#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 -0.01 1.69 1.01 -1.26 -3.73 120.40 122.26 3iet s VAL 2 Ca 0.00 1.64 0.02 0.00 0.00 0.00 0.00 61.98 63.64 3iet s VAL 2 Cb 0.00 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 3iet s VAL 2 CO 0.00 0.18 -0.06 -1.10 0.00 0.00 0.00 175.10 174.12 3iet s GLN 3 N 0.58 0.52 -0.09 2.72 -0.21 -0.05 -4.98 119.66 118.15 3iet s GLN 3 Ca 0.54 -0.21 0.00 0.00 0.02 0.00 0.00 55.36 55.72 3iet s GLN 3 Cb -0.28 -0.51 0.02 0.00 1.00 0.00 0.00 33.01 33.25 3iet s GLN 3 CO 0.31 0.12 -0.08 -0.51 -2.12 0.00 0.00 175.29 173.00 3iet s LEU 4 N -0.07 1.30 -0.16 2.90 1.02 -1.26 -1.74 118.68 120.68 3iet s LEU 4 Ca 0.01 -0.28 -0.01 0.00 0.02 0.00 0.00 54.13 53.88 3iet s LEU 4 Cb -0.03 -0.79 0.04 0.00 0.02 0.00 0.00 46.19 45.43 3iet s LEU 4 CO -0.00 -0.07 -0.03 -1.58 0.02 0.00 0.00 176.35 174.68 3iet s GLN 5 N 1.35 1.21 0.13 1.70 2.00 0.20 -4.14 119.66 122.11 3iet s GLN 5 Ca -0.02 -0.42 -0.18 0.00 -2.00 0.00 0.00 55.36 52.73 3iet s GLN 5 Cb -0.14 -1.89 -0.07 0.00 0.80 0.00 0.00 33.01 31.71 3iet s GLN 5 CO -0.04 -0.45 0.61 -0.65 -0.50 0.00 0.00 175.29 174.26 3iet s GLN 6 N 1.71 4.17 0.13 1.67 1.11 -1.26 -1.20 119.66 125.98 3iet s GLN 6 Ca 0.01 0.71 -0.03 0.00 0.01 0.00 0.00 55.36 56.06 3iet s GLN 6 Cb -0.15 -3.07 -0.03 0.00 -1.01 0.00 0.00 33.01 28.75 3iet s GLN 6 CO -0.07 0.53 0.11 -1.54 0.01 0.00 0.00 175.29 174.33 3iet s SER 7 N -1.41 0.25 0.00 5.90 1.04 -0.68 -4.80 113.70 114.00 3iet s SER 7 Ca 0.35 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.70 3iet s SER 7 Cb -0.18 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.27 3iet s SER 7 CO 0.20 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.27 3iet n GLY 8 N -0.10 0.69 0.00 7.32 0.00 -1.26 -0.91 105.19 110.93 3iet n GLY 8 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3iet n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iet n GLY 9 N -1.10 -1.51 0.00 -0.02 0.00 -1.26 -4.70 105.19 96.60 3iet n GLY 9 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3iet n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iet n GLY 10 N 4.07 0.81 3.78 -0.02 0.00 0.11 -4.95 105.19 108.99 3iet n GLY 10 Ca 0.00 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 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 4.40 0.03 0.99 2.96 -1.26 -0.22 118.68 125.59 3iet s LEU 11 Ca 0.00 1.00 -0.02 0.00 -0.22 0.00 0.00 54.13 54.89 3iet s LEU 11 Cb 0.00 -2.74 -0.02 0.00 0.50 0.00 0.00 46.19 43.93 3iet s LEU 11 CO 0.00 0.16 0.02 0.68 -1.32 0.00 0.00 176.35 175.89 3iet s VAL 12 N -0.32 0.14 0.44 1.68 -7.23 -0.25 -4.96 120.40 109.90 3iet s VAL 12 Ca 0.27 -1.18 -0.20 0.00 -1.81 0.00 0.00 61.98 59.06 3iet s VAL 12 Cb -0.17 -0.79 -0.10 0.00 0.56 0.00 0.00 36.38 35.87 3iet s VAL 12 CO 0.14 -0.65 0.95 -1.10 -0.31 0.00 0.00 175.10 174.13 3iet s GLN 13 N -2.45 4.17 0.39 4.82 -0.21 -1.26 -3.33 119.66 121.80 3iet s GLN 13 Ca -0.07 1.07 -0.25 0.00 0.02 0.00 0.00 55.36 56.14 3iet s GLN 13 Cb -0.02 -2.18 -0.11 0.00 1.00 0.00 0.00 33.01 31.69 3iet s GLN 13 CO -0.04 -0.07 1.00 -2.30 -2.12 0.00 0.00 175.29 171.76 3iet n PRO 14 N -0.80 1.34 -0.06 2.91 -0.02 -1.26 -0.24 135.00 136.87 3iet n PRO 14 Ca 0.07 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3iet n PRO 14 Cb 0.54 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.20 2.45 3.92 -1.23 0.00 0.16 -4.95 105.19 106.75 3iet n GLY 15 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3iet n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iet s GLY 16 N -1.99 1.72 0.18 -0.02 0.00 0.67 -4.03 107.32 103.85 3iet s GLY 16 Ca 0.00 -1.05 0.11 0.00 0.00 0.00 0.00 44.72 43.78 3iet s GLY 16 CO 0.00 -0.39 -0.22 -0.56 0.00 0.00 0.00 173.10 171.93 3iet s SER 17 N -4.78 3.53 -0.16 1.64 0.01 -1.26 -1.55 113.70 111.13 3iet s SER 17 Ca 0.69 -0.82 -0.24 0.00 1.31 0.00 0.00 55.95 56.90 3iet s SER 17 Cb -0.06 -0.31 0.06 0.00 0.21 0.00 0.00 66.02 65.91 3iet s SER 17 CO 0.51 0.13 0.61 -0.32 0.41 0.00 0.00 173.24 174.58 3iet s MET 18 N -2.62 0.82 -0.12 12.44 0.00 -0.04 -5.01 119.30 124.77 3iet s MET 18 Ca 0.21 0.60 0.01 0.00 0.00 0.00 0.00 55.69 56.51 3iet s MET 18 Cb -0.08 0.39 -0.01 0.00 0.00 0.00 0.00 34.83 35.13 3iet s MET 18 CO 0.10 -0.16 -0.15 0.21 0.00 0.00 0.00 175.02 175.02 3iet s LYS 19 N -0.25 3.30 0.23 4.11 2.20 -1.26 -0.52 119.74 127.56 3iet s LYS 19 Ca -0.04 -0.72 0.10 0.00 -0.36 0.00 0.00 55.97 54.94 3iet s LYS 19 Cb -0.03 -2.57 -0.04 0.00 -1.51 0.00 0.00 37.83 33.68 3iet s LYS 19 CO 0.04 0.22 -0.07 0.96 -0.36 0.00 0.00 175.35 176.14 3iet s ILE 20 N 0.32 3.21 0.11 5.43 -4.36 -0.58 -4.66 121.20 120.67 3iet s ILE 20 Ca -0.12 -1.88 0.06 0.00 -0.26 0.00 0.00 60.65 58.45 3iet s ILE 20 Cb -0.16 -2.66 -0.04 0.00 1.25 0.00 0.00 42.46 40.85 3iet s ILE 20 CO 0.06 -0.27 -0.15 -0.36 0.24 0.00 0.00 174.94 174.46 3iet s PHE 21 N -2.10 1.39 -0.06 1.37 0.40 -0.09 -0.92 117.98 117.98 3iet s PHE 21 Ca 0.29 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 56.11 3iet s PHE 21 Cb -0.07 -0.74 0.02 0.00 0.51 0.00 0.00 43.02 42.73 3iet s PHE 21 CO 0.17 0.13 -0.10 0.00 0.70 0.00 0.00 175.22 176.12 3iet s ALA 23 N 0.76 2.32 0.20 0.00 0.00 -0.34 -1.68 121.76 123.01 3iet s ALA 23 Ca -0.13 -1.03 0.08 0.00 0.00 0.00 0.00 51.96 50.88 3iet s ALA 23 Cb -0.15 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 3iet s ALA 23 CO 0.02 0.45 -0.15 0.00 0.00 0.00 0.00 175.76 176.08 3iet s ALA 24 N -0.30 2.02 0.20 0.00 0.00 -0.28 -0.63 121.76 122.77 3iet s ALA 24 Ca 0.01 -1.64 -0.19 0.00 0.00 0.00 0.00 51.96 50.14 3iet s ALA 24 Cb -0.13 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.93 3iet s ALA 24 CO 0.02 0.09 0.57 -1.54 0.00 0.00 0.00 175.76 174.90 3iet s SER 25 N -3.24 -0.31 0.00 0.00 1.04 -0.71 -4.79 113.70 105.68 3iet s SER 25 Ca 0.22 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.23 3iet s SER 25 Cb -0.01 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3iet s SER 25 CO 0.07 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.82 3iet n GLY 26 N -0.37 0.73 3.75 7.32 0.00 -1.24 -0.87 105.19 114.51 3iet n GLY 26 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.38 -0.27 -0.87 1.61 -0.71 -1.26 -4.40 117.98 109.69 3iet s PHE 27 Ca 0.00 -0.12 -0.25 0.00 -1.04 0.00 0.00 56.93 55.52 3iet s PHE 27 Cb 0.00 0.67 0.02 0.00 -1.21 0.00 0.00 43.02 42.50 3iet s PHE 27 CO 0.00 -1.11 1.49 0.99 -1.34 0.00 0.00 175.22 175.25 3iet s THR 28 N -3.82 3.74 0.27 -4.49 2.01 -1.26 -4.86 115.64 107.23 3iet s THR 28 Ca 0.09 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.86 3iet s THR 28 Cb -0.04 -4.78 0.25 0.00 0.01 0.00 0.00 72.50 67.94 3iet s THR 28 CO 0.02 -1.70 1.75 0.15 -0.69 0.00 0.00 174.62 174.16 3iet h PHE 29 N 10.53 0.77 -0.01 4.92 3.57 -1.97 -0.36 116.94 134.39 3iet h PHE 29 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3iet h PHE 29 Cb 1.04 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 3iet h PHE 29 CO 1.20 0.15 0.02 0.66 -2.23 0.00 0.00 178.31 178.11 3iet h SER 30 N 0.60 0.00 0.81 0.41 4.64 -1.89 -0.88 113.55 117.24 3iet h SER 30 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3iet h SER 30 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3iet h SER 30 CO -0.39 0.00 -0.36 0.47 -0.87 0.00 0.00 176.83 175.68 3iet n ASP 31 N -3.44 0.46 -4.82 4.97 8.00 -0.15 -1.93 116.55 119.64 3iet n ASP 31 Ca -0.03 0.11 -0.38 0.00 0.71 0.00 0.00 54.79 55.20 3iet n ASP 31 Cb 0.10 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 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 -3.05 3.68 -0.23 2.24 0.00 -0.34 -4.55 121.76 119.50 3iet s ALA 32 Ca 0.10 -0.23 -0.23 0.00 0.00 0.00 0.00 51.96 51.60 3iet s ALA 32 Cb 0.16 -2.40 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 3iet s ALA 32 CO 0.65 0.42 0.77 -0.46 0.00 0.00 0.00 175.76 177.15 3iet s TRP 33 N -0.86 3.32 0.06 0.00 -0.11 0.33 -3.94 118.94 117.74 3iet s TRP 33 Ca 0.23 1.06 0.05 0.00 1.22 0.00 0.00 56.10 58.67 3iet s TRP 33 Cb -0.16 -2.98 -0.04 0.00 -1.50 0.00 0.00 33.47 28.79 3iet s TRP 33 CO 0.13 -0.35 -0.07 -1.64 -4.62 0.00 0.00 176.95 170.40 3iet s MET 34 N 2.63 2.40 0.04 5.86 -1.94 -0.77 -2.37 119.30 125.15 3iet s MET 34 Ca 0.33 -0.85 0.02 0.00 -1.71 0.00 0.00 55.69 53.48 3iet s MET 34 Cb -0.15 -2.43 -0.02 0.00 2.01 0.00 0.00 34.83 34.23 3iet s MET 34 CO 0.08 0.56 -0.08 -0.51 -0.01 0.00 0.00 175.02 175.06 3iet s ASP 35 N -1.86 0.89 -0.17 3.03 1.01 0.13 -1.39 116.67 118.31 3iet s ASP 35 Ca 0.20 -0.57 -0.08 0.00 0.71 0.00 0.00 52.55 52.82 3iet s ASP 35 Cb -0.11 0.04 -0.04 0.00 1.01 0.00 0.00 42.92 43.81 3iet s ASP 35 CO 0.12 -0.21 0.10 0.26 0.21 0.00 0.00 175.17 175.65 3iet s TRP 36 N -1.45 3.39 -0.05 4.23 0.52 -0.43 -1.03 118.94 124.14 3iet s TRP 36 Ca -0.09 0.29 0.01 0.00 0.02 0.00 0.00 56.10 56.33 3iet s TRP 36 Cb -0.10 -2.06 0.02 0.00 -1.15 0.00 0.00 33.47 30.19 3iet s TRP 36 CO 0.00 0.37 -0.05 0.08 0.02 0.00 0.00 176.95 177.37 3iet s VAL 37 N -0.05 0.56 0.23 4.03 1.01 -0.50 -1.55 120.40 124.13 3iet s VAL 37 Ca 0.08 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.00 3iet s VAL 37 Cb -0.12 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 3iet s VAL 37 CO 0.00 0.23 0.09 0.00 0.00 0.00 0.00 175.10 175.43 3iet s ARG 38 N 0.91 2.63 -0.02 2.72 1.70 -0.43 0.37 118.95 126.83 3iet s ARG 38 Ca -0.11 -1.16 0.01 0.00 -0.47 0.00 0.00 55.73 54.00 3iet s ARG 38 Cb -0.14 -2.41 0.01 0.00 -0.57 0.00 0.00 34.95 31.84 3iet s ARG 38 CO 0.00 0.41 -0.04 -1.14 -1.08 0.00 0.00 175.30 173.45 3iet s GLN 39 N -3.55 0.49 0.04 3.89 0.74 0.14 -0.96 119.66 120.46 3iet s GLN 39 Ca 0.31 -0.11 -0.14 0.00 0.05 0.00 0.00 55.36 55.46 3iet s GLN 39 Cb -0.08 -0.52 0.02 0.00 1.10 0.00 0.00 33.01 33.53 3iet s GLN 39 CO 0.22 0.02 0.32 -1.54 -0.55 0.00 0.00 175.29 173.76 3iet s SER 40 N 0.35 -0.15 0.20 6.67 1.04 -0.83 0.08 113.70 121.06 3iet s SER 40 Ca -0.04 -0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.10 3iet s SER 40 Cb -0.07 0.36 0.19 0.00 0.10 0.00 0.00 66.02 66.60 3iet s SER 40 CO -0.00 -0.61 1.63 -0.65 0.98 0.00 0.00 173.24 174.59 3iet h PRO 41 N 3.24 -0.02 -6.92 4.02 0.11 -1.93 -0.47 132.00 130.03 3iet h PRO 41 Ca -0.31 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.33 3iet h PRO 41 Cb 1.20 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3iet h PRO 41 CO 0.45 -0.01 0.33 -1.21 -0.21 0.00 0.00 178.00 177.34 3iet s GLU 42 N -6.21 4.45 0.00 1.05 8.01 -1.26 -4.15 118.70 120.59 3iet s GLU 42 Ca -0.14 1.23 0.00 0.00 0.01 0.00 0.00 54.97 56.07 3iet s GLU 42 Cb 0.18 -2.61 0.00 0.00 -4.31 0.00 0.00 34.13 27.38 3iet s GLU 42 CO 0.72 0.19 0.00 1.63 0.01 0.00 0.00 175.26 177.82 3iet n LYS 43 N 0.19 0.00 0.00 1.61 5.02 -1.26 -4.90 118.16 118.83 3iet n LYS 43 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3iet n LYS 43 Cb 0.51 -0.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 3iet n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iet n GLY 44 N -0.56 2.49 3.67 0.72 0.00 -0.18 -4.58 105.19 106.75 3iet n GLY 44 Ca 0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 4.19 -0.03 0.99 1.43 -1.26 -1.96 118.68 122.04 3iet s LEU 45 Ca 0.00 1.14 0.04 0.00 -1.03 0.00 0.00 54.13 54.28 3iet s LEU 45 Cb 0.00 -3.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.04 3iet s LEU 45 CO 0.00 -0.35 -0.16 -1.61 0.23 0.00 0.00 176.35 174.47 3iet s GLU 46 N 1.94 1.52 0.31 1.70 2.02 -0.13 -5.01 118.70 121.05 3iet s GLU 46 Ca 0.37 -0.56 -0.29 0.00 0.02 0.00 0.00 54.97 54.52 3iet s GLU 46 Cb -0.17 -1.37 -0.10 0.00 0.10 0.00 0.00 34.13 32.59 3iet s GLU 46 CO 0.13 0.26 1.32 -0.46 0.02 0.00 0.00 175.26 176.53 3iet s TRP 47 N -0.07 3.06 -0.09 1.61 -0.00 -1.26 -1.31 118.94 120.88 3iet s TRP 47 Ca -0.00 1.36 -0.03 0.00 -0.00 0.00 0.00 56.10 57.42 3iet s TRP 47 Cb -0.09 -3.69 -0.04 0.00 -0.00 0.00 0.00 33.47 29.64 3iet s TRP 47 CO 0.01 -1.95 -0.10 0.28 -0.00 0.00 0.00 176.95 175.19 3iet n VAL 48 N 1.09 0.48 -3.60 5.86 0.31 -0.60 -4.60 118.33 117.27 3iet n VAL 48 Ca 0.01 -0.14 -0.07 0.00 -0.01 0.00 0.00 64.34 64.14 3iet n VAL 48 Cb 0.42 -1.42 -0.02 0.00 -0.91 0.00 0.00 33.84 31.90 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 -2.16 -1.74 0.04 3.52 0.00 -1.15 -0.46 121.76 119.81 3iet s ALA 49 Ca -0.12 0.62 -0.06 0.00 0.00 0.00 0.00 51.96 52.40 3iet s ALA 49 Cb 0.04 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 3iet s ALA 49 CO 0.16 -0.84 0.11 -1.83 0.00 0.00 0.00 175.76 173.37 3iet s GLU 50 N -3.22 0.62 -0.06 0.00 -1.05 0.62 -1.31 118.70 114.30 3iet s GLU 50 Ca 0.08 -0.76 -0.03 0.00 -0.15 0.00 0.00 54.97 54.11 3iet s GLU 50 Cb -0.01 0.24 0.04 0.00 -0.44 0.00 0.00 34.13 33.96 3iet s GLU 50 CO -0.05 -0.16 0.13 -1.50 0.95 0.00 0.00 175.26 174.64 3iet s ILE 51 N -2.72 -0.10 0.61 1.83 2.07 -0.49 -1.73 121.20 120.67 3iet s ILE 51 Ca -0.04 0.24 -0.06 0.00 -1.41 0.00 0.00 60.65 59.38 3iet s ILE 51 Cb -0.00 -0.23 0.02 0.00 0.13 0.00 0.00 42.46 42.38 3iet s ILE 51 CO -0.05 0.10 0.92 -0.13 -1.91 0.00 0.00 174.94 173.87 3iet s ARG 52 N 1.48 2.72 0.50 3.50 0.52 0.88 -1.85 118.95 126.70 3iet s ARG 52 Ca -0.06 -0.11 -0.09 0.00 -0.52 0.00 0.00 55.73 54.96 3iet s ARG 52 Cb -0.12 -2.26 -0.08 0.00 0.52 0.00 0.00 34.95 33.01 3iet s ARG 52 CO -0.05 -0.83 -0.41 0.09 0.02 0.00 0.00 175.30 174.12 3iet n ASN 52 N -2.65 -3.02 -0.09 0.23 3.02 -1.25 -3.39 115.26 108.10 3iet n ASN 52 Ca 0.05 0.09 -0.10 0.00 -0.03 0.00 0.00 54.58 54.59 3iet n ASN 52 Cb 0.58 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 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 -0.50 0.43 -0.96 3.52 3.64 -1.71 0.29 116.57 121.29 3iet h LYS 52 Ca -0.22 -0.08 0.23 0.00 -1.27 0.00 0.00 60.65 59.32 3iet h LYS 52 Cb 0.65 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.33 3iet h LYS 52 CO 0.12 0.44 0.63 0.00 -2.27 0.00 0.00 179.45 178.37 3iet h ALA 52 N 0.96 2.30 -0.63 5.00 0.00 -1.92 0.48 119.26 125.46 3iet h ALA 52 Ca 0.10 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 