#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1m s GLU 9 N 0.00 3.81 0.37 1.64 2.02 -1.26 -5.01 118.70 120.27 1u1m s GLU 9 Ca 0.00 0.67 -0.28 0.00 0.02 0.00 0.00 54.97 55.38 1u1m s GLU 9 Cb 0.00 -2.26 -0.11 0.00 0.10 0.00 0.00 34.13 31.86 1u1m s GLU 9 CO 0.00 -0.20 1.50 -2.30 0.02 0.00 0.00 175.26 174.28 1u1m n PRO 10 N -1.63 2.67 -0.23 0.39 -0.02 -1.26 -4.88 135.00 130.03 1u1m n PRO 10 Ca 0.04 0.94 0.03 0.00 -2.02 0.00 0.00 63.50 62.49 1u1m n PRO 10 Cb 0.54 -2.67 0.15 0.00 -0.02 0.00 0.00 33.50 31.50 1u1m n PRO 10 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1u1m h GLU 11 N 3.14 0.31 -0.77 -0.52 4.22 -1.98 -1.10 114.58 117.88 1u1m h GLU 11 Ca -0.50 -0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.02 1u1m h GLU 11 Cb 1.24 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 1u1m h GLU 11 CO 0.66 0.21 0.51 0.37 -2.18 0.00 0.00 179.01 178.57 1u1m h GLN 12 N 0.32 0.67 -0.00 1.92 5.75 -1.95 -0.19 115.11 121.63 1u1m h GLN 12 Ca 0.36 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.82 1u1m h GLN 12 Cb 0.56 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.96 1u1m h GLN 12 CO -0.42 0.44 -0.12 1.28 -2.65 0.00 0.00 178.83 177.36 1u1m n LEU 13 N -4.50 0.47 -0.73 -2.39 4.77 -0.45 -3.37 117.00 110.79 1u1m n LEU 13 Ca 0.13 0.02 0.09 0.00 -0.03 0.00 0.00 56.01 56.22 1u1m n LEU 13 Cb 0.34 -0.19 0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1u1m n LEU 13 CO 0.32 0.09 0.54 0.54 -1.33 0.00 0.00 177.39 177.55 1u1m n ARG 14 N -0.98 1.55 -4.53 3.23 1.74 -0.12 -4.69 116.66 112.87 1u1m n ARG 14 Ca 0.14 -1.58 -0.33 0.00 -0.77 0.00 0.00 57.85 55.31 1u1m n ARG 14 Cb 0.28 -1.35 -0.11 0.00 -1.02 0.00 0.00 32.46 30.26 1u1m n ARG 14 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1u1m s LYS 15 N -1.54 2.62 -0.01 5.56 2.20 -0.99 -1.04 119.74 126.54 1u1m s LYS 15 Ca 0.21 -0.66 0.07 0.00 -0.36 0.00 0.00 55.97 55.24 1u1m s LYS 15 Cb 0.15 -2.53 -0.02 0.00 -1.51 0.00 0.00 37.83 33.92 1u1m s LYS 15 CO 0.23 0.63 -0.23 -0.51 -0.36 0.00 0.00 175.35 175.11 1u1m s LEU 16 N -1.18 2.24 0.10 5.43 1.43 -0.02 -1.75 118.68 124.92 1u1m s LEU 16 Ca 0.15 -0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 52.61 1u1m s LEU 16 Cb -0.11 -1.39 -0.07 0.00 0.03 0.00 0.00 46.19 44.65 1u1m s LEU 16 CO 0.05 0.31 0.63 0.12 0.23 0.00 0.00 176.35 177.69 1u1m s PHE 17 N -0.68 3.83 -0.30 0.29 5.36 0.15 -2.18 117.98 124.46 1u1m s PHE 17 Ca 0.11 1.37 0.02 0.00 -0.96 0.00 0.00 56.93 57.47 1u1m s PHE 17 Cb -0.10 -2.58 0.08 0.00 -0.34 0.00 0.00 43.02 40.09 1u1m s PHE 17 CO 0.00 0.56 0.01 0.42 -1.46 0.00 0.00 175.22 174.75 1u1m s ILE 18 N -1.08 1.80 0.42 3.12 -1.09 0.46 -0.40 121.20 124.42 1u1m s ILE 18 Ca 0.31 -1.79 0.02 0.00 -2.23 0.00 0.00 60.65 56.96 1u1m s ILE 18 Cb -0.20 -2.21 -0.01 0.00 -1.58 0.00 0.00 42.46 38.46 1u1m s ILE 18 CO 0.21 -0.42 0.61 -0.83 -1.23 0.00 0.00 174.94 173.29 1u1m s GLY 19 N 1.19 1.56 -1.30 6.18 0.00 -0.49 -0.82 107.32 113.64 1u1m s GLY 19 Ca 0.04 -1.15 -0.01 0.00 0.00 0.00 0.00 44.72 43.59 1u1m s GLY 19 CO -0.11 -1.01 0.16 0.61 0.00 0.00 0.00 173.10 172.76 1u1m n GLY 20 N -1.96 -0.27 3.77 0.20 0.00 -0.88 -0.86 105.19 105.20 1u1m n GLY 20 Ca 0.01 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1u1m n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1m s LEU 21 N -4.80 4.15 0.79 0.99 1.43 -0.78 -4.54 118.68 115.91 1u1m s LEU 21 Ca 0.08 2.50 -0.12 0.00 -1.03 0.00 0.00 54.13 55.56 1u1m s LEU 21 Cb -0.04 -4.02 0.07 0.00 0.03 0.00 0.00 46.19 42.23 1u1m s LEU 21 CO 0.10 -0.85 1.13 -0.55 0.23 0.00 0.00 176.35 176.41 1u1m s SER 22 N -0.99 4.10 0.54 2.29 0.15 -1.26 -4.64 113.70 113.89 1u1m s SER 22 Ca 0.59 2.05 0.27 0.00 0.70 0.00 0.00 55.95 59.56 1u1m s SER 22 Cb -0.34 -2.55 1.54 0.00 -1.71 0.00 0.00 66.02 62.96 1u1m s SER 22 CO 0.43 -2.31 2.12 2.19 1.20 0.00 0.00 173.24 176.87 1u1m h PHE 23 N -1.00 0.00 0.00 3.44 -5.15 -1.95 -2.62 116.94 109.65 1u1m h PHE 23 Ca -0.45 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.19 1u1m h PHE 23 Cb 1.26 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.41 1u1m h PHE 23 CO 0.53 0.09 -0.67 0.93 -2.00 0.00 0.00 178.31 177.19 1u1m h GLU 24 N 0.00 0.00 -6.66 6.09 5.08 -1.93 -3.46 114.58 113.70 1u1m h GLU 24 Ca -0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 1u1m h GLU 24 Cb 0.23 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.56 1u1m h GLU 24 CO 0.01 0.58 0.81 2.41 -1.00 0.00 0.00 179.01 181.82 1u1m n THR 25 N -3.22 0.64 -4.49 1.13 -1.04 -0.99 -4.98 114.28 101.33 1u1m n THR 25 Ca 0.01 -0.16 -0.23 0.00 -2.04 0.00 0.00 64.05 61.63 1u1m n THR 25 Cb 0.79 -1.74 -0.11 0.00 -1.82 0.00 0.00 70.33 67.45 1u1m n THR 25 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1u1m s THR 26 N 0.34 1.35 0.31 12.58 -4.23 -1.26 -4.96 115.64 119.77 1u1m s THR 26 Ca 0.70 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.28 1u1m s THR 26 Cb -0.58 -2.83 0.30 0.00 1.34 0.00 0.00 72.50 70.74 1u1m s THR 26 CO 0.44 0.00 1.71 0.44 -0.54 0.00 0.00 174.62 176.67 1u1m h ASP 27 N 2.03 0.51 0.15 3.99 5.19 -1.92 0.08 116.42 126.45 1u1m h ASP 27 Ca -0.41 0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.14 1u1m h ASP 27 Cb 1.24 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1u1m h ASP 27 CO 0.72 0.04 -0.07 -0.33 -3.12 0.00 0.00 179.24 176.48 1u1m h GLU 28 N 0.48 -0.20 -0.01 3.56 4.39 -1.95 -1.04 114.58 119.82 1u1m h GLU 28 Ca 0.61 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 60.25 1u1m h GLU 28 Cb 1.17 