00 0.00 41.96 40.15 3iet s TYR 175 CO -0.03 0.49 -0.13 -0.08 -1.11 0.00 0.00 175.55 174.69 3iet s THR 176 N -1.23 1.04 0.11 -0.71 -1.32 -0.95 -0.97 115.64 111.60 3iet s THR 176 Ca 0.24 -0.67 -0.00 0.00 -1.21 0.00 0.00 61.69 60.05 3iet s THR 176 Cb -0.12 -0.89 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 3iet s THR 176 CO 0.16 0.21 0.00 -1.48 -2.21 0.00 0.00 174.62 171.30 3iet s LEU 177 N -0.52 2.17 0.12 9.08 0.05 0.10 -2.16 118.68 127.51 3iet s LEU 177 Ca 0.04 -1.11 -0.03 0.00 0.05 0.00 0.00 54.13 53.09 3iet s LEU 177 Cb -0.06 0.15 -0.03 0.00 -2.05 0.00 0.00 46.19 44.20 3iet s LEU 177 CO -0.00 -0.62 0.08 -0.94 -0.55 0.00 0.00 176.35 174.32 3iet s SER 178 N -3.03 0.29 -0.08 1.48 1.04 -1.26 0.15 113.70 112.29 3iet s SER 178 Ca 0.17 -1.09 -0.11 0.00 0.48 0.00 0.00 55.95 55.40 3iet s SER 178 Cb 0.07 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.52 3iet s SER 178 CO -0.02 -0.73 0.28 -0.55 0.98 0.00 0.00 173.24 173.20 3iet s SER 179 N -3.00 -0.25 0.05 7.02 0.15 -0.62 -1.04 113.70 116.01 3iet s SER 179 Ca 0.19 0.42 0.07 0.00 0.70 0.00 0.00 55.95 57.33 3iet s SER 179 Cb 0.07 0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 64.85 3iet s SER 179 CO -0.01 -0.20 -0.18 -0.94 1.20 0.00 0.00 173.24 173.11 3iet s SER 180 N -0.28 3.82 -0.04 5.45 1.04 0.88 -0.74 113.70 123.83 3iet s SER 180 Ca -0.04 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 55.95 3iet s SER 180 Cb -0.03 -0.60 0.02 0.00 0.10 0.00 0.00 66.02 65.51 3iet s SER 180 CO 0.01 0.24 -0.03 0.54 0.98 0.00 0.00 173.24 174.98 3iet s VAL 181 N -0.96 0.44 -0.19 5.02 0.11 -0.12 -0.64 120.40 124.05 3iet s VAL 181 Ca 0.15 -0.06 -0.03 0.00 -2.93 0.00 0.00 61.98 59.12 3iet s VAL 181 Cb -0.10 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 3iet s VAL 181 CO 0.06 0.21 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.08 3iet s THR 182 N 0.99 3.38 0.23 5.04 2.01 -0.56 -0.70 115.64 126.03 3iet s THR 182 Ca -0.10 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.41 3iet s THR 182 Cb -0.14 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 3iet s THR 182 CO -0.01 0.46 0.04 0.68 -0.69 0.00 0.00 174.62 175.11 3iet s VAL 183 N 1.03 0.73 0.69 3.82 -7.23 -0.53 -4.55 120.40 114.35 3iet s VAL 183 Ca 0.00 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.04 3iet s VAL 183 Cb -0.15 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.37 3iet s VAL 183 CO -0.00 -0.21 1.09 0.42 -0.31 0.00 0.00 175.10 176.08 3iet s THR 184 N -3.63 3.50 0.43 5.32 -4.23 -1.26 -1.20 115.64 114.57 3iet s THR 184 Ca 0.32 0.60 0.14 0.00 -1.18 0.00 0.00 61.69 