3iet h ALA 52 Cb 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 3iet h ALA 52 CO -0.01 -0.62 0.22 0.09 0.00 0.00 0.00 179.25 178.93 3iet n ASN 53 N -4.51 4.46 -3.99 0.00 3.02 -1.09 -4.94 115.26 108.21 3iet n ASN 53 Ca 0.21 -3.01 -0.31 0.00 -0.03 0.00 0.00 54.58 51.45 3iet n ASN 53 Cb 0.79 -0.71 0.01 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.03 -3.49 -3.39 6.41 3.02 0.17 -2.55 115.26 115.39 3iet n ASN 54 Ca 0.34 -0.88 -0.24 0.00 -0.03 0.00 0.00 54.58 53.78 3iet n ASN 54 Cb 1.23 -3.48 -0.01 0.00 -0.61 0.00 0.00 39.78 36.91 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 -4.53 -1.78 -1.81 3.10 8.25 0.10 -4.87 115.22 113.69 3iet n HIS 55 Ca -0.02 0.48 -0.41 0.00 -0.26 0.00 0.00 57.72 57.51 3iet n HIS 55 Cb 0.55 -2.92 0.00 0.00 1.12 0.00 0.00 29.99 28.74 3iet n HIS 55 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3iet s GLU 56 N -6.04 4.00 0.13 -0.41 2.12 -1.06 -4.39 118.70 113.05 3iet s GLU 56 Ca 0.41 2.53 0.09 0.00 0.36 0.00 0.00 54.97 58.36 3iet s GLU 56 Cb -0.22 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 3iet s GLU 56 CO 0.50 -0.61 -0.23 0.95 -0.54 0.00 0.00 175.26 175.34 3iet s THR 57 N -1.14 1.97 -0.00 -1.70 -4.23 -1.26 -0.08 115.64 109.19 3iet s THR 57 Ca 0.55 -1.74 -0.11 0.00 -1.18 0.00 0.00 61.69 59.21 3iet s THR 57 Cb -0.46 -1.81 0.01 0.00 1.34 0.00 0.00 72.50 71.59 3iet s THR 57 CO 0.61 -0.07 0.23 -0.31 -0.54 0.00 0.00 174.62 174.54 3iet s TYR 58 N -1.36 -0.07 0.02 3.99 1.51 -0.71 -4.99 117.35 115.74 3iet s TYR 58 Ca 0.12 0.06 0.04 0.00 -1.01 0.00 0.00 57.07 56.29 3iet s TYR 58 Cb -0.09 0.03 -0.02 0.00 -0.11 0.00 0.00 41.96 41.77 3iet s TYR 58 CO 0.06 -0.35 -0.13 0.71 -1.11 0.00 0.00 175.55 174.73 3iet s TYR 59 N -1.44 1.15 0.64 2.71 1.51 -1.26 -0.28 117.35 120.38 3iet s TYR 59 Ca -0.14 -0.31 -0.18 0.00 -1.01 0.00 0.00 57.07 55.44 3iet s TYR 59 Cb -0.06 -0.70 -0.03 0.00 -0.11 0.00 0.00 41.96 41.07 3iet s TYR 59 CO 0.03 0.01 1.09 0.00 -1.11 0.00 0.00 175.55 175.57 3iet n ALA 60 N 2.17 0.50 -0.25 3.71 0.00 0.39 -4.78 120.51 122.25 3iet n ALA 60 Ca -0.17 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.31 3iet n ALA 60 Cb 0.55 -2.20 0.31 0.00 0.00 0.00 0.00 19.45 18.12 3iet n ALA 60 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3iet h GLU 61 N 0.38 0.83 0.00 0.00 4.57 -1.92 -1.82 114.58 116.61 3iet h GLU 61 Ca -0.49 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 3iet h GLU 61 Cb 1.35 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3iet h GLU 61 CO 0.51 0.55 0.00 -1.13 -1.18 0.00 0.00 179.01 177.76 3iet n SER 62 N -4.51 0.00 0.00 1.04 3.41 -1.26 -3.39 113.62 108.92 3iet n SER 62 Ca 0.14 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 3iet n SER 62 Cb 0.28 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 3iet n SER 62 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3iet n VAL 63 N -1.36 0.00 -1.66 -3.33 0.24 -0.90 -5.00 118.33 106.32 3iet n VAL 63 Ca 0.10 -0.38 -0.47 0.00 -2.04 0.00 0.00 64.34 61.54 3iet n VAL 63 Cb 0.24 1.08 -0.05 0.00 -1.47 0.00 0.00 33.84 33.64 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 -0.52 2.19 0.00 7.34 4.81 -0.74 -1.12 118.16 130.13 3iet n LYS 64 Ca 0.00 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 3iet n LYS 64 Cb 0.02 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.34 3iet n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3iet n GLY 65 N 4.66 2.70 0.06 3.14 0.00 -1.26 -4.84 105.19 109.66 3iet n GLY 65 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.45 0.71 -4.16 1.61 1.74 -0.27 -4.96 116.66 110.88 3iet n ARG 66 Ca 0.00 -0.09 -0.31 0.00 -0.77 0.00 0.00 57.85 56.68 3iet n ARG 66 Cb 0.00 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 29.85 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 -2.91 3.01 -0.06 -1.55 0.40 -0.75 -0.77 117.98 115.35 3iet s PHE 67 Ca -0.09 -0.00 -0.01 0.00 -0.60 0.00 0.00 56.93 56.22 3iet s PHE 67 Cb 0.09 -1.56 0.03 0.00 0.51 0.00 0.00 43.02 42.09 3iet s PHE 67 CO 0.85 0.48 0.02 0.99 0.70 0.00 0.00 175.22 178.25 3iet s THR 68 N -1.27 0.20 -0.07 0.64 2.01 0.70 -4.91 115.64 112.94 3iet s THR 68 Ca 0.25 0.23 -0.04 0.00 0.31 0.00 0.00 61.69 62.44 3iet s THR 68 Cb -0.12 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 3iet s THR 68 CO 0.17 0.23 0.10 -0.51 -0.69 0.00 0.00 174.62 173.91 3iet s ILE 69 N 1.99 5.02 0.05 1.82 2.07 -1.26 -0.34 121.20 130.55 3iet s ILE 69 Ca 0.04 -0.09 -0.13 0.00 -1.41 0.00 0.00 60.65 59.06 3iet s ILE 69 Cb -0.12 -3.21 0.02 0.00 0.13 0.00 0.00 42.46 39.27 3iet s ILE 69 CO -0.04 0.52 0.28 0.28 -1.91 0.00 0.00 174.94 174.06 3iet s THR 70 N -1.07 0.09 0.08 4.00 -1.32 -0.60 -5.00 115.64 111.81 3iet s THR 70 Ca 0.18 -0.76 -0.04 0.00 -1.21 0.00 0.00 61.69 59.85 3iet s THR 70 Cb -0.12 -0.98 -0.02 0.00 -1.51 0.00 0.00 72.50 69.87 3iet s THR 70 CO 0.08 -0.42 0.08 0.00 -2.21 0.00 0.00 174.62 172.15 3iet s ARG 71 N -2.74 0.76 -0.29 7.08 1.70 -1.26 -0.72 118.95 123.48 3iet s ARG 71 Ca -0.04 -1.14 -0.03 0.00 -0.47 0.00 0.00 55.73 54.06 3iet s ARG 71 Cb -0.00 0.27 0.10 0.00 -0.57 0.00 0.00 34.95 34.75 3iet s ARG 71 CO -0.05 -0.20 0.11 0.34 -1.08 0.00 0.00 175.30 174.42 3iet s ASP 72 N -2.91 3.65 0.34 -2.89 -1.08 0.14 -4.96 116.67 108.95 3iet s ASP 72 Ca 0.08 -1.37 0.06 0.00 -0.52 0.00 0.00 52.55 50.80 3iet s ASP 72 Cb 0.06 -0.57 0.61 0.00 -1.46 0.00 0.00 42.92 41.57 3iet s ASP 72 CO -0.09 -0.42 1.85 0.44 0.52 0.00 0.00 175.17 177.47 3iet h ASP 73 N 8.27 0.40 0.39 -0.34 3.45 -1.96 -1.92 116.42 124.71 3iet h ASP 73 Ca -0.17 -0.09 -0.03 0.00 0.43 0.00 0.00 57.03 57.17 3iet h ASP 73 Cb 1.02 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.68 3iet h ASP 73 CO 0.44 0.55 -0.14 0.77 -1.57 0.00 0.00 179.24 179.28 3iet h SER 74 N 0.39 0.00 -0.15 6.45 4.64 -1.95 -2.69 113.55 120.24 3iet h SER 74 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3iet h SER 74 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3iet h SER 74 CO 0.02 0.14 0.00 0.29 -0.87 0.00 0.00 176.83 176.42 3iet n LYS 75 N -3.70 1.81 -3.84 4.77 4.76 -0.82 -4.99 118.16 116.15 3iet n LYS 75 Ca -0.02 -1.77 -0.27 0.00 -2.87 0.00 0.00 58.31 53.39 3iet n LYS 75 Cb 0.26 -1.37 0.01 0.00 -1.84 0.00 0.00 35.03 32.09 3iet n LYS 75 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3iet n SER 76 N 1.05 -1.87 -3.91 4.39 7.64 -0.78 -4.79 113.62 115.35 3iet n SER 76 Ca 0.12 -0.99 -0.11 0.00 1.01 0.00 0.00 58.87 58.91 3iet n SER 76 Cb 0.47 -3.27 -0.12 0.00 -1.01 0.00 0.00 64.21 60.28 3iet n SER 76 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3iet s ARG 77 N -6.32 0.23 0.20 1.43 0.52 -0.93 -1.13 118.95 112.96 3iet s ARG 77 Ca 0.14 -0.29 -0.00 0.00 -0.52 0.00 0.00 55.73 55.06 3iet s ARG 77 Cb -0.05 0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.47 3iet s ARG 77 CO 0.87 -0.04 0.09 0.00 0.02 0.00 0.00 175.30 176.24 3iet s MET 78 N -0.83 1.18 0.17 3.54 0.23 -0.68 0.26 119.30 123.18 