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1u1m h GLU 28 CO -0.51 0.06 -0.35 0.66 -1.16 0.00 0.00 179.01 177.72 1u1m h SER 29 N -0.45 0.02 0.30 1.42 4.64 -1.70 -0.66 113.55 117.13 1u1m h SER 29 Ca -0.02 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1u1m h SER 29 Cb 0.35 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1u1m h SER 29 CO 0.03 0.38 -0.14 0.25 -0.87 0.00 0.00 176.83 176.48 1u1m h LEU 30 N 0.02 -0.34 -0.34 5.97 5.85 -0.99 -2.89 115.31 122.59 1u1m h LEU 30 Ca -0.00 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.60 1u1m h LEU 30 Cb 0.63 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.67 1u1m h LEU 30 CO 0.05 0.09 -0.20 -0.09 -0.34 0.00 0.00 178.44 177.94 1u1m h ARG 31 N -0.85 -0.15 -1.00 1.25 2.43 -1.06 -1.53 114.38 113.47 1u1m h ARG 31 Ca -0.04 0.01 0.23 0.00 -0.81 0.00 0.00 59.98 59.37 1u1m h ARG 31 Cb 0.52 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.00 1u1m h ARG 31 CO 0.07 -0.10 0.63 1.03 -1.51 0.00 0.00 179.97 180.09 1u1m h SER 32 N -0.15 0.57 0.14 -3.80 0.87 -1.14 -0.08 113.55 109.95 1u1m h SER 32 Ca 0.17 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1u1m h SER 32 Cb 0.42 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1u1m h SER 32 CO -0.43 0.16 -0.07 -0.74 -0.53 0.00 0.00 176.83 175.22 1u1m h HIS 33 N 0.53 -0.17 0.00 2.24 -0.00 -1.08 -3.36 115.15 113.31 1u1m h HIS 33 Ca 0.58 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.94 1u1m h HIS 33 Cb 1.23 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.70 1u1m h HIS 33 CO -0.00 0.12 0.00 0.74 -0.00 0.00 0.00 177.93 178.78 1u1m h PHE 34 N -1.00 0.00 0.00 5.26 0.04 -1.23 -2.43 116.94 117.58 1u1m h PHE 34 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1u1m h PHE 34 Cb 0.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1u1m h PHE 34 CO 0.06 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 178.16 1u1m n GLU 35 N -2.37 0.17 0.00 1.51 1.02 -0.06 -2.04 120.64 118.87 1u1m n GLU 35 Ca 0.02 0.46 0.04 0.00 -0.02 0.00 0.00 57.16 57.66 1u1m n GLU 35 Cb 0.24 -1.86 0.18 0.00 -0.02 0.00 0.00 31.44 29.98 1u1m n GLU 35 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1u1m n GLN 36 N -2.18 0.00 -0.10 3.49 6.02 -0.92 -2.35 117.38 121.35 1u1m n GLN 36 Ca 0.01 0.35 0.05 0.00 -0.01 0.00 0.00 57.00 57.40 1u1m n GLN 36 Cb 0.18 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.00 1u1m n GLN 36 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1u1m n TRP 37 N -1.50 0.00 -0.18 1.08 8.01 -0.86 -5.11 117.44 118.88 1u1m n TRP 37 Ca 0.02 -0.63 0.00 0.00 -1.31 0.00 0.00 57.50 55.58 1u1m n TRP 37 Cb 0.10 -0.09 0.00 0.00 -2.01 0.00 0.00 31.31 29.31 1u1m n TRP 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1u1m n GLY 38 N -0.84 -0.57 3.65 6.99 0.00 -0.99 -4.71 105.19 108.73 1u1m n GLY 38 Ca 0.08 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 1u1m n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u1m s THR 39 N -1.52 4.77 -0.18 2.61 2.01 -1.26 -4.46 115.64 117.60 1u1m s THR 39 Ca 0.00 1.78 -0.18 0.00 0.31 0.00 0.00 61.69 63.60 1u1m s THR 39 Cb 0.00 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 1u1m s THR 39 CO 0.00 -0.10 0.50 -0.76 -0.69 0.00 0.00 174.62 173.56 1u1m s LEU 40 N 2.89 4.17 0.00 4.42 1.43 -1.26 -1.13 118.68 129.20 1u1m s LEU 40 Ca 0.40 0.69 0.23 0.00 -1.03 0.00 0.00 54.13 54.41 1u1m s LEU 40 Cb -0.15 -2.69 0.06 0.00 0.03 0.00 0.00 46.19 43.44 1u1m s LEU 40 CO 0.08 -0.13 1.11 0.35 0.23 0.00 0.00 176.35 177.98 1u1m n THR 41 N 4.35 0.00 -3.55 5.49 -2.24 0.20 -4.93 114.28 113.58 1u1m n THR 41 Ca -0.06 -0.04 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 1u1m n THR 41 Cb 0.51 0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 1u1m n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u1m s ASP 42 N -2.89 -0.56 -0.29 3.42 2.15 -1.16 -4.98 116.67 112.36 1u1m s ASP 42 Ca 0.11 0.67 -0.14 0.00 0.43 0.00 0.00 52.55 53.62 1u1m s ASP 42 Cb 0.17 0.54 0.14 0.00 -0.30 0.00 0.00 42.92 43.47 1u1m s ASP 42 CO 0.76 -0.47 0.84 0.00 -0.17 0.00 0.00 175.17 176.13 1u1m s VAL 44 N 2.17 0.00 -0.21 0.00 0.11 0.05 -4.90 120.40 117.61 1u1m s VAL 44 Ca -0.06 -0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 58.94 1u1m s VAL 44 Cb -0.07 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.77 1u1m s VAL 44 CO -0.18 -0.00 -0.02 -0.69 -3.33 0.00 0.00 175.10 170.88 1u1m s VAL 45 N -1.28 3.68 0.03 2.04 1.01 -1.26 -0.71 120.40 123.90 1u1m s VAL 45 Ca -0.11 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1u1m s VAL 45 Cb -0.00 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1u1m s VAL 45 CO 0.09 0.42 1.15 -0.04 0.00 0.00 0.00 175.10 176.72 1u1m s MET 46 N 1.26 4.44 0.31 2.72 -1.94 -0.82 -4.95 119.30 120.33 1u1m s MET 46 Ca 0.03 1.68 0.07 0.00 -1.71 0.00 0.00 55.69 55.76 1u1m s MET 46 Cb -0.14 -3.41 -0.06 0.00 2.01 0.00 0.00 34.83 33.22 1u1m s MET 46 CO -0.00 -0.25 -0.05 1.03 -0.01 0.00 0.00 175.02 175.74 1u1m s ARG 47 N 1.27 1.66 0.16 2.03 0.52 -1.26 -0.59 118.95 122.74 1u1m s ARG 47 Ca 0.57 -1.86 -0.30 0.00 -0.52 0.00 0.00 55.73 53.62 1u1m s ARG 47 Cb -0.27 -1.31 -0.07 0.00 0.52 0.00 0.00 34.95 33.82 1u1m s ARG 47 CO 0.27 0.04 1.16 0.34 0.02 0.00 0.00 175.30 177.14 1u1m s ASP 48 N -3.51 7.15 0.21 0.23 2.15 0.88 -4.85 116.67 118.92 1u1m s ASP 48 Ca 0.31 2.14 -0.13 0.00 0.43 0.00 0.00 52.55 55.30 1u1m s ASP 48 Cb 0.04 -2.60 0.25 0.00 -0.30 0.00 0.00 42.92 40.31 1u1m s ASP 48 CO 0.14 -0.34 1.64 -0.65 -0.17 0.00 0.00 175.17 175.78 1u1m h PRO 49 N 5.51 0.02 0.00 4.34 