61.57 3iet s THR 184 Cb 0.07 -3.15 0.16 0.00 1.34 0.00 0.00 72.50 70.93 3iet s THR 184 CO 0.10 -0.53 1.96 0.28 -0.54 0.00 0.00 174.62 175.89 3iet h SER 185 N -0.36 0.00 0.84 3.99 0.02 -1.89 -0.20 113.55 115.95 3iet h SER 185 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3iet h SER 185 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 3iet h SER 185 CO 0.54 0.22 0.00 0.28 -1.14 0.00 0.00 176.83 176.73 3iet h SER 186 N 0.00 0.00 0.01 3.07 0.02 -2.02 -3.27 113.55 111.36 3iet h SER 186 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3iet h SER 186 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3iet h SER 186 CO 0.03 0.00 -0.10 0.74 -1.14 0.00 0.00 176.83 176.36 3iet h THR 187 N 0.00 1.72 -4.12 -2.27 2.02 -1.38 -3.43 112.91 105.44 3iet h THR 187 Ca 0.00 -2.23 -0.48 0.00 0.77 0.00 0.00 66.41 64.47 3iet h THR 187 Cb 0.42 3.22 -0.27 0.00 -1.74 0.00 0.00 68.15 69.79 3iet h THR 187 CO 0.00 0.59 -0.81 0.86 0.37 0.00 0.00 175.52 176.53 3iet s TRP 188 N -2.49 1.31 -2.03 3.16 -0.00 -1.23 0.10 118.94 117.77 3iet s TRP 188 Ca -0.18 -0.31 0.28 0.00 -0.00 0.00 0.00 56.10 55.89 3iet s TRP 188 Cb -0.02 -0.80 1.63 0.00 -0.00 0.00 0.00 33.47 34.28 3iet s TRP 188 CO 0.71 0.02 2.05 -2.30 -0.00 0.00 0.00 176.95 177.43 3iet n PRO 189 N 2.22 1.05 -0.06 5.86 -0.02 -1.26 -4.78 135.00 138.00 3iet n PRO 189 Ca -0.16 -0.07 -0.08 0.00 -2.02 0.00 0.00 63.50 61.17 3iet n PRO 189 Cb 0.55 -1.44 -0.02 0.00 -0.02 0.00 0.00 33.50 32.57 3iet n PRO 189 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3iet h SER 190 N 0.16 -0.86 -3.16 2.55 0.87 -1.82 -3.39 113.55 107.90 3iet h SER 190 Ca 0.00 0.15 -0.59 0.00 -1.23 0.00 0.00 61.79 60.12 3iet h SER 190 Cb 0.03 0.40 -0.05 0.00 -0.44 0.00 0.00 62.40 62.35 3iet h SER 190 CO 0.00 -0.30 -0.12 -1.10 -0.53 0.00 0.00 176.83 174.79 3iet s GLN 191 N -6.06 4.10 0.08 2.24 -1.52 0.29 -5.04 119.66 113.75 3iet s GLN 191 Ca -0.15 0.56 -0.31 0.00 -1.95 0.00 0.00 55.36 53.52 3iet s GLN 191 Cb 0.12 -3.26 -0.08 0.00 -0.22 0.00 0.00 33.01 29.58 3iet s GLN 191 CO 0.68 0.59 1.50 0.45 -0.25 0.00 0.00 175.29 178.26 3iet s SER 192 N -0.83 6.72 -0.11 5.90 0.15 -1.26 -4.59 113.70 119.68 3iet s SER 192 Ca 0.26 2.37 0.02 0.00 0.70 0.00 0.00 55.95 59.31 3iet s SER 192 Cb -0.18 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.57 3iet s SER 192 CO 0.15 -0.77 -0.18 -0.63 1.20 0.00 0.00 173.24 173.02 3iet s ILE 193 N 1.89 1.66 0.05 6.45 1.01 -1.26 -5.00 121.20 126.00 3iet s ILE 193 Ca 0.68 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 60.60 3iet s ILE 193 Cb -0.38 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 