3iet s MET 78 Ca -0.09 -1.61 -0.12 0.00 -1.03 0.00 0.00 55.69 52.84 3iet s MET 78 Cb -0.06 0.07 0.00 0.00 -1.53 0.00 0.00 34.83 33.32 3iet s MET 78 CO -0.00 -0.31 0.36 -1.54 -2.03 0.00 0.00 175.02 171.50 3iet s SER 79 N -3.18 -0.06 -0.16 -1.18 1.04 0.10 -0.33 113.70 109.93 3iet s SER 79 Ca 0.34 -0.71 -0.02 0.00 0.48 0.00 0.00 55.95 56.03 3iet s SER 79 Cb 0.07 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.72 3iet s SER 79 CO 0.09 -0.93 -0.00 -0.22 0.98 0.00 0.00 173.24 173.16 3iet s LEU 80 N -2.93 1.21 -0.20 2.42 2.96 -0.10 -1.56 118.68 120.49 3iet s LEU 80 Ca 0.13 -0.61 -0.18 0.00 -0.22 0.00 0.00 54.13 53.26 3iet s LEU 80 Cb 0.02 -0.67 -0.03 0.00 0.50 0.00 0.00 46.19 46.00 3iet s LEU 80 CO -0.02 -0.24 0.48 -1.58 -1.32 0.00 0.00 176.35 173.67 3iet s GLN 81 N 1.80 4.19 -0.15 1.98 2.00 0.54 -1.52 119.66 128.49 3iet s GLN 81 Ca 0.01 0.35 0.01 0.00 -2.00 0.00 0.00 55.36 53.73 3iet s GLN 81 Cb -0.15 -3.55 0.02 0.00 0.80 0.00 0.00 33.01 30.12 3iet s GLN 81 CO -0.07 -0.11 -0.19 -1.64 -0.50 0.00 0.00 175.29 172.79 3iet s MET 82 N 1.50 2.75 0.36 1.67 -1.94 0.33 -0.22 119.30 123.75 3iet s MET 82 Ca 0.23 -0.74 0.09 0.00 -1.71 0.00 0.00 55.69 53.55 3iet s MET 82 Cb -0.15 -2.35 -0.06 0.00 2.01 0.00 0.00 34.83 34.28 3iet s MET 82 CO 0.09 -0.15 0.02 -0.80 -0.01 0.00 0.00 175.02 174.17 3iet s ASN 82 N 1.18 4.12 -1.52 3.03 0.01 0.05 -0.86 114.94 120.95 3iet s ASN 82 Ca 0.01 -1.08 -0.03 0.00 -0.71 0.00 0.00 52.86 51.05 3iet s ASN 82 Cb -0.14 -0.48 0.03 0.00 0.41 0.00 0.00 41.25 41.06 3iet s ASN 82 CO -0.08 -0.30 0.27 -1.20 -1.51 0.00 0.00 177.10 174.28 3iet n SER 82 N -0.97 -0.07 -4.75 -1.22 7.64 -1.09 -4.77 113.62 108.39 3iet n SER 82 Ca -0.04 -1.14 -0.38 0.00 1.01 0.00 0.00 58.87 58.31 3iet n SER 82 Cb 0.63 -2.30 0.03 0.00 -1.01 0.00 0.00 64.21 61.57 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 -7.19 3.89 0.23 -3.43 1.43 -0.59 -4.65 118.68 108.37 3iet s LEU 82 Ca 0.11 2.74 0.02 0.00 -1.03 0.00 0.00 54.13 55.97 3iet s LEU 82 Cb -0.06 -4.24 -0.05 0.00 0.03 0.00 0.00 46.19 41.87 3iet s LEU 82 CO 0.95 -1.47 0.03 0.00 0.23 0.00 0.00 176.35 176.09 3iet s ARG 83 N -2.84 1.33 0.39 1.70 1.70 -1.26 0.40 118.95 120.37 3iet s ARG 83 Ca 0.70 -1.69 0.18 0.00 -0.47 0.00 0.00 55.73 54.46 3iet s ARG 83 Cb -0.40 -0.44 1.10 0.00 -0.57 0.00 0.00 34.95 34.65 3iet s ARG 83 CO 0.47 -0.17 1.76 0.00 -1.08 0.00 0.00 175.30 176.28 3iet h ALA 84 N 2.47 2.22 0.00 7.88 0.00 -1.97 0.34 119.26 130.21 3iet h ALA 84 Ca -0.38 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3iet h ALA 84 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3iet h ALA 84 CO 0.63 -0.64 0.00 -0.85 0.00 0.00 0.00 179.25 178.39 3iet n GLU 85 N -4.65 0.18 0.00 0.00 0.00 -1.26 -2.00 120.64 112.91 3iet n GLU 85 Ca 0.26 0.10 0.13 0.00 0.00 0.00 0.00 57.16 57.65 3iet n GLU 85 Cb 0.89 -1.50 0.43 0.00 0.00 0.00 0.00 31.44 31.27 3iet n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3iet n ASP 86 N -1.38 0.37 -4.75 -1.84 8.00 0.12 -4.90 116.55 112.17 3iet n ASP 86 Ca 0.08 -0.10 -0.41 0.00 0.71 0.00 0.00 54.79 55.06 3iet n ASP 86 Cb 0.21 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.25 3iet n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3iet s THR 87 N -2.88 2.29 -4.27 -3.53 2.01 -0.85 -4.90 115.64 103.52 3iet s THR 87 Ca 0.16 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.41 3iet s THR 87 Cb 0.18 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.53 3iet s THR 87 CO 0.60 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.18 3iet n GLY 88 N 2.00 -2.04 3.69 4.40 0.00 -0.44 -4.76 105.19 108.04 3iet n GLY 88 Ca 0.07 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.49 5.12 -0.22 -0.61 1.01 0.11 -1.07 121.20 123.05 3iet s ILE 89 Ca 0.00 1.03 -0.08 0.00 0.00 0.00 0.00 60.65 61.60 3iet s ILE 89 Cb 0.00 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3iet s ILE 89 CO 0.00 0.22 0.09 -0.31 0.00 0.00 0.00 174.94 174.95 3iet s TYR 90 N 1.25 3.20 -0.10 3.97 1.51 0.90 0.28 117.35 128.35 3iet s TYR 90 Ca 0.27 -0.07 -0.03 0.00 -1.01 0.00 0.00 57.07 56.23 3iet s TYR 90 Cb -0.16 -2.19 -0.03 0.00 -0.11 0.00 0.00 41.96 39.47 3iet s TYR 90 CO 0.11 -0.07 0.00 0.71 -1.11 0.00 0.00 175.55 175.19 3iet s TYR 91 N 1.04 3.15 -0.02 2.71 2.02 0.16 -0.55 117.35 125.87 3iet s TYR 91 Ca 0.05 0.12 -0.21 0.00 -0.37 0.00 0.00 57.07 56.66 3iet s TYR 91 Cb -0.14 -1.83 -0.05 0.00 -0.40 0.00 0.00 41.96 39.54 3iet s TYR 91 CO 0.03 0.38 0.62 0.00 -1.57 0.00 0.00 175.55 175.02 3iet s SER 93 N 0.03 -0.19 0.00 0.00 0.15 -0.19 -1.29 113.70 112.22 3iet s SER 93 Ca 0.33 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.27 3iet s SER 93 Cb -0.18 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 3iet s SER 93 CO 0.17 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.04 3iet n GLY 94 N 2.44 -1.29 0.00 9.45 0.00 -0.31 0.23 105.19 115.70 3iet n GLY 94 Ca -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.05 -2.13 0.16 -0.02 0.00 -1.00 -1.13 105.19 101.02 3iet n GLY 95 Ca 0.00 -1.33 0.02 0.00 0.00 0.00 0.00 46.02 44.71 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 0.39 0.00 0.00 1.61 1.57 -1.87 0.96 116.57 119.23 3iet h LYS 96 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iet h LYS 96 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3iet h LYS 96 CO 0.00 0.50 -0.63 0.28 -0.57 0.00 0.00 179.45 179.03 3iet h VAL 97 N 0.00 0.00 -1.27 0.50 2.07 -1.93 -3.45 116.25 112.17 3iet h VAL 97 Ca -0.00 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3iet h VAL 97 Cb 0.96 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3iet h VAL 97 CO 0.06 0.00 -0.04 -1.14 0.02 0.00 0.00 177.57 176.48 3iet n ARG 98 N -2.28 -0.23 -1.76 1.57 3.00 -1.21 -4.70 116.66 111.06 3iet n ARG 98 Ca 0.03 0.64 -0.20 0.00 -0.00 0.00 0.00 57.85 58.32 3iet n ARG 98 Cb 0.46 -0.24 -0.07 0.00 0.00 0.00 0.00 32.46 32.62 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 0.08 -5.45 -0.12 6.15 3.02 -1.26 -4.88 115.26 112.80 3iet n ASN 99 Ca 0.00 0.37 -0.11 0.00 -0.03 0.00 0.00 54.58 54.81 3iet n ASN 99 Cb 0.00 -4.64 -0.03 0.00 -0.61 0.00 0.00 39.78 34.50 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 0.21 0.49 -3.66 5.41 0.00 -1.82 -3.45 119.26 116.45 3iet h ALA 100 Ca -0.42 -0.31 -0.58 0.00 0.00 0.00 0.00 54.91 53.60 3iet h ALA 100 Cb 1.30 -0.13 -0.22 0.00 0.00 0.00 0.00 17.79 18.75 3iet h ALA 100 CO 0.58 0.36 -0.83 0.71 0.00 0.00 0.00 179.25 180.07 3iet s TYR 102 N -4.74 1.88 -0.02 0.00 2.02 -0.28 -4.98 117.35 111.23 3iet s TYR 102 Ca -0.13 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.17 3iet s TYR 102 Cb 0.09 -1.02 0.01 0.00 -0.40 0.00 0.00 41.96 40.64 3iet s TYR 102 CO 0.81 0.24 -0.05 -1.58 -1.57 0.00 0.00 175.55 173.40 3iet s TRP 103 N -1.20 0.57 1.06 2.71 0.52 -1.26 -1.17 118.94 120.17 3iet s TRP 103 Ca 0.08 -0.12 -0.18 0.00 0.02 0.00 0.00 56.10 55.90 3iet s TRP 103 Cb -0.10 -0.47 0.25 0.00 -1.15 0.00 0.00 