0.11 -1.95 0.15 132.00 140.18 1u1m h PRO 49 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1u1m h PRO 49 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u1m h PRO 49 CO 0.75 0.02 0.00 0.09 -0.21 0.00 0.00 178.00 178.65 1u1m n ASN 50 N -5.39 0.00 0.29 -2.05 4.13 -1.26 -4.24 115.26 106.74 1u1m n ASN 50 Ca 0.08 0.03 0.10 0.00 1.68 0.00 0.00 54.58 56.46 1u1m n ASN 50 Cb 0.33 -0.04 0.51 0.00 -1.54 0.00 0.00 39.78 39.05 1u1m n ASN 50 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1u1m h THR 51 N 0.00 0.00 -0.24 3.41 1.35 -2.00 -3.43 112.91 112.00 1u1m h THR 51 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.77 1u1m h THR 51 Cb 0.00 0.41 -0.03 0.00 -1.73 0.00 0.00 68.15 66.80 1u1m h THR 51 CO 0.00 0.00 -0.08 0.29 -0.25 0.00 0.00 175.52 175.48 1u1m n LYS 52 N -2.58 -1.87 -2.31 4.72 4.76 0.52 -4.92 118.16 116.47 1u1m n LYS 52 Ca -0.01 0.61 -0.33 0.00 -2.87 0.00 0.00 58.31 55.71 1u1m n LYS 52 Cb 0.52 -4.96 -0.02 0.00 -1.84 0.00 0.00 35.03 28.74 1u1m n LYS 52 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1u1m s ARG 53 N -2.24 3.69 0.40 1.97 3.00 -1.26 -4.52 118.95 119.99 1u1m s ARG 53 Ca 0.00 1.15 -0.26 0.00 -1.00 0.00 0.00 55.73 55.61 1u1m s ARG 53 Cb 0.00 -2.09 -0.09 0.00 0.00 0.00 0.00 34.95 32.77 1u1m s ARG 53 CO 0.00 -0.50 1.27 0.45 0.00 0.00 0.00 175.30 176.52 1u1m s SER 54 N -2.68 6.39 0.00 -2.12 0.15 -1.26 -0.09 113.70 114.10 1u1m s SER 54 Ca 0.63 2.59 0.18 0.00 0.70 0.00 0.00 55.95 60.05 1u1m s SER 54 Cb -0.13 -2.63 0.52 0.00 -1.71 0.00 0.00 66.02 62.06 1u1m s SER 54 CO 0.30 -0.79 1.42 0.54 1.20 0.00 0.00 173.24 175.91 1u1m n ARG 55 N 0.18 2.09 -1.84 5.44 1.74 0.25 -4.81 116.66 119.71 1u1m n ARG 55 Ca 0.03 -1.67 -0.06 0.00 -0.77 0.00 0.00 57.85 55.38 1u1m n ARG 55 Cb 0.44 -1.41 -0.01 0.00 -1.02 0.00 0.00 32.46 30.46 1u1m n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1m n GLY 56 N 1.28 0.33 3.45 -0.13 0.00 -1.26 -5.00 105.19 103.86 1u1m n GLY 56 Ca 0.17 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 1u1m n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u1m s PHE 57 N -2.28 -0.49 0.00 1.61 -0.12 -1.26 -1.87 117.98 113.57 1u1m s PHE 57 Ca 0.00 0.34 0.00 0.00 -0.05 0.00 0.00 56.93 57.22 1u1m s PHE 57 Cb 0.00 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 1u1m s PHE 57 CO 0.00 -0.74 0.00 0.41 -0.05 0.00 0.00 175.22 174.84 1u1m n GLY 58 N -0.26 2.42 3.06 1.99 0.00 -0.00 -1.95 105.19 110.45 1u1m n GLY 58 Ca -0.15 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 1u1m n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u1m s PHE 59 N -6.71 -0.04 -0.01 1.61 0.40 0.11 -0.40 117.98 112.94 1u1m s PHE 59 Ca 0.00 0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.45 1u1m s PHE 59 Cb 0.00 -0.01 -0.01 0.00 0.51 0.00 0.00 43.02 43.51 1u1m s PHE 59 CO 0.00 -0.18 -0.09 0.14 0.70 0.00 0.00 175.22 175.79 1u1m s VAL 60 N -0.68 0.73 -0.06 -0.44 -7.23 -0.92 -0.77 120.40 111.03 1u1m s VAL 60 Ca -0.08 -0.41 0.01 0.00 -1.81 0.00 0.00 61.98 59.70 1u1m s VAL 60 Cb -0.05 -0.62 0.02 0.00 0.56 0.00 0.00 36.38 36.30 1u1m s VAL 60 CO 0.01 0.20 -0.08 -0.89 -0.31 0.00 0.00 175.10 174.03 1u1m s THR 61 N -0.23 0.82 0.45 5.32 2.01 -0.24 -0.84 115.64 122.92 1u1m s THR 61 Ca 0.03 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 61.80 1u1m s THR 61 Cb -0.04 -0.80 0.01 0.00 0.01 0.00 0.00 72.50 71.69 1u1m s THR 61 CO -0.00 0.29 0.63 -0.31 -0.69 0.00 0.00 174.62 174.54 1u1m s TYR 62 N 0.91 2.96 -0.40 4.92 1.51 -0.21 0.58 117.35 127.62 1u1m s TYR 62 Ca -0.11 -0.12 0.27 0.00 -1.01 0.00 0.00 57.07 56.09 1u1m s TYR 62 Cb -0.15 -2.41 0.87 0.00 -0.11 0.00 0.00 41.96 40.16 1u1m s TYR 62 CO 0.01 -0.47 1.77 0.00 -1.11 0.00 0.00 175.55 175.75 1u1m h ALA 63 N 0.47 1.00 -2.59 3.71 0.00 -1.45 -3.42 119.26 116.98 1u1m h ALA 63 Ca -0.43 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1u1m h ALA 63 Cb 1.28 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.89 1u1m h ALA 63 CO 0.51 0.00 -0.38 0.95 0.00 0.00 0.00 179.25 180.33 1u1m s THR 64 N -3.31 0.10 0.34 0.00 -4.23 -1.26 -4.76 115.64 102.52 1u1m s THR 64 Ca 0.06 -0.81 0.14 0.00 -1.18 0.00 0.00 61.69 59.90 1u1m s THR 64 Cb 0.09 -0.82 0.10 0.00 1.34 0.00 0.00 72.50 73.20 1u1m s THR 64 CO 0.55 -0.45 1.81 0.58 -0.54 0.00 0.00 174.62 176.58 1u1m h VAL 65 N 3.58 1.20 -0.94 2.29 2.07 -1.88 -2.38 116.25 120.19 1u1m h VAL 65 Ca -0.32 -1.34 0.04 0.00 0.82 0.00 0.00 66.70 65.90 1u1m h VAL 65 Cb 1.19 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.64 1u1m h VAL 65 CO 0.46 0.38 0.61 -0.08 0.02 0.00 0.00 177.57 178.96 1u1m h GLU 66 N 0.00 1.14 -0.33 1.57 4.81 -1.95 0.16 114.58 119.98 1u1m h GLU 66 Ca -0.00 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.02 1u1m h GLU 66 Cb 0.71 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1u1m h GLU 66 CO 0.05 0.76 -0.36 0.93 -0.73 0.00 0.00 179.01 179.65 1u1m h GLU 67 N 1.18 0.77 -0.30 1.92 5.08 -1.72 -1.51 114.58 120.00 1u1m h GLU 67 Ca 0.38 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1u1m h GLU 67 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1u1m h GLU 67 CO -0.13 1.01 0.19 0.28 -1.00 0.00 0.00 179.01 179.36 1u1m h VAL 68 N 0.64 1.08 -0.67 3.13 2.07 -0.86 -0.55 116.25 121.09 1u1m h VAL 68 Ca 0.06 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1u1m h VAL 68 Cb 0.91 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1u1m h VAL 68 CO 0.08 0.08 0.39 0.44 0.02 0.00 0.00 177.57 178.58 1u1m h ASP 69 N 0.40 0.80 -0.28 0.57 3.32 -0.55 -0.51 116.42 