3iet s ILE 193 CO 0.30 0.47 -0.09 0.42 0.00 0.00 0.00 174.94 176.04 3iet s THR 194 N 0.78 0.68 -0.20 2.92 -4.23 -1.26 -1.36 115.64 112.97 3iet s THR 194 Ca -0.10 -1.10 -0.15 0.00 -1.18 0.00 0.00 61.69 59.15 3iet s THR 194 Cb -0.16 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 3iet s THR 194 CO 0.01 -0.32 0.36 0.00 -0.54 0.00 0.00 174.62 174.13 3iet s ASN 196 N 0.95 4.06 -0.09 0.00 -0.87 0.75 -0.23 114.94 119.51 3iet s ASN 196 Ca 0.18 -0.41 0.01 0.00 -1.57 0.00 0.00 52.86 51.07 3iet s ASN 196 Cb -0.14 -1.67 0.02 0.00 -0.02 0.00 0.00 41.25 39.43 3iet s ASN 196 CO 0.07 0.03 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.83 3iet s VAL 197 N 1.16 1.19 -0.05 1.60 1.01 0.21 0.19 120.40 125.71 3iet s VAL 197 Ca 0.02 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3iet s VAL 197 Cb -0.14 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 3iet s VAL 197 CO -0.03 0.38 -0.07 0.00 0.00 0.00 0.00 175.10 175.38 3iet s ALA 198 N 1.08 2.98 -0.52 5.51 0.00 -0.48 -0.02 121.76 130.31 3iet s ALA 198 Ca -0.06 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.01 3iet s ALA 198 Cb -0.15 -1.20 0.16 0.00 0.00 0.00 0.00 23.12 21.93 3iet s ALA 198 CO -0.02 0.58 0.36 -1.58 0.00 0.00 0.00 175.76 175.10 3iet s HIS 199 N -0.86 2.25 0.29 0.00 2.46 0.37 -1.92 115.29 117.88 3iet s HIS 199 Ca 0.14 -2.71 -0.01 0.00 0.47 0.00 0.00 55.06 52.95 3iet s HIS 199 Cb -0.11 -1.87 0.66 0.00 -0.13 0.00 0.00 32.58 31.13 3iet s HIS 199 CO 0.03 -0.72 1.60 -1.35 -2.47 0.00 0.00 174.74 171.83 3iet h PRO 200 N 5.94 0.06 -0.01 2.88 0.11 -1.79 0.15 132.00 139.34 3iet h PRO 200 Ca 0.13 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3iet h PRO 200 Cb 0.86 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3iet h PRO 200 CO 0.53 0.04 0.01 0.00 -0.21 0.00 0.00 178.00 178.37 3iet h ALA 201 N 1.89 1.61 -0.38 -0.75 0.00 -1.91 0.12 119.26 119.84 3iet h ALA 201 Ca 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3iet h ALA 201 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3iet h ALA 201 CO -0.82 -0.01 0.00 -1.13 0.00 0.00 0.00 179.25 177.28 3iet n SER 202 N -3.96 3.02 -4.18 0.00 3.41 0.45 -4.97 113.62 107.39 3iet n SER 202 Ca -0.03 -1.96 -0.32 0.00 -0.26 0.00 0.00 58.87 56.30 3iet n SER 202 Cb 0.09 -0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 3iet n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3iet n SER 203 N 0.72 -1.43 -4.39 4.04 7.64 0.42 -4.94 113.62 115.69 3iet n SER 203 Ca 0.13 -1.08 -0.28 0.00 1.01 0.00 0.00 58.87 58.66 3iet n SER 203 Cb 0.45 -2.57 -0.12 0.00 -1.01 0.00 0.00 