33.47 32.01 3iet s TRP 103 CO 0.05 -0.09 1.14 0.41 0.02 0.00 0.00 176.95 178.48 3iet n GLY 104 N 3.50 -2.18 0.25 0.98 0.00 -0.41 -4.83 105.19 102.51 3iet n GLY 104 Ca -0.20 -1.59 0.16 0.00 0.00 0.00 0.00 46.02 44.39 3iet n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3iet h GLN 105 N 0.00 0.00 0.00 1.61 3.07 -1.91 -3.45 115.11 114.43 3iet h GLN 105 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.34 3iet h GLN 105 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.72 3iet h GLN 105 CO 0.27 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.60 3iet n GLY 106 N 0.34 0.05 3.00 0.06 0.00 -1.26 -5.01 105.19 102.37 3iet n GLY 106 Ca 0.02 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.62 0.22 -0.10 2.61 -1.32 0.29 -4.75 115.64 109.97 3iet s THR 107 Ca 0.00 -0.93 -0.16 0.00 -1.21 0.00 0.00 61.69 59.39 3iet s THR 107 Cb 0.00 -0.34 -0.05 0.00 -1.51 0.00 0.00 72.50 70.60 3iet s THR 107 CO 0.00 -0.46 0.40 -0.89 -2.21 0.00 0.00 174.62 171.46 3iet s THR 108 N -1.41 5.19 -0.29 5.08 2.01 -1.26 -0.07 115.64 124.89 3iet s THR 108 Ca -0.14 0.80 0.00 0.00 0.31 0.00 0.00 61.69 62.66 3iet s THR 108 Cb -0.10 -3.73 0.06 0.00 0.01 0.00 0.00 72.50 68.74 3iet s THR 108 CO -0.01 0.41 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.60 3iet s VAL 109 N 0.16 2.64 -0.25 3.82 1.01 -0.23 0.09 120.40 127.64 3iet s VAL 109 Ca 0.22 -1.54 -0.03 0.00 0.00 0.00 0.00 61.98 60.63 3iet s VAL 109 Cb -0.15 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.69 3iet s VAL 109 CO 0.09 -0.11 -0.03 0.28 0.00 0.00 0.00 175.10 175.33 3iet s THR 110 N 1.18 3.21 -0.98 3.92 -1.32 0.70 -1.33 115.64 121.02 3iet s THR 110 Ca -0.06 -0.82 -0.01 0.00 -1.21 0.00 0.00 61.69 59.60 3iet s THR 110 Cb -0.20 -2.59 0.32 0.00 -1.51 0.00 0.00 72.50 68.52 3iet s THR 110 CO -0.03 0.24 1.58 0.55 -2.21 0.00 0.00 174.62 174.75 3iet n VAL 111 N 4.74 5.38 0.00 5.08 3.14 -1.26 -1.09 118.33 134.32 3iet n VAL 111 Ca -0.17 -5.90 0.00 0.00 -2.96 0.00 0.00 64.34 55.32 3iet n VAL 111 Cb 0.48 -1.72 0.00 0.00 -1.06 0.00 0.00 33.84 31.54 3iet n VAL 111 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 3iet n SER 112 N 0.38 0.00 0.00 6.55 2.88 -1.21 -4.26 113.62 117.96 3iet n SER 112 Ca 0.38 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 3iet n SER 112 Cb 0.30 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 3iet n SER 112 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3iet n SER 113 N 4.27 0.00 -4.72 -3.46 7.64 -1.26 -4.90 113.62 111.19 3iet n SER 113 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 3iet n SER 113 Cb 0.00 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.31 3iet n SER 113 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3iet s LYS 114 N 0.00 1.82 -0.14 1.43 1.02 -1.26 -4.98 119.74 117.63 3iet s LYS 114 Ca 0.00 1.57 -0.12 0.00 0.02 0.00 0.00 55.97 57.44 3iet s LYS 114 Cb 0.00 -1.81 -0.05 0.00 -0.52 0.00 0.00 37.83 35.45 3iet s LYS 114 CO 0.00 -2.04 0.24 -0.08 -0.92 0.00 0.00 175.35 172.55 3iet s THR 115 N -2.38 5.34 0.29 2.17 -1.32 -1.26 -5.03 115.64 113.44 3iet s THR 115 Ca 0.69 0.44 -0.30 0.00 -1.21 0.00 0.00 61.69 61.31 3iet s THR 115 Cb -0.24 -3.56 -0.12 0.00 -1.51 0.00 0.00 72.50 67.07 3iet s THR 115 CO 0.51 0.48 1.44 0.35 -2.21 0.00 0.00 174.62 175.20 3iet n THR 116 N 2.93 1.27 -3.76 5.08 -2.24 -1.26 -4.75 114.28 111.55 3iet n THR 116 Ca -0.15 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.18 3iet n THR 116 Cb 0.53 -1.67 -0.15 0.00 -2.10 0.00 0.00 70.33 66.94 3iet n THR 116 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3iet s THR 117 N -0.34 -0.04 0.39 4.28 2.01 0.11 -4.92 115.64 117.13 3iet s THR 117 Ca 0.63 0.16 -0.26 0.00 0.31 0.00 0.00 61.69 62.54 3iet s THR 117 Cb -0.57 -0.20 -0.09 0.00 0.01 0.00 0.00 72.50 71.65 3iet s THR 117 CO 0.53 0.07 1.18 0.00 -0.69 0.00 0.00 174.62 175.71 3iet s ALA 118 N 1.00 3.20 0.59 7.40 0.00 -1.26 -1.92 121.76 130.77 3iet s ALA 118 Ca -0.08 1.00 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 3iet s ALA 118 Cb -0.10 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3iet s ALA 118 CO -0.05 -0.53 1.03 -1.25 0.00 0.00 0.00 175.76 174.96 3iet s PRO 119 N -2.20 3.55 -0.09 0.00 0.04 -1.26 -4.55 135.00 130.48 3iet s PRO 119 Ca 0.56 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 3iet s PRO 119 Cb -0.32 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 3iet s PRO 119 CO 0.40 -0.61 0.29 -1.12 0.04 0.00 0.00 177.00 176.01 3iet s SER 120 N -3.40 6.57 -0.23 6.66 0.01 -0.42 -4.94 113.70 117.95 3iet s SER 120 Ca 0.59 0.67 -0.04 0.00 1.31 0.00 0.00 55.95 58.48 3iet s SER 120 Cb -0.12 -2.18 -0.00 0.00 0.21 0.00 0.00 66.02 63.93 3iet s SER 120 CO 0.42 0.28 -0.03 -0.69 0.41 0.00 0.00 173.24 173.62 3iet s VAL 121 N -0.56 3.38 -0.05 3.43 1.01 -1.26 -1.00 120.40 125.35 3iet s VAL 121 Ca 0.19 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3iet s VAL 121 Cb -0.14 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3iet s VAL 121 CO 0.08 0.38 -0.15 -0.31 0.00 0.00 0.00 175.10 175.10 3iet s TYR 122 N 1.47 2.69 0.30 5.22 2.02 0.09 -4.97 117.35 124.17 3iet s TYR 122 Ca 0.05 -0.20 -0.20 0.00 -0.37 0.00 0.00 57.07 56.35 3iet s TYR 122 Cb -0.15 -1.63 -0.09 0.00 -0.40 0.00 0.00 41.96 39.69 3iet s TYR 122 CO -0.03 0.15 0.80 -1.25 -1.57 0.00 0.00 175.55 173.65 3iet s PRO 123 N -0.66 4.23 -0.39 -1.71 0.05 -1.26 -1.35 135.00 133.91 3iet s PRO 123 Ca 0.10 0.93 0.01 0.00 0.05 0.00 0.00 61.00 62.09 3iet s PRO 123 Cb -0.11 -2.62 0.11 0.00 0.05 0.00 0.00 34.50 31.93 3iet s PRO 123 CO 0.01 0.23 0.15 -0.51 0.05 0.00 0.00 177.00 176.93 3iet s LEU 124 N -2.48 4.99 0.16 -3.56 1.43 -0.31 -4.90 118.68 114.01 3iet s LEU 124 Ca 0.51 -2.17 -0.14 0.00 -1.03 0.00 0.00 54.13 51.30 3iet s LEU 124 Cb -0.14 -1.73 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 3iet s LEU 124 CO 0.19 -0.45 0.56 0.00 0.23 0.00 0.00 176.35 176.88 3iet s ALA 125 N 0.92 3.56 0.90 4.21 0.00 -1.26 -1.18 121.76 128.91 3iet s ALA 125 Ca 0.10 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.82 3iet s ALA 125 Cb -0.21 -2.53 0.11 0.00 0.00 0.00 0.00 23.12 20.49 3iet s ALA 125 CO -0.06 0.45 1.02 -2.30 0.00 0.00 0.00 175.76 174.88 3iet n PRO 126 N 0.65 -0.28 0.26 0.00 -0.02 -1.26 -4.99 135.00 129.36 3iet n PRO 126 Ca -0.04 -0.02 0.13 0.00 -2.02 0.00 0.00 63.50 61.55 3iet n PRO 126 Cb 0.52 -2.29 0.79 0.00 -0.02 0.00 0.00 33.50 32.50 3iet n PRO 126 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3iet h VAL 127 N -1.60 0.71 0.00 -1.45 2.07 -1.97 -3.51 116.25 110.50 3iet h VAL 127 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3iet h VAL 127 Cb 1.28 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3iet h VAL 127 CO 0.41 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.80 3iet n SER 135 N -4.14 0.00 -4.77 0.57 7.64 -0.89 -5.21 113.62 106.83 3iet n SER 135 Ca -0.02 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.48 3iet n SER 135 