120.17 1u1m h ASP 69 Ca 0.11 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1u1m h ASP 69 Cb -0.04 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1u1m h ASP 69 CO -0.02 0.62 0.10 0.00 -1.72 0.00 0.00 179.24 178.22 1u1m h ALA 70 N 1.52 0.37 -0.33 3.45 0.00 -0.65 0.04 119.26 123.65 1u1m h ALA 70 Ca 0.24 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1u1m h ALA 70 Cb -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1u1m h ALA 70 CO -0.04 -0.03 0.17 0.00 0.00 0.00 0.00 179.25 179.35 1u1m h ALA 71 N 0.94 0.41 -0.64 0.00 0.00 -0.38 -1.51 119.26 118.08 1u1m h ALA 71 Ca 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1u1m h ALA 71 Cb 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1u1m h ALA 71 CO -0.01 -0.20 0.23 0.52 0.00 0.00 0.00 179.25 179.79 1u1m h MET 72 N 0.35 0.96 0.00 0.00 2.07 -0.91 -0.84 114.93 116.56 1u1m h MET 72 Ca 0.14 -0.17 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1u1m h MET 72 Cb 0.04 -0.16 0.00 0.00 -1.87 0.00 0.00 31.60 29.61 1u1m h MET 72 CO -0.09 0.80 0.00 0.09 1.07 0.00 0.00 176.91 178.79 1u1m n ASN 73 N -4.29 0.63 -0.70 1.22 3.02 -0.02 -2.35 115.26 112.77 1u1m n ASN 73 Ca 0.05 0.68 0.07 0.00 -0.03 0.00 0.00 54.58 55.35 1u1m n ASN 73 Cb 0.19 -0.80 0.19 0.00 -0.61 0.00 0.00 39.78 38.75 1u1m n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u1m n ALA 74 N -1.77 2.45 -1.56 5.41 0.00 -0.32 -4.93 120.51 119.78 1u1m n ALA 74 Ca 0.02 -0.67 -0.34 0.00 0.00 0.00 0.00 53.44 52.45 1u1m n ALA 74 Cb 0.19 -0.98 0.05 0.00 0.00 0.00 0.00 19.45 18.71 1u1m n ALA 74 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u1m s ARG 75 N -1.51 2.77 0.47 0.00 0.52 -0.99 -4.42 118.95 115.78 1u1m s ARG 75 Ca 0.27 1.59 -0.19 0.00 -0.52 0.00 0.00 55.73 56.88 1u1m s ARG 75 Cb 0.14 -1.93 -0.09 0.00 0.52 0.00 0.00 34.95 33.59 1u1m s ARG 75 CO 0.19 -1.31 0.97 -1.25 0.02 0.00 0.00 175.30 173.92 1u1m s PRO 76 N -3.77 4.06 -0.20 3.54 0.04 -1.26 -5.13 135.00 132.28 1u1m s PRO 76 Ca 0.72 1.08 -0.05 0.00 0.04 0.00 0.00 61.00 62.78 1u1m s PRO 76 Cb -0.25 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 1u1m s PRO 76 CO 0.38 -0.18 0.00 -1.01 0.04 0.00 0.00 177.00 176.24 1u1m s HIS 77 N -2.35 3.06 -0.22 0.56 3.76 -1.26 -5.07 115.29 113.78 1u1m s HIS 77 Ca 0.61 -0.38 -0.03 0.00 -0.15 0.00 0.00 55.06 55.11 1u1m s HIS 77 Cb -0.10 -2.07 -0.00 0.00 1.11 0.00 0.00 32.58 31.51 1u1m s HIS 77 CO 0.21 -0.18 -0.06 0.21 -0.85 0.00 0.00 174.74 174.07 1u1m s LYS 78 N 0.89 3.30 -0.14 1.40 2.20 -1.26 -0.82 119.74 125.30 1u1m s LYS 78 Ca 0.01 -0.67 0.02 0.00 -0.36 0.00 0.00 55.97 54.97 1u1m s LYS 78 Cb -0.14 -2.95 0.01 0.00 -1.51 0.00 0.00 37.83 33.24 1u1m s LYS 78 CO 0.02 -0.21 -0.19 0.08 -0.36 0.00 0.00 175.35 174.69 1u1m s VAL 79 N 1.45 1.85 -1.43 4.02 1.01 0.02 -4.69 120.40 122.63 1u1m s VAL 79 Ca 0.05 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 1u1m s VAL 79 Cb -0.14 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.61 1u1m s VAL 79 CO -0.05 0.51 1.10 0.47 0.00 0.00 0.00 175.10 177.14 1u1m n ASP 80 N 4.28 -5.71 0.00 3.32 8.00 -1.26 -2.25 116.55 122.93 1u1m n ASP 80 Ca -0.19 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.67 1u1m n ASP 80 Cb 0.51 -4.57 0.00 0.00 -0.02 0.00 0.00 41.12 37.04 1u1m n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u1m n GLY 81 N -1.88 0.56 3.20 0.44 0.00 -1.26 -4.92 105.19 101.33 1u1m n GLY 81 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1u1m n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1u1m s ARG 82 N -0.34 2.44 -0.15 1.61 6.06 -0.95 -5.09 118.95 122.52 1u1m s ARG 82 Ca 0.00 -0.79 -0.29 0.00 -2.50 0.00 0.00 55.73 52.15 1u1m s ARG 82 Cb 0.00 -2.00 -0.02 0.00 0.06 0.00 0.00 34.95 33.00 1u1m s ARG 82 CO 0.00 0.26 1.24 0.08 -2.50 0.00 0.00 175.30 174.38 1u1m s VAL 83 N 0.09 4.31 0.43 7.11 1.01 -1.26 -0.80 120.40 131.29 1u1m s VAL 83 Ca -0.09 1.59 0.05 0.00 0.00 0.00 0.00 61.98 63.53 1u1m s VAL 83 Cb -0.15 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1u1m s VAL 83 CO 0.05 -0.12 0.61 0.68 0.00 0.00 0.00 175.10 176.32 1u1m s VAL 84 N 3.26 3.36 -0.41 2.92 -7.23 -0.00 -4.89 120.40 117.40 1u1m s VAL 84 Ca 0.54 -0.85 0.04 0.00 -1.81 0.00 0.00 61.98 59.90 1u1m s VAL 84 Cb -0.22 -3.18 0.11 0.00 0.56 0.00 0.00 36.38 33.66 1u1m s VAL 84 CO 0.15 -0.09 0.14 -0.70 -0.31 0.00 0.00 175.10 174.29 1u1m s GLU 85 N -4.43 1.60 0.16 4.82 2.12 -0.04 -4.49 118.70 118.45 1u1m s GLU 85 Ca 0.52 -2.11 -0.30 0.00 0.36 0.00 0.00 54.97 53.44 1u1m s GLU 85 Cb -0.10 -3.12 -0.07 0.00 0.26 0.00 0.00 34.13 31.10 1u1m s GLU 85 CO 0.34 -1.02 0.97 -2.14 -0.54 0.00 0.00 175.26 172.88 1u1m s PRO 86 N 0.48 4.73 0.02 4.30 0.02 -1.26 -1.39 135.00 141.90 1u1m s PRO 86 Ca 0.13 1.50 -0.05 0.00 0.02 0.00 0.00 61.00 62.60 1u1m s PRO 86 Cb -0.22 -3.34 -0.01 0.00 0.02 0.00 0.00 34.50 30.96 1u1m s PRO 86 CO -0.06 0.29 0.08 0.15 -0.33 0.00 0.00 177.00 177.13 1u1m s LYS 87 N -0.40 0.49 0.22 5.54 1.02 0.46 -4.97 119.74 122.10 1u1m s LYS 87 Ca 0.45 -0.59 -0.32 0.00 0.02 0.00 0.00 55.97 55.53 1u1m s LYS 87 Cb -0.25 0.19 -0.13 0.00 -0.52 0.00 0.00 37.83 37.13 1u1m s LYS 87 CO 0.31 -0.11 1.61 0.54 -0.92 0.00 0.00 175.35 176.78 1u1m n ARG 88 N 1.20 2.48 -2.06 1.68 5.12 -1.26 0.34 116.66 124.15 1u1m n ARG 88 Ca -0.21 0.89 -0.42 0.00 -1.93 0.00 0.00 57.85 56.17 1u1m n ARG 88 Cb 0.57 -2.67 -0.03 0.00 -1.16 0.00 0.00 32.46 29.17 1u1m n ARG 88 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1u1m s ALA 89 N 0.64 3.64 -0.18 7.54 0.00 -0.72 -4.58 121.76 