64.21 60.96 3iet n SER 203 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3iet s THR 204 N -3.70 2.22 -0.24 0.44 -4.23 -1.16 -5.00 115.64 103.97 3iet s THR 204 Ca 0.37 -1.84 -0.02 0.00 -1.18 0.00 0.00 61.69 59.02 3iet s THR 204 Cb -0.21 -2.00 0.12 0.00 1.34 0.00 0.00 72.50 71.76 3iet s THR 204 CO 0.94 -0.01 0.31 -0.54 -0.54 0.00 0.00 174.62 174.78 3iet s LYS 205 N -2.28 0.29 0.04 3.99 1.02 -1.26 -0.48 119.74 121.07 3iet s LYS 205 Ca 0.16 0.27 0.08 0.00 0.02 0.00 0.00 55.97 56.49 3iet s LYS 205 Cb -0.09 -0.75 -0.03 0.00 -0.52 0.00 0.00 37.83 36.44 3iet s LYS 205 CO 0.07 -0.75 -0.23 0.14 -0.92 0.00 0.00 175.35 173.66 3iet s VAL 206 N 2.44 1.87 -0.19 3.17 -7.23 0.98 -4.94 120.40 116.50 3iet s VAL 206 Ca 0.10 -1.26 -0.04 0.00 -1.81 0.00 0.00 61.98 58.97 3iet s VAL 206 Cb -0.15 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 3iet s VAL 206 CO -0.19 0.30 -0.04 -1.81 -0.31 0.00 0.00 175.10 173.05 3iet s ASP 207 N -1.15 4.56 -0.17 4.85 1.01 -1.26 -0.62 116.67 123.88 3iet s ASP 207 Ca 0.09 -0.26 0.00 0.00 0.71 0.00 0.00 52.55 53.10 3iet s ASP 207 Cb -0.09 -1.76 0.03 0.00 1.01 0.00 0.00 42.92 42.11 3iet s ASP 207 CO 0.02 0.08 -0.10 -0.54 0.21 0.00 0.00 175.17 174.83 3iet s LYS 208 N 0.89 1.97 0.22 8.23 3.01 0.68 -4.96 119.74 129.78 3iet s LYS 208 Ca -0.00 -0.65 -0.30 0.00 -1.01 0.00 0.00 55.97 54.00 3iet s LYS 208 Cb -0.15 -2.19 -0.08 0.00 -1.01 0.00 0.00 37.83 34.40 3iet s LYS 208 CO 0.01 -0.36 1.01 0.21 0.51 0.00 0.00 175.35 176.74 3iet s LYS 209 N 1.49 4.73 -0.58 1.68 2.20 -1.26 0.27 119.74 128.27 3iet s LYS 209 Ca 0.01 1.60 -0.24 0.00 -0.36 0.00 0.00 55.97 56.98 3iet s LYS 209 Cb -0.15 -3.27 0.04 0.00 -1.51 0.00 0.00 37.83 32.94 3iet s LYS 209 CO -0.09 0.32 0.98 0.42 -0.36 0.00 0.00 175.35 176.62 3iet s ILE 210 N -0.82 4.31 -0.06 5.43 -1.09 -0.46 -4.84 121.20 123.67 3iet s ILE 210 Ca 0.44 0.25 -0.02 0.00 -2.23 0.00 0.00 60.65 59.10 3iet s ILE 210 Cb -0.28 -4.59 -0.03 0.00 -1.58 0.00 0.00 42.46 35.97 3iet s ILE 210 CO 0.34 -1.22 0.02 -1.61 -1.23 0.00 0.00 174.94 171.25 3iet s GLU 211 N 4.14 3.00 0.52 2.79 2.02 -1.26 -4.73 118.70 125.18 3iet s GLU 211 Ca 0.30 -0.43 0.36 0.00 0.02 0.00 0.00 54.97 55.23 3iet s GLU 211 Cb -0.12 -2.82 1.52 0.00 0.10 0.00 0.00 34.13 32.81 3iet s GLU 211 CO 0.18 0.69 1.73 -1.35 0.02 0.00 0.00 175.26 176.54 3iet h PRO 212 N 4.86 0.06 0.00 0.39 0.11 -1.97 -3.43 132.00 132.02 3iet h PRO 212 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3iet h PRO 212 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3iet h PRO 212 CO 0.56 0.04 0.00 -2.13 -0.21 0.00 0.00 178.00 176.26