Cb 0.14 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.00 4.13 -0.08 0.44 0.11 -0.60 -4.86 120.40 119.55 3iet s VAL 136 Ca 0.00 1.85 0.04 0.00 -2.93 0.00 0.00 61.98 60.94 3iet s VAL 136 Cb 0.00 -4.07 0.00 0.00 -1.53 0.00 0.00 36.38 30.79 3iet s VAL 136 CO 0.00 0.22 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.91 3iet s THR 137 N -1.50 1.70 0.39 5.04 2.01 -1.26 -1.15 115.64 120.87 3iet s THR 137 Ca 0.48 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.73 3iet s THR 137 Cb -0.21 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.77 3iet s THR 137 CO 0.26 0.48 0.16 -0.76 -0.69 0.00 0.00 174.62 174.08 3iet s LEU 138 N 0.33 3.15 0.18 4.42 1.02 0.38 -4.36 118.68 123.79 3iet s LEU 138 Ca -0.14 -0.98 -0.03 0.00 0.02 0.00 0.00 54.13 53.01 3iet s LEU 138 Cb -0.16 -1.53 -0.03 0.00 0.02 0.00 0.00 46.19 44.48 3iet s LEU 138 CO 0.06 -0.46 0.15 -0.83 0.02 0.00 0.00 176.35 175.29 3iet s GLY 139 N -3.88 1.11 -0.08 -3.19 0.00 -0.33 -1.18 107.32 99.77 3iet s GLY 139 Ca 0.40 -1.47 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 3iet s GLY 139 CO 0.23 -1.26 0.18 0.00 0.00 0.00 0.00 173.10 172.24 3iet s LEU 141 N 1.01 2.12 -0.37 0.00 2.96 -0.46 -1.22 118.68 122.73 3iet s LEU 141 Ca -0.08 -0.62 -0.00 0.00 -0.22 0.00 0.00 54.13 53.21 3iet s LEU 141 Cb -0.09 -1.46 0.10 0.00 0.50 0.00 0.00 46.19 45.24 3iet s LEU 141 CO -0.06 0.05 0.12 -0.69 -1.32 0.00 0.00 176.35 174.45 3iet s VAL 142 N 1.01 2.86 -0.01 1.68 1.01 0.56 -0.73 120.40 126.78 3iet s VAL 142 Ca -0.02 -2.08 0.08 0.00 0.00 0.00 0.00 61.98 59.96 3iet s VAL 142 Cb -0.14 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 3iet s VAL 142 CO -0.06 -0.58 -0.25 -0.75 0.00 0.00 0.00 175.10 173.45 3iet s LYS 143 N 1.06 2.07 -0.29 2.72 2.20 -0.17 -0.83 119.74 126.50 3iet s LYS 143 Ca 0.07 -0.95 -0.00 0.00 -0.36 0.00 0.00 55.97 54.73 3iet s LYS 143 Cb -0.21 -2.05 -0.00 0.00 -1.51 0.00 0.00 37.83 34.06 3iet s LYS 143 CO -0.05 0.55 0.25 0.41 -0.36 0.00 0.00 175.35 176.15 3iet n GLY 144 N 2.29 0.25 3.46 5.54 0.00 -0.47 -1.30 105.19 114.96 3iet n GLY 144 Ca -0.16 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.09 2.06 -0.28 1.61 -0.85 -0.89 -4.29 117.35 111.62 3iet s TYR 145 Ca 0.00 -0.71 -0.25 0.00 -0.52 0.00 0.00 57.07 55.59 3iet s TYR 145 Cb -0.00 -1.23 0.15 0.00 0.38 0.00 0.00 41.96 41.26 3iet s TYR 145 CO 0.18 0.29 1.22 0.12 -1.52 0.00 0.00 175.55 175.85 3iet s PHE 146 N -2.98 -0.27 0.00 -3.49 2.19 -0.81 -0.49 117.98 112.13 3iet s PHE 146 Ca 0.31 0.65 0.00 0.00 0.33 0.00 0.00 56.93 58.23 3iet s PHE 146 Cb 0.05 0.42 0.00 0.00 -1.31 0.00 0.00 43.02 42.18 3iet s PHE 146 CO 0.14 -0.14 0.00 -0.35 1.83 0.00 0.00 175.22 176.70 3iet n PRO 147 N 1.83 0.43 -1.62 10.12 -0.04 -1.26 0.07 135.00 144.53 3iet n PRO 147 Ca -0.11 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.03 3iet n PRO 147 Cb 0.56 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.08 3iet n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3iet s GLU 148 N -2.54 2.69 0.40 0.54 0.41 -1.26 -4.75 118.70 114.20 3iet s GLU 148 Ca 0.00 1.28 0.08 0.00 -0.41 0.00 0.00 54.97 55.92 3iet s GLU 148 Cb 0.00 -1.94 -0.04 0.00 -1.78 0.00 0.00 34.13 30.37 3iet s GLU 148 CO 0.00 -1.32 0.25 -1.25 -0.49 0.00 0.00 175.26 172.45 3iet s PRO 149 N -4.39 2.38 0.23 0.39 0.04 -1.26 -4.94 135.00 127.44 3iet s PRO 149 Ca 0.64 -1.67 0.10 0.00 0.04 0.00 0.00 61.00 60.11 3iet s PRO 149 Cb -0.19 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 3iet s PRO 149 CO 0.46 -0.11 -0.11 0.14 0.04 0.00 0.00 177.00 177.42 3iet s VAL 150 N -2.52 2.99 -0.11 -0.36 -7.23 -1.26 -4.37 120.40 107.53 3iet s VAL 150 Ca 0.43 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 3iet s VAL 150 Cb 0.00 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 3iet s VAL 150 CO 0.25 -0.24 -0.12 0.42 -0.31 0.00 0.00 175.10 175.10 3iet s THR 151 N -2.03 3.18 -0.06 5.32 -4.23 -0.33 -4.97 115.64 112.52 3iet s THR 151 Ca 0.27 -0.63 0.04 0.00 -1.18 0.00 0.00 61.69 60.19 3iet s THR 151 Cb -0.07 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.45 3iet s THR 151 CO 0.16 0.54 -0.18 -0.22 -0.54 0.00 0.00 174.62 174.38 3iet s LEU 152 N 0.08 1.88 0.11 4.79 0.20 -1.26 -1.28 118.68 123.20 3iet s LEU 152 Ca -0.05 -0.39 0.02 0.00 0.69 0.00 0.00 54.13 54.40 3iet s LEU 152 Cb -0.14 -1.05 -0.04 0.00 -0.43 0.00 0.00 46.19 44.52 3iet s LEU 152 CO 0.04 0.12 -0.07 0.28 -0.29 0.00 0.00 176.35 176.44 3iet s THR 153 N 0.30 0.77 -0.09 3.68 -1.32 -0.05 -4.98 115.64 113.95 3iet s THR 153 Ca -0.11 -1.96 0.02 0.00 -1.21 0.00 0.00 61.69 58.43 3iet s THR 153 Cb -0.15 -1.74 -0.02 0.00 -1.51 0.00 0.00 72.50 69.08 3iet s THR 153 CO 0.04 -0.82 -0.15 0.26 -2.21 0.00 0.00 174.62 171.74 3iet s TRP 154 N -3.58 2.73 -1.70 9.09 0.52 -1.26 -0.28 118.94 124.46 3iet s TRP 154 Ca 0.14 -0.50 -0.16 0.00 0.02 0.00 0.00 56.10 55.59 3iet s TRP 154 Cb 0.05 -1.74 0.14 0.00 -1.15 0.00 0.00 33.47 30.77 3iet s TRP 154 CO -0.03 -0.09 0.60 0.09 0.02 0.00 0.00 176.95 177.54 3iet n ASN 155 N 3.06 -2.04 -1.75 2.95 3.02 -0.41 -0.83 115.26 119.26 3iet n ASN 155 Ca -0.18 -1.11 -0.16 0.00 -0.03 0.00 0.00 54.58 53.11 3iet n ASN 155 Cb 0.52 -2.34 -0.01 0.00 -0.61 0.00 0.00 39.78 37.34 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 -2.67 -4.78 0.00 6.41 7.64 -1.26 -2.29 113.62 116.67 3iet n SER 156 Ca -0.01 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3iet n SER 156 Cb 0.53 -3.87 0.00 0.00 -1.01 0.00 0.00 64.21 59.85 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 -1.02 1.27 0.20 0.23 0.00 -0.01 -4.89 105.19 100.97 3iet n GLY 157 Ca -0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.87 3iet n GLY 157 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iet h SER 158 N 0.00 0.00 -3.22 1.61 4.64 -1.41 -3.37 113.55 111.80 3iet h SER 158 Ca 0.00 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.58 3iet h SER 158 Cb 0.00 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 61.86 3iet h SER 158 CO 0.00 0.31 -0.27 -0.22 -0.87 0.00 0.00 176.83 175.77 3iet s LEU 159 N -8.28 5.79 0.00 5.97 2.96 -1.07 -4.78 118.68 119.28 3iet s LEU 159 Ca -0.03 -1.47 0.00 0.00 -0.22 0.00 0.00 54.13 52.41 3iet s LEU 159 Cb 0.15 -2.20 0.00 0.00 0.50 0.00 0.00 46.19 44.63 3iet s LEU 159 CO 0.71 -0.74 0.00 -1.54 -1.32 0.00 0.00 176.35 173.47 3iet n SER 160 N 5.27 2.49 -4.67 3.68 3.41 -1.26 -4.33 113.62 118.22 3iet n SER 160 Ca -0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.06 3iet n SER 160 Cb 0.42 0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.73 3iet n SER 160 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3iet s SER 161 N -1.46 6.65 0.00 4.04 1.04 -1.26 -2.75 113.70 119.95 3iet s SER 161 Ca 0.00 2.32 0.00 0.00 0.48 0.00 0.00 55.95 58.75 3iet s SER 161 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 3iet s SER 161 CO 0.00 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.92 3iet n GLY 162 N 4.09 0.60 3.78 7.32 