128.11 1u1m s ALA 89 Ca 0.72 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 53.58 1u1m s ALA 89 Cb -0.57 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 18.85 1u1m s ALA 89 CO 0.40 -1.05 0.34 0.08 0.00 0.00 0.00 175.76 175.53 1u1m s VAL 90 N 2.68 5.26 0.71 0.00 1.01 -1.26 -4.90 120.40 123.89 1u1m s VAL 90 Ca 0.69 0.62 -0.16 0.00 0.00 0.00 0.00 61.98 63.13 1u1m s VAL 90 Cb -0.36 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1u1m s VAL 90 CO 0.29 0.33 0.68 -1.54 0.00 0.00 0.00 175.10 174.87 1u1m n SER 91 N 3.94 -0.61 -0.29 3.32 3.41 -1.26 -4.61 113.62 117.52 1u1m n SER 91 Ca -0.10 0.63 0.06 0.00 -0.26 0.00 0.00 58.87 59.20 1u1m n SER 91 Cb 0.52 -1.28 0.28 0.00 -0.26 0.00 0.00 64.21 63.46 1u1m n SER 91 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1u1m h ARG 92 N -0.28 0.91 0.48 4.33 3.08 -1.98 0.25 114.38 121.17 1u1m h ARG 92 Ca -0.46 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.51 1u1m h ARG 92 Cb 1.35 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1u1m h ARG 92 CO 0.44 0.60 -0.23 1.49 -1.07 0.00 0.00 179.97 181.21 1u1m h GLU 93 N 0.94 -0.62 0.00 0.04 4.81 -2.03 -2.91 114.58 114.81 1u1m h GLU 93 Ca 0.41 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.64 1u1m h GLU 93 Cb 0.34 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1u1m h GLU 93 CO -0.17 -0.36 -0.18 -0.44 -0.73 0.00 0.00 179.01 177.13 1u1m h ASP 94 N -0.76 0.00 0.00 1.04 3.32 -1.78 -2.53 116.42 115.71 1u1m h ASP 94 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1u1m h ASP 94 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1u1m h ASP 94 CO 0.11 0.18 0.03 0.28 -1.72 0.00 0.00 179.24 178.12 1u1m h SER 95 N 0.00 0.00 0.04 6.45 0.02 -0.30 -1.31 113.55 118.46 1u1m h SER 95 Ca -0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1u1m h SER 95 Cb 0.45 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.01 1u1m h SER 95 CO 0.02 0.00 -0.94 1.56 -1.14 0.00 0.00 176.83 176.34 1u1m h GLN 96 N 0.00 0.56 -6.54 3.45 1.08 -1.50 -3.46 115.11 108.70 1u1m h GLN 96 Ca 0.00 -0.66 -0.60 0.00 -1.45 0.00 0.00 58.65 55.94 1u1m h GLN 96 Cb 0.06 0.20 0.10 0.00 -0.05 0.00 0.00 27.48 27.80 1u1m h GLN 96 CO 0.00 1.27 0.29 0.54 -0.95 0.00 0.00 178.83 179.97 1u1m n ARG 97 N -3.98 1.60 -1.83 1.46 5.12 -0.49 -4.88 116.66 113.66 1u1m n ARG 97 Ca -0.12 0.56 -0.41 0.00 -1.93 0.00 0.00 57.85 55.95 1u1m n ARG 97 Cb 0.84 -2.03 -0.01 0.00 -1.16 0.00 0.00 32.46 30.10 1u1m n ARG 97 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1u1m s PRO 98 N -1.42 4.15 0.00 5.56 0.02 -1.26 -2.41 135.00 139.64 1u1m s PRO 98 Ca 0.60 2.53 0.00 0.00 0.02 0.00 0.00 61.00 64.15 1u1m s PRO 98 Cb -0.68 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 30.84 1u1m s PRO 98 CO 0.59 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 177.13 1u1m n GLY 99 N 1.29 0.65 0.50 0.52 0.00 -1.26 -4.89 105.19 102.00 1u1m n GLY 99 Ca 0.04 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.38 1u1m n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1m h ALA 100 N 0.00 2.88 -0.41 4.61 0.00 -1.77 -0.27 119.26 124.30 1u1m h ALA 100 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u1m h ALA 100 Cb 0.03 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1u1m h ALA 100 CO 0.00 -1.25 0.00 0.72 0.00 0.00 0.00 179.25 178.72 1u1m n HIS 101 N -4.32 0.54 -2.08 0.00 8.25 -1.26 -4.99 115.22 111.35 1u1m n HIS 101 Ca 0.26 -0.29 -0.37 0.00 -0.26 0.00 0.00 57.72 57.06 1u1m n HIS 101 Cb 1.17 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.29 1u1m n HIS 101 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1u1m s LEU 102 N -1.36 3.86 -0.62 2.41 1.43 -0.11 -4.96 118.68 119.33 1u1m s LEU 102 Ca 0.38 2.43 -0.20 0.00 -1.03 0.00 0.00 54.13 55.70 1u1m s LEU 102 Cb 0.22 -4.38 0.09 0.00 0.03 0.00 0.00 46.19 42.15 1u1m s LEU 102 CO 0.30 -1.28 0.79 -0.89 0.23 0.00 0.00 176.35 175.49 1u1m s THR 103 N -1.52 4.66 0.12 5.49 2.01 -1.26 -5.01 115.64 120.13 1u1m s THR 103 Ca 0.70 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.96 1u1m s THR 103 Cb -0.31 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.60 1u1m s THR 103 CO 0.37 -1.24 -0.14 0.68 -0.69 0.00 0.00 174.62 173.60 1u1m s VAL 104 N 3.13 1.32 -1.62 3.82 -7.23 -1.26 -5.05 120.40 113.50 1u1m s VAL 104 Ca 0.15 -1.71 0.14 0.00 -1.81 0.00 0.00 61.98 58.75 1u1m s VAL 104 Cb -0.22 -1.52 0.07 0.00 0.56 0.00 0.00 36.38 35.27 1u1m s VAL 104 CO 0.07 -0.42 0.89 0.29 -0.31 0.00 0.00 175.10 175.63 1u1m n LYS 105 N 0.54 1.35 -5.18 4.82 5.02 -1.26 -4.46 118.16 119.00 1u1m n LYS 105 Ca -0.16 -1.13 -0.31 0.00 -2.02 0.00 0.00 58.31 54.69 1u1m n LYS 105 Cb 0.57 -1.25 -0.15 0.00 -0.02 0.00 0.00 35.03 34.18 1u1m n LYS 105 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1u1m s LYS 106 N -1.41 2.19 0.08 1.97 2.20 -1.26 0.59 119.74 124.10 1u1m s LYS 106 Ca 0.15 -0.88 0.08 0.00 -0.36 0.00 0.00 55.97 54.96 1u1m s LYS 106 Cb 0.12 -2.12 -0.04 0.00 -1.51 0.00 0.00 37.83 34.28 1u1m s LYS 106 CO 0.25 0.57 -0.17 0.96 -0.36 0.00 0.00 175.35 176.60 1u1m s ILE 107 N -0.65 2.90 -0.22 5.43 -4.36 0.40 -1.29 121.20 123.41 1u1m s ILE 107 Ca 0.11 -1.30 -0.14 0.00 -0.26 0.00 0.00 60.65 59.06 1u1m s ILE 107 Cb -0.10 -2.28 -0.04 0.00 1.25 0.00 0.00 42.46 41.28 1u1m s ILE 107 CO -0.00 0.22 0.29 0.12 0.24 0.00 0.00 174.94 175.81 1u1m s PHE 108 N -1.04 3.34 -0.31 1.37 5.36 0.28 -1.80 117.98 125.18 1u1m s PHE 108 Ca 0.17 0.44 -0.02 0.00 -0.96 0.00 0.00 56.93 56.56 1u1m s PHE 108 Cb -0.11 -2.42 0.06 0.00 -0.34 0.00 0.00 