0.00 -1.26 -4.75 105.19 114.96 3iet n GLY 162 Ca 0.17 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 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 5.20 -0.21 1.61 1.01 -1.11 -1.34 120.40 123.56 3iet s VAL 163 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3iet s VAL 163 Cb 0.00 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 33.14 3iet s VAL 163 CO 0.00 0.55 -0.05 -1.00 0.00 0.00 0.00 175.10 174.60 3iet s HIS 164 N -0.44 2.07 -0.20 5.22 3.76 -0.37 -5.00 115.29 120.33 3iet s HIS 164 Ca 0.11 -1.46 -0.07 0.00 -0.15 0.00 0.00 55.06 53.49 3iet s HIS 164 Cb -0.12 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 32.08 3iet s HIS 164 CO 0.02 -0.71 0.05 0.99 -0.85 0.00 0.00 174.74 174.24 3iet s THR 165 N 1.51 4.55 -0.06 1.30 2.01 -1.26 -1.10 115.64 122.59 3iet s THR 165 Ca -0.03 -0.11 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 3iet s THR 165 Cb -0.17 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 3iet s THR 165 CO -0.07 0.43 0.16 -0.36 -0.69 0.00 0.00 174.62 174.08 3iet s PHE 166 N 0.74 3.56 0.34 4.92 0.40 -0.46 -5.02 117.98 122.47 3iet s PHE 166 Ca 0.03 0.42 -0.29 0.00 -0.60 0.00 0.00 56.93 56.50 3iet s PHE 166 Cb -0.14 -1.87 -0.11 0.00 0.51 0.00 0.00 43.02 41.42 3iet s PHE 166 CO 0.02 0.68 1.45 -2.14 0.70 0.00 0.00 175.22 175.93 3iet s PRO 167 N -1.54 4.19 0.24 0.24 0.02 -1.26 -4.12 135.00 132.77 3iet s PRO 167 Ca 0.22 2.46 -0.31 0.00 0.02 0.00 0.00 61.00 63.39 3iet s PRO 167 Cb -0.12 -3.01 -0.14 0.00 0.02 0.00 0.00 34.50 31.24 3iet s PRO 167 CO 0.12 -0.45 1.29 0.00 -0.33 0.00 0.00 177.00 177.63 3iet n ALA 168 N 0.92 0.51 -2.32 -1.55 0.00 -1.26 -4.83 120.51 111.96 3iet n ALA 168 Ca 0.02 0.42 -0.31 0.00 0.00 0.00 0.00 53.44 53.57 3iet n ALA 168 Cb 0.40 -2.18 -0.16 0.00 0.00 0.00 0.00 19.45 17.51 3iet n ALA 168 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iet s VAL 169 N -0.33 2.11 -0.28 0.00 1.01 -0.63 -4.96 120.40 117.32 3iet s VAL 169 Ca 0.67 -1.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 3iet s VAL 169 Cb -0.70 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3iet s VAL 169 CO 0.53 0.55 0.12 -0.22 0.00 0.00 0.00 175.10 176.08 3iet s LEU 170 N -0.70 3.83 -0.18 3.92 2.96 -1.26 -1.66 118.68 125.59 3iet s LEU 170 Ca 0.10 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 3iet s LEU 170 Cb -0.10 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.64 3iet s LEU 170 CO -0.00 -0.12 -0.17 0.00 -1.32 0.00 0.00 176.35 174.73 3iet s GLN 171 N 1.62 2.71 -1.18 1.98 -2.07 -0.32 -4.87 119.66 117.53 3iet s GLN 171 Ca 0.05 -0.79 -0.02 0.00 -1.82 0.00 0.00 55.36 52.79 3iet s GLN 171 Cb -0.16 -2.46 -0.02 0.00 -1.09 0.00 0.00 33.01 29.29 3iet s GLN 171 CO 0.06 -0.25 0.95 0.45 -1.32 0.00 0.00 175.29 175.18 3iet n SER 172 N 4.65 -3.00 0.00 12.60 2.88 -1.26 -2.52 113.62 126.97 3iet n SER 172 Ca -0.19 -0.67 0.00 0.00 -1.33 0.00 0.00 58.87 56.68 3iet n SER 172 Cb 0.49 -5.01 0.00 0.00 -0.75 0.00 0.00 64.21 58.94 3iet n SER 172 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3iet n ASP 173 N -3.14 0.00 -4.21 -3.46 10.43 -1.26 -4.99 116.55 109.93 3iet n ASP 173 Ca -0.24 0.00 -0.27 0.00 2.57 0.00 0.00 54.79 56.85 3iet n ASP 173 Cb 0.66 -0.37 -0.16 0.00 1.84 0.00 0.00 41.12 43.09 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 0.00 2.04 0.15 0.64 1.02 -1.05 -4.76 118.68 116.71 3iet s LEU 174 Ca 0.00 -0.36 -0.05 0.00 0.02 0.00 0.00 54.13 53.74 3iet s LEU 174 Cb 0.00 -1.02 -0.06 0.00 0.02 0.00 0.00 46.19 45.13 3iet s LEU 174 CO 0.00 0.24 0.38 -0.31 0.02 0.00 0.00 176.35 176.69 3iet s TYR 175 N -0.46 3.47 0.04 0.29 1.51 0.35 -1.18 117.35 121.37 3iet s TYR 175 Ca 0.08 0.57 0.04 0.00 -1.01 0.00 0.00 57.07 56.74 3iet s TYR 175 Cb -0.08 -2.02 -0.02 0.00 -0.11 0.00 0.00 41.96 39.74 3iet s TYR 175 CO -0.01 0.43 -0.12 0.95 -1.11 0.00 0.00 175.55 175.70 3iet s THR 176 N -1.66 0.89 0.24 -0.71 -4.23 -0.66 -1.37 115.64 108.13 3iet s THR 176 Ca 0.41 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 3iet s THR 176 Cb -0.12 -0.84 -0.03 0.00 1.34 0.00 0.00 72.50 72.84 3iet s THR 176 CO 0.24 -0.10 0.19 -1.48 -0.54 0.00 0.00 174.62 172.94 3iet s LEU 177 N -1.19 1.25 0.18 4.79 0.05 -0.01 -1.61 118.68 122.14 3iet s LEU 177 Ca -0.01 -1.46 -0.17 0.00 0.05 0.00 0.00 54.13 52.54 3iet s LEU 177 Cb -0.08 0.52 0.03 0.00 -2.05 0.00 0.00 46.19 44.61 3iet s LEU 177 CO 0.01 -0.92 0.48 -0.94 -0.55 0.00 0.00 176.35 174.44 3iet s SER 178 N -3.20 -0.25 -0.06 1.48 1.04 -1.26 -0.33 113.70 111.12 3iet s SER 178 Ca 0.38 -0.45 -0.09 0.00 0.48 0.00 0.00 55.95 56.28 3iet s SER 178 Cb 0.05 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.74 3iet s SER 178 CO 0.16 -0.99 0.23 -0.55 0.98 0.00 0.00 173.24 173.06 3iet s SER 179 N -2.86 -0.19 0.11 7.02 0.15 -0.35 -1.35 113.70 116.23 3iet s SER 179 Ca 0.08 0.29 0.10 0.00 0.70 0.00 0.00 55.95 57.12 3iet s SER 179 Cb -0.00 0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 64.68 3iet s SER 179 CO -0.05 -0.18 -0.25 -0.94 1.20 0.00 0.00 173.24 173.01 3iet s SER 180 N -0.35 3.41 -0.07 5.45 1.04 -0.26 -0.66 113.70 122.26 3iet s SER 180 Ca -0.05 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 55.71 3iet s SER 180 Cb -0.03 -0.30 0.02 0.00 0.10 0.00 0.00 66.02 65.81 3iet s SER 180 CO 0.01 0.19 -0.06 0.54 0.98 0.00 0.00 173.24 174.90 3iet s VAL 181 N -1.03 0.74 -0.18 5.02 0.11 -0.32 -1.24 120.40 123.50 3iet s VAL 181 Ca 0.14 -0.20 -0.03 0.00 -2.93 0.00 0.00 61.98 58.96 3iet s VAL 181 Cb -0.10 -0.76 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 3iet s VAL 181 CO 0.06 0.29 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.17 3iet s THR 182 N 1.15 3.54 0.23 5.04 2.01 -0.45 -0.47 115.64 126.69 3iet s THR 182 Ca -0.07 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.48 3iet s THR 182 Cb -0.14 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 3iet s THR 182 CO -0.01 0.46 0.09 0.68 -0.69 0.00 0.00 174.62 175.15 3iet s VAL 183 N 0.88 0.48 0.59 3.82 -7.23 -0.30 -4.62 120.40 114.01 3iet s VAL 183 Ca -0.01 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.01 3iet s VAL 183 Cb -0.15 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 3iet s VAL 183 CO 0.01 -0.08 1.04 0.42 -0.31 0.00 0.00 175.10 176.18 3iet s THR 184 N -3.81 4.09 0.34 5.32 -4.23 -1.26 -1.55 115.64 114.54 3iet s THR 184 Ca 0.36 0.93 0.02 0.00 -1.18 0.00 0.00 61.69 61.82 3iet s THR 184 Cb 0.07 -3.51 0.27 0.00 1.34 0.00 0.00 72.50 70.68 3iet s THR 184 CO 0.12 -0.64 1.98 0.28 -0.54 0.00 0.00 174.62 175.82 3iet h SER 185 N 0.37 0.77 -0.09 3.99 0.02 -1.92 -0.80 113.55 115.88 3iet h SER 185 Ca -0.46 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3iet h SER 185 Cb 1.21 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3iet h SER 185 CO 0.59 0.54 0.00 -1.54 -1.14 0.00 0.00 176.83 175.28 3iet n SER 186 N -4.45 0.83 -0.12 3.07 3.41 -1.26 -3.70 113.62 111.40 3iet n SER 186 Ca 0.08 -2.03 -0.25 0.00 -0.26 0.00 0.00 