43.02 40.21 1u1m s PHE 108 CO 0.08 0.01 0.02 0.08 -1.46 0.00 0.00 175.22 173.96 1u1m s VAL 109 N 1.23 3.02 0.07 3.12 1.01 0.36 -1.33 120.40 127.87 1u1m s VAL 109 Ca 0.14 -1.46 0.07 0.00 0.00 0.00 0.00 61.98 60.72 1u1m s VAL 109 Cb -0.14 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1u1m s VAL 109 CO 0.06 -0.17 -0.12 -0.83 0.00 0.00 0.00 175.10 174.04 1u1m s GLY 110 N 1.30 1.72 0.00 4.51 0.00 0.28 -0.28 107.32 114.86 1u1m s GLY 110 Ca -0.04 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.48 1u1m s GLY 110 CO -0.01 -1.13 0.00 0.61 0.00 0.00 0.00 173.10 172.56 1u1m n GLY 111 N 1.08 1.15 3.78 0.20 0.00 -0.71 -0.97 105.19 109.73 1u1m n GLY 111 Ca -0.15 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 1u1m n GLY 111 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u1m s ILE 112 N -2.00 4.69 0.47 -0.61 -4.36 -0.95 -4.79 121.20 113.64 1u1m s ILE 112 Ca 0.00 1.43 -0.23 0.00 -0.26 0.00 0.00 60.65 61.59 1u1m s ILE 112 Cb 0.00 -4.01 -0.09 0.00 1.25 0.00 0.00 42.46 39.61 1u1m s ILE 112 CO 0.00 0.48 1.05 0.29 0.24 0.00 0.00 174.94 177.00 1u1m n LYS 113 N 2.15 1.36 0.03 0.37 5.02 -1.26 -4.55 118.16 121.28 1u1m n LYS 113 Ca -0.07 0.49 0.16 0.00 -2.02 0.00 0.00 58.31 56.88 1u1m n LYS 113 Cb 0.50 -2.14 0.64 0.00 -0.02 0.00 0.00 35.03 34.01 1u1m n LYS 113 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1u1m h GLU 114 N 1.39 0.08 -0.62 1.97 4.11 -1.97 0.51 114.58 120.06 1u1m h GLU 114 Ca -0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1u1m h GLU 114 Cb 1.34 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1u1m h GLU 114 CO 0.56 0.06 0.00 -0.40 0.07 0.00 0.00 179.01 179.29 1u1m n ASP 115 N -4.43 1.93 -4.73 3.06 5.75 -1.26 -4.89 116.55 111.97 1u1m n ASP 115 Ca 0.07 -2.17 -0.41 0.00 -0.01 0.00 0.00 54.79 52.27 1u1m n ASP 115 Cb 0.46 -0.40 -0.03 0.00 -1.03 0.00 0.00 41.12 40.12 1u1m n ASP 115 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1u1m s THR 116 N -1.59 3.55 0.28 2.12 2.01 0.17 -5.03 115.64 117.14 1u1m s THR 116 Ca 0.16 1.23 0.11 0.00 0.31 0.00 0.00 61.69 63.50 1u1m s THR 116 Cb 0.11 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1u1m s THR 116 CO 0.07 0.16 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.38 1u1m s GLU 117 N 0.19 1.64 0.33 4.92 2.02 -1.26 -5.05 118.70 121.49 1u1m s GLU 117 Ca 0.56 -1.77 0.06 0.00 0.02 0.00 0.00 54.97 53.85 1u1m s GLU 117 Cb -0.33 -1.64 0.73 0.00 0.10 0.00 0.00 34.13 33.00 1u1m s GLU 117 CO 0.35 0.27 1.84 0.93 0.02 0.00 0.00 175.26 178.67 1u1m h GLU 118 N 2.28 0.76 -0.22 1.61 5.08 -1.99 0.74 114.58 122.85 1u1m h GLU 118 Ca -0.40 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 57.96 1u1m h GLU 118 Cb 1.25 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1u1m h GLU 118 CO 0.62 0.51 0.16 1.12 -1.00 0.00 0.00 179.01 180.41 1u1m h HIS 119 N 0.79 0.10 -0.30 4.33 2.07 -1.99 -0.82 115.15 119.34 1u1m h HIS 119 Ca 0.49 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.00 1u1m h HIS 119 Cb 0.71 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 30.64 1u1m h HIS 119 CO -0.00 0.06 0.15 0.45 -3.07 0.00 0.00 177.93 175.52 1u1m h HIS 120 N 0.11 0.41 -0.63 6.12 3.86 -1.25 -0.91 115.15 122.86 1u1m h HIS 120 Ca 0.10 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.22 1u1m h HIS 120 Cb 0.27 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 1u1m h HIS 120 CO -0.00 0.35 0.10 -0.07 0.86 0.00 0.00 177.93 179.18 1u1m h LEU 121 N 0.35 0.97 -0.46 2.43 3.38 -1.17 -3.03 115.31 117.78 1u1m h LEU 121 Ca 0.10 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1u1m h LEU 121 Cb 0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1u1m h LEU 121 CO -0.02 0.96 0.07 0.03 0.09 0.00 0.00 178.44 179.57 1u1m h ARG 122 N 0.96 0.77 -0.24 1.13 3.08 -0.95 0.02 114.38 119.13 1u1m h ARG 122 Ca 0.19 -0.21 0.07 0.00 0.07 0.00 0.00 59.98 60.10 1u1m h ARG 122 Cb 0.41 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1u1m h ARG 122 CO 0.01 0.79 0.20 -0.44 -1.07 0.00 0.00 179.97 179.46 1u1m h ASP 123 N 0.63 0.00 0.02 7.04 5.19 -1.05 -1.01 116.42 127.24 1u1m h ASP 123 Ca 0.14 0.00 -0.40 0.00 -0.62 0.00 0.00 57.03 56.15 1u1m h ASP 123 Cb 0.40 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.85 1u1m h ASP 123 CO 0.01 0.00 -2.31 0.00 -3.12 0.00 0.00 179.24 173.83 1u1m n TYR 124 N -4.22 0.28 0.10 4.55 9.36 -1.08 -4.69 117.16 121.44 1u1m n TYR 124 Ca 0.03 0.09 -0.01 0.00 3.32 0.00 0.00 57.90 61.32 1u1m n TYR 124 Cb 0.35 -1.03 -0.04 0.00 -0.63 0.00 0.00 39.34 37.98 1u1m n TYR 124 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1u1m h PHE 125 N -0.51 0.00 -0.48 2.98 0.04 -0.90 -3.35 116.94 114.73 1u1m h PHE 125 Ca -0.58 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.32 1u1m h PHE 125 Cb 1.73 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.86 1u1m h PHE 125 CO -0.00 0.70 0.34 0.93 -0.60 0.00 0.00 178.31 179.68 1u1m h GLU 126 N 0.00 0.02 0.00 1.51 5.08 -1.38 0.30 114.58 120.11 1u1m h GLU 126 Ca -0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1u1m h GLU 126 Cb 1.56 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1u1m h GLU 126 CO 0.09 0.01 0.00 -0.56 -1.00 0.00 0.00 179.01 177.55 1u1m h GLN 127 N 0.02 0.00 0.00 2.33 3.07 -1.81 -2.09 115.11 116.63 1u1m h GLN 127 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.97 1u1m h GLN 127 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.44 1u1m h GLN 127 CO -0.01 0.00 -1.08 0.66 0.09 0.00 0.00 178.83 178.49 1u1m n TYR 128 N -2.35 0.15 0.00 0.06 4.02 0.09 -5.06 117.16 114.08 1u1m n TYR 128 Ca -0.01 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 1u1m n TYR 128 Cb 0.07 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.06 1u1m n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u1m n GLY 129 N 1.40 2.16 3.68 2.72 0.00 -0.79 -4.48 105.19 109.88 1u1m n GLY 129 Ca 0.02 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 1u1m n GLY 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u1m s LYS 130 N -1.97 4.14 -0.07 1.61 2.47 -1.26 -4.57 119.74 120.09 1u1m s LYS 130 Ca 0.00 2.60 -0.19 0.00 -1.56 0.00 0.00 55.97 56.82 1u1m s LYS 130 Cb 0.00 -3.77 -0.05 0.00 -1.46 0.00 0.00 37.83 32.55 1u1m s LYS 130 CO 0.00 -0.88 0.53 0.42 0.16 0.00 0.00 175.35 175.58 1u1m s ILE 131 N 3.29 5.08 -0.26 5.43 1.01 -1.26 -2.03 121.20 132.46 1u1m s ILE 131 Ca 0.83 1.09 -0.05 0.00 0.00 0.00 0.00 60.65 62.52 1u1m s ILE 131 Cb -0.45 -3.87 -0.16 0.00 0.01 0.00 0.00 42.46 38.00 1u1m s ILE 131 CO 0.38 0.36 -0.23 -0.62 0.00 0.00 0.00 174.94 174.83 1u1m n GLU 132 N 3.27 0.63 -3.81 2.79 -0.58 0.21 -4.92 120.64 118.22 1u1m n GLU 132 Ca -0.07 0.21 -0.12 0.00 -0.42 0.00 0.00 57.16 56.76 1u1m n GLU 132 Cb 0.51 -1.53 -0.12 0.00 -0.57 0.00 0.00 31.44 29.74 1u1m n GLU 132 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1u1m s VAL 133 N -2.51 0.00 -0.09 2.62 1.01 -0.93 -4.97 120.40 115.53 1u1m s VAL 133 Ca -0.36 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1u1m s VAL 133 Cb 0.11 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.25 1u1m s VAL 133 CO 0.57 -0.02 -0.14 -0.63 0.00 0.00 0.00 175.10 174.88 1u1m s ILE 134 N 0.02 1.34 -0.25 2.22 1.01 -1.26 0.40 121.20 124.69 1u1m s ILE 134 Ca -0.01 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 1u1m s ILE 134 Cb -0.02 -1.23 0.08 0.00 0.01 0.00 0.00 42.46 41.31 1u1m s ILE 134 CO 0.00 0.41 0.06 -1.61 0.00 0.00 0.00 174.94 173.80 1u1m s GLU 135 N 0.84 0.71 -0.36 2.79 2.02 0.43 -5.00 118.70 120.13 1u1m s GLU 135 Ca -0.10 -0.74 -0.23 0.00 0.02 0.00 0.00 54.97 53.92 1u1m s GLU 135 Cb -0.15 -2.03 0.01 0.00 0.10 0.00 0.00 34.13 32.06 1u1m s GLU 135 CO 0.01 -0.81 0.79 0.42 0.02 0.00 0.00 175.26 175.69 1u1m s ILE 136 N 1.74 4.73 0.28 -1.63 1.01 -1.26 -1.20 121.20 124.87 1u1m s ILE 136 Ca 0.04 0.90 -0.29 0.00 0.00 0.00 0.00 60.65 61.29 1u1m s ILE 136 Cb -0.17 -4.21 -0.10 0.00 0.01 0.00 0.00 42.46 37.99 1u1m s ILE 136 CO -0.17 -0.43 1.14 -0.04 0.00 0.00 0.00 174.94 175.44 1u1m s MET 137 N 3.10 4.59 0.09 2.79 -1.94 -0.63 -5.01 119.30 122.29 1u1m s MET 137 Ca 0.31 1.87 -0.02 0.00 -1.71 0.00 0.00 55.69 56.14 1u1m s MET 137 Cb -0.13 -3.18 -0.03 0.00 2.01 0.00 0.00 34.83 33.50 1u1m s MET 137 CO 0.17 0.13 0.04 0.95 -0.01 0.00 0.00 175.02 176.30 1u1m s THR 138 N -1.06 0.16 -0.13 2.05 -4.23 -1.26 -1.73 115.64 109.43 1u1m s THR 138 Ca 0.46 -1.77 -0.29 0.00 -1.18 0.00 0.00 61.69 58.91 1u1m s THR 138 Cb -0.33 -1.72 -0.02 0.00 1.34 0.00 0.00 72.50 71.78 1u1m s THR 138 CO 0.42 -0.73 1.19 -0.62 -0.54 0.00 0.00 174.62 174.34 1u1m s ASP 139 N -2.97 7.03 -1.30 3.99 -1.08 0.43 -4.86 116.67 117.91 1u1m s ASP 139 Ca 0.14 1.68 -0.17 0.00 -0.52 0.00 0.00 52.55 53.67 1u1m s ASP 139 Cb 0.07 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 39.00 1u1m s ASP 139 CO -0.05 -0.66 2.00 0.54 0.52 0.00 0.00 175.17 177.52 1u1m n ARG 140 N 5.96 2.71 0.00 4.34 1.74 -1.26 -0.48 116.66 129.66 1u1m n ARG 140 Ca 0.12 -2.73 0.00 0.00 -0.77 0.00 0.00 57.85 54.47 1u1m n ARG 140 Cb 0.46 -3.35 0.00 0.00 -1.02 0.00 0.00 32.46 28.55 1u1m n ARG 140 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1m n GLY 141 N 4.73 -0.99 0.07 -0.13 0.00 -1.26 -4.91 105.19 102.69 1u1m n GLY 141 Ca 0.50 0.35 0.06 0.00 0.00 0.00 0.00 46.02 46.93 1u1m n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u1m n SER 142 N 0.00 0.45 0.00 1.61 3.41 -1.21 -4.96 113.62 112.92 1u1m n SER 142 Ca 0.00 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1u1m n SER 142 Cb 0.00 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 1u1m n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u1m n GLY 143 N 1.33 0.57 3.76 5.00 0.00 0.36 -4.99 105.19 111.22 1u1m n GLY 143 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1u1m n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1m s LYS 144 N -0.23 4.43 0.32 1.61 -0.14 -1.26 -4.60 119.74 119.88 1u1m s LYS 144 Ca 0.00 2.08 -0.29 0.00 -1.36 0.00 0.00 55.97 56.40 1u1m s LYS 144 Cb 0.00 -3.13 -0.10 0.00 -1.68 0.00 0.00 37.83 32.91 1u1m s LYS 144 CO 0.00 -0.11 1.37 0.15 -0.76 0.00 0.00 175.35 176.00 1u1m s LYS 145 N -1.24 4.29 0.00 1.68 -0.14 -1.26 -0.43 119.74 122.64 1u1m s LYS 145 Ca 0.50 2.31 0.24 0.00 -1.36 0.00 0.00 55.97 57.66 1u1m s LYS 145 Cb -0.37 -3.06 0.27 0.00 -1.68 0.00 0.00 37.83 32.99 1u1m s LYS 145 CO 0.46 -0.31 1.28 0.54 -0.76 0.00 0.00 175.35 176.56 1u1m n ARG 146 N 1.05 1.54 -1.16 1.68 1.74 -0.71 -4.84 116.66 115.96 1u1m n ARG 146 Ca 0.02 -1.20 0.00 0.00 -0.77 0.00 0.00 57.85 55.89 1u1m n ARG 146 Cb 0.41 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1u1m n ARG 146 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1m n GLY 147 N 1.36 0.45 3.40 -0.13 0.00 -1.26 -5.00 105.19 104.02 1u1m n GLY 147 Ca 0.12 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1u1m n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u1m s PHE 148 N -2.00 -0.45 0.26 1.61 -0.12 -1.26 -1.73 117.98 114.29 1u1m s PHE 148 Ca 0.00 0.41 0.01 0.00 -0.05 0.00 0.00 56.93 57.30 1u1m s PHE 148 Cb 0.00 0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 