58.87 56.41 3iet n SER 186 Cb 0.09 -0.19 -0.10 0.00 -0.26 0.00 0.00 64.21 63.76 3iet n SER 186 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3iet n THR 187 N -0.13 1.52 -4.77 6.66 -1.04 -0.31 -4.81 114.28 111.40 3iet n THR 187 Ca 0.03 -0.23 -0.26 0.00 -2.04 0.00 0.00 64.05 61.55 3iet n THR 187 Cb 0.16 -1.98 -0.15 0.00 -1.82 0.00 0.00 70.33 66.55 3iet n THR 187 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 3iet s TRP 188 N -2.49 1.85 -0.94 -1.42 -0.00 -1.24 0.29 118.94 114.99 3iet s TRP 188 Ca -0.35 -0.37 0.09 0.00 -0.00 0.00 0.00 56.10 55.47 3iet s TRP 188 Cb 0.11 -1.13 0.42 0.00 -0.00 0.00 0.00 33.47 32.87 3iet s TRP 188 CO 0.50 0.05 1.20 -0.35 -0.00 0.00 0.00 176.95 178.36 3iet n PRO 189 N 2.07 2.83 -0.10 5.86 -0.05 -1.26 -4.82 135.00 139.53 3iet n PRO 189 Ca -0.17 -1.64 -0.13 0.00 -0.05 0.00 0.00 63.50 61.51 3iet n PRO 189 Cb 0.53 -1.77 -0.04 0.00 -0.05 0.00 0.00 33.50 32.17 3iet n PRO 189 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3iet h SER 190 N 2.20 0.85 -3.32 3.54 4.64 -1.87 -3.41 113.55 116.18 3iet h SER 190 Ca 0.00 -0.48 -0.58 0.00 -0.47 0.00 0.00 61.79 60.25 3iet h SER 190 Cb 1.12 -0.24 -0.09 0.00 -0.31 0.00 0.00 62.40 62.87 3iet h SER 190 CO 0.20 1.16 -0.25 -1.10 -0.87 0.00 0.00 176.83 175.97 3iet s GLN 191 N -4.32 4.28 0.28 4.77 -1.52 0.14 -5.05 119.66 118.24 3iet s GLN 191 Ca -0.12 0.23 -0.29 0.00 -1.95 0.00 0.00 55.36 53.23 3iet s GLN 191 Cb 0.09 -3.44 -0.10 0.00 -0.22 0.00 0.00 33.01 29.35 3iet s GLN 191 CO 0.85 0.19 1.33 -1.54 -0.25 0.00 0.00 175.29 175.86 3iet s SER 192 N 0.58 6.80 -0.12 5.90 1.04 -1.26 -4.48 113.70 122.15 3iet s SER 192 Ca 0.20 2.61 -0.00 0.00 0.48 0.00 0.00 55.95 59.24 3iet s SER 192 Cb -0.14 -2.63 0.02 0.00 0.10 0.00 0.00 66.02 63.37 3iet s SER 192 CO 0.06 -0.55 -0.09 -0.63 0.98 0.00 0.00 173.24 173.01 3iet s ILE 193 N -0.65 1.16 0.11 -1.02 1.01 -1.26 -5.01 121.20 115.53 3iet s ILE 193 Ca 0.52 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.84 3iet s ILE 193 Cb -0.39 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 3iet s ILE 193 CO 0.47 0.39 -0.11 0.28 0.00 0.00 0.00 174.94 175.97 3iet s THR 194 N 1.60 1.05 -0.27 2.92 -1.32 -1.26 -1.18 115.64 117.18 3iet s THR 194 Ca 0.04 -1.67 -0.09 0.00 -1.21 0.00 0.00 61.69 58.76 3iet s THR 194 Cb -0.13 -1.42 -0.03 0.00 -1.51 0.00 0.00 72.50 69.41 3iet s THR 194 CO -0.08 -0.53 0.12 0.00 -2.21 0.00 0.00 174.62 171.92 3iet s ASN 196 N 1.66 5.56 -0.07 0.00 -0.87 0.62 -1.12 114.94 120.72 3iet s ASN 196 Ca 0.06 -0.33 0.04 0.00 -1.57 0.00 0.00 52.86 51.07 3iet s ASN 196 Cb -0.16 -2.01 -0.01 0.00 -0.02 0.00 0.00 41.25 39.05 3iet s ASN 196 CO 0.06 -0.12 -0.20 -0.69 -2.57 0.00 0.00 177.10 173.58 3iet s VAL 197 N 1.65 2.47 -0.11 1.60 1.01 0.06 -0.87 120.40 126.22 3iet s VAL 197 Ca 0.06 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3iet s VAL 197 Cb -0.16 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.28 3iet s VAL 197 CO 0.07 0.57 -0.19 0.00 0.00 0.00 0.00 175.10 175.55 3iet s ALA 198 N -0.17 1.89 -0.64 5.51 0.00 -0.41 -0.77 121.76 127.17 3iet s ALA 198 Ca -0.02 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.15 3iet s ALA 198 Cb -0.14 -0.82 0.15 0.00 0.00 0.00 0.00 23.12 22.32 3iet s ALA 198 CO 0.04 0.07 0.41 -1.58 0.00 0.00 0.00 175.76 174.69 3iet s HIS 199 N 0.71 3.42 0.29 0.00 2.46 0.51 -1.18 115.29 121.50 3iet s HIS 199 Ca -0.12 -3.28 0.01 0.00 0.47 0.00 0.00 55.06 52.14 3iet s HIS 199 Cb -0.16 -2.75 0.69 0.00 -0.13 0.00 0.00 32.58 30.23 3iet s HIS 199 CO 0.02 -0.62 1.61 -1.35 -2.47 0.00 0.00 174.74 171.94 3iet h PRO 200 N 5.80 0.09 -0.66 2.88 0.11 -1.78 -1.91 132.00 136.53 3iet h PRO 200 Ca 0.06 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.26 3iet h PRO 200 Cb 0.80 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.85 3iet h PRO 200 CO 0.71 0.06 0.44 0.00 -0.21 0.00 0.00 178.00 179.00 3iet h ALA 201 N 1.86 1.92 -0.44 -0.75 0.00 -1.92 0.15 119.26 120.09 3iet h ALA 201 Ca 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3iet h ALA 201 Cb 1.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3iet h ALA 201 CO -0.77 -0.06 0.00 -1.13 0.00 0.00 0.00 179.25 177.29 3iet n SER 202 N -4.48 3.27 -3.45 0.00 3.41 -0.77 -4.97 113.62 106.63 3iet n SER 202 Ca 0.11 -2.07 -0.24 0.00 -0.26 0.00 0.00 58.87 56.41 3iet n SER 202 Cb 0.35 -0.32 0.06 0.00 -0.26 0.00 0.00 64.21 64.04 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 0.73 -6.20 -4.56 4.04 7.64 0.54 -4.91 113.62 110.91 3iet n SER 203 Ca 0.15 -0.48 -0.34 0.00 1.01 0.00 0.00 58.87 59.22 3iet n SER 203 Cb 0.51 -4.92 -0.11 0.00 -1.01 0.00 0.00 64.21 58.68 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 -3.27 4.11 -0.07 0.44 -4.23 -0.98 -4.99 115.64 106.64 3iet s THR 204 Ca 0.51 -0.29 0.04 0.00 -1.18 0.00 0.00 61.69 60.77 3iet s THR 204 Cb -0.23 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.83 3iet s THR 204 CO 0.63 0.51 -0.20 -0.54 -0.54 0.00 0.00 174.62 174.49 3iet s LYS 205 N 0.08 2.38 -0.17 3.99 -0.14 -1.26 -0.36 119.74 124.26 3iet s LYS 205 Ca 0.01 -0.70 -0.15 0.00 -1.36 0.00 0.00 55.97 53.76 3iet s LYS 205 Cb -0.13 -1.90 0.05 0.00 -1.68 0.00 0.00 37.83 34.17 3iet s LYS 205 CO 0.02 0.18 0.45 0.14 -0.76 0.00 0.00 175.35 175.38 3iet s VAL 206 N 0.31 -0.00 -0.16 3.17 -7.23 0.05 -5.01 120.40 111.53 3iet s VAL 206 Ca -0.13 0.01 -0.01 0.00 -1.81 0.00 0.00 61.98 60.03 3iet s VAL 206 Cb -0.16 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.13 3iet s VAL 206 CO 0.06 0.00 -0.10 -1.81 -0.31 0.00 0.00 175.10 172.94 3iet s ASP 207 N 0.35 4.10 -0.26 4.85 1.01 -1.26 -0.76 116.67 124.69 3iet s ASP 207 Ca -0.01 -0.35 0.03 0.00 0.71 0.00 0.00 52.55 52.93 3iet s ASP 207 Cb -0.04 -1.65 0.06 0.00 1.01 0.00 0.00 42.92 42.31 3iet s ASP 207 CO -0.01 0.11 -0.09 -0.75 0.21 0.00 0.00 175.17 174.64 3iet s LYS 208 N 0.70 2.12 0.07 8.23 2.47 -0.27 -4.94 119.74 128.12 3iet s LYS 208 Ca -0.05 -1.33 -0.30 0.00 -1.56 0.00 0.00 55.97 52.73 3iet s LYS 208 Cb -0.15 -2.87 -0.06 0.00 -1.46 0.00 0.00 37.83 33.30 3iet s LYS 208 CO 0.02 -0.59 1.15 0.21 0.16 0.00 0.00 175.35 176.30 3iet s LYS 209 N 1.13 4.48 -0.43 4.03 2.36 -1.26 -0.95 119.74 129.10 3iet s LYS 209 Ca -0.08 1.71 -0.29 0.00 -2.55 0.00 0.00 55.97 54.77 3iet s LYS 209 Cb -0.20 -3.35 0.02 0.00 -1.05 0.00 0.00 37.83 33.26 3iet s LYS 209 CO -0.05 -0.17 1.17 0.42 1.55 0.00 0.00 175.35 178.27 3iet s ILE 210 N 0.83 4.22 -0.14 5.43 -1.09 -0.33 -4.91 121.20 125.21 3iet s ILE 210 Ca 0.56 1.29 -0.06 0.00 -2.23 0.00 0.00 60.65 60.21 3iet s ILE 210 Cb -0.28 -4.49 -0.04 0.00 -1.58 0.00 0.00 42.46 36.07 3iet s ILE 210 CO 0.30 -0.84 0.08 -0.70 -1.23 0.00 0.00 174.94 172.55 3iet s GLU 211 N 4.35 3.55 0.00 2.79 2.56 -1.26 -4.66 118.70 126.02 3iet s GLU 211 Ca 0.50 -0.27 0.00 0.00 0.00 0.00 0.00 54.97 55.20 3iet s GLU 211 Cb -0.10 -3.12 0.00 0.00 2.00 0.00 0.00 34.13 32.91 3iet s GLU 211 CO 0.28 0.57 0.38 -2.30 -0.56 0.00 0.00 175.26 173.64