1u1m s PHE 148 CO 0.00 -0.71 0.13 0.00 -0.05 0.00 0.00 175.22 174.59 1u1m s ALA 149 N -2.89 1.66 -0.05 1.99 0.00 0.62 -1.61 121.76 121.48 1u1m s ALA 149 Ca -0.03 -1.80 0.03 0.00 0.00 0.00 0.00 51.96 50.16 1u1m s ALA 149 Cb -0.00 1.18 0.01 0.00 0.00 0.00 0.00 23.12 24.30 1u1m s ALA 149 CO -0.05 -0.51 -0.13 -0.06 0.00 0.00 0.00 175.76 175.00 1u1m s PHE 150 N -3.81 1.45 -0.09 0.00 0.08 -0.34 -0.49 117.98 114.79 1u1m s PHE 150 Ca 0.38 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.98 1u1m s PHE 150 Cb 0.07 -1.03 0.01 0.00 -0.57 0.00 0.00 43.02 41.50 1u1m s PHE 150 CO 0.15 -0.21 -0.15 0.08 -0.10 0.00 0.00 175.22 174.99 1u1m s VAL 151 N 0.36 1.43 -0.14 -0.44 1.01 -0.74 -0.43 120.40 121.44 1u1m s VAL 151 Ca -0.09 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1u1m s VAL 151 Cb -0.13 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1u1m s VAL 151 CO 0.03 0.42 -0.07 -0.89 0.00 0.00 0.00 175.10 174.59 1u1m s THR 152 N 0.78 3.60 0.50 3.92 2.01 0.16 -0.45 115.64 126.17 1u1m s THR 152 Ca -0.11 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 61.49 1u1m s THR 152 Cb -0.16 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.83 1u1m s THR 152 CO 0.02 0.51 0.44 -0.36 -0.69 0.00 0.00 174.62 174.54 1u1m s PHE 153 N 0.24 1.98 -0.00 4.92 0.40 0.20 0.63 117.98 126.35 1u1m s PHE 153 Ca -0.05 -0.70 0.11 0.00 -0.60 0.00 0.00 56.93 55.69 1u1m s PHE 153 Cb -0.14 -2.04 -0.23 0.00 0.51 0.00 0.00 43.02 41.12 1u1m s PHE 153 CO 0.04 -0.43 0.83 0.22 0.70 0.00 0.00 175.22 176.58 1u1m h ASP 154 N 0.79 0.00 -3.58 1.36 -0.00 -1.70 -3.43 116.42 109.86 1u1m h ASP 154 Ca -0.38 -0.00 -0.68 0.00 -0.00 0.00 0.00 57.03 55.97 1u1m h ASP 154 Cb 1.29 -0.00 -0.32 0.00 -0.00 0.00 0.00 39.33 40.30 1u1m h ASP 154 CO 0.56 1.00 -0.88 -0.62 -0.00 0.00 0.00 179.24 179.30 1u1m s ASP 155 N -6.26 3.14 0.55 2.28 -1.08 -1.26 -5.01 116.67 109.03 1u1m s ASP 155 Ca -0.03 -0.53 0.27 0.00 -0.52 0.00 0.00 52.55 51.74 1u1m s ASP 155 Cb 0.08 -1.21 1.59 0.00 -1.46 0.00 0.00 42.92 41.92 1u1m s ASP 155 CO 0.82 0.19 2.16 1.12 0.52 0.00 0.00 175.17 179.98 1u1m h HIS 156 N 6.47 0.00 0.00 -5.34 2.07 -1.90 -1.64 115.15 114.81 1u1m h HIS 156 Ca -0.24 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.24 1u1m h HIS 156 Cb 1.22 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.19 1u1m h HIS 156 CO 0.46 0.07 -0.19 0.22 -3.07 0.00 0.00 177.93 175.42 1u1m h ASP 157 N 0.00 0.00 -0.29 3.10 3.58 -1.95 -1.33 116.42 119.53 1u1m h ASP 157 Ca -0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1u1m h ASP 157 Cb 0.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1u1m h ASP 157 CO 0.01 0.19 0.07 0.28 -2.88 0.00 0.00 179.24 176.90 1u1m h SER 158 N 0.00 0.44 -0.52 2.28 0.02 -1.52 0.20 113.55 114.45 1u1m h SER 158 Ca -0.00 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1u1m h SER 158 Cb 0.49 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1u1m h SER 158 CO 0.02 0.56 0.26 0.58 -1.14 0.00 0.00 176.83 177.11 1u1m h VAL 159 N 0.31 1.19 -0.42 2.27 2.07 -1.52 -1.96 116.25 118.20 1u1m h VAL 159 Ca 0.09 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1u1m h VAL 159 Cb 0.29 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1u1m h VAL 159 CO 0.00 0.22 0.14 0.44 0.02 0.00 0.00 177.57 178.39 1u1m h ASP 160 N 0.70 0.60 0.01 0.57 3.32 -0.98 -0.32 116.42 120.32 1u1m h ASP 160 Ca 0.18 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1u1m h ASP 160 Cb 0.10 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1u1m h ASP 160 CO -0.02 0.63 -0.01 0.11 -1.72 0.00 0.00 179.24 178.23 1u1m h LYS 161 N 0.53 0.00 0.00 3.56 1.57 -0.43 -2.82 116.57 118.98 1u1m h LYS 161 Ca 0.14 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1u1m h LYS 161 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1u1m h LYS 161 CO -0.01 0.01 -0.00 0.82 -0.57 0.00 0.00 179.45 179.70 1u1m h ILE 162 N 0.00 0.78 0.00 1.86 2.04 -0.88 -3.37 117.51 117.93 1u1m h ILE 162 Ca -0.00 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.28 1u1m h ILE 162 Cb 0.01 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1u1m h ILE 162 CO 0.00 0.26 0.00 -0.37 0.00 0.00 0.00 178.15 178.04 1u1m h VAL 163 N -1.00 0.00 0.00 1.67 -1.51 -1.01 -1.20 116.25 113.21 1u1m h VAL 163 Ca -0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1u1m h VAL 163 Cb 0.43 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 1u1m h VAL 163 CO 0.00 0.00 -0.04 0.16 -1.23 0.00 0.00 177.57 176.46 1u1m h ILE 164 N 0.00 0.00 -4.14 7.19 3.07 -1.66 -3.45 117.51 118.52 1u1m h ILE 164 Ca 0.00 -0.72 -0.49 0.00 1.55 0.00 0.00 64.86 65.20 1u1m h ILE 164 Cb 0.15 1.70 0.03 0.00 -0.27 0.00 0.00 36.82 38.43 1u1m h ILE 164 CO 0.00 0.00 0.34 -1.10 -1.05 0.00 0.00 178.15 176.34 1u1m s GLN 165 N -3.16 3.77 -0.14 0.16 -1.52 -0.45 -5.02 119.66 113.30 1u1m s GLN 165 Ca 0.09 0.76 -0.06 0.00 -1.95 0.00 0.00 55.36 54.20 1u1m s GLN 165 Cb 0.09 -2.17 -0.25 0.00 -0.22 0.00 0.00 33.01 30.47 1u1m s GLN 165 CO 0.64 -0.34 0.28 1.17 -0.25 0.00 0.00 175.29 176.79 1u1m n LYS 166 N -2.00 0.74 -4.59 2.91 4.81 -1.26 -4.97 118.16 113.80 1u1m n LYS 166 Ca 0.05 0.26 -0.30 0.00 -0.87 0.00 0.00 58.31 57.45 1u1m n LYS 166 Cb 0.54 -1.69 -0.12 0.00 0.02 0.00 0.00 35.03 33.78 1u1m n LYS 166 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1u1m s TYR 167 N -2.55 2.55 -0.09 5.64 2.02 -1.26 -4.91 117.35 118.76 1u1m s TYR 167 Ca -0.24 -0.26 -0.04 0.00 -0.37 0.00 0.00 57.07 56.16 1u1m s TYR 167 Cb 0.07 -1.44 0.05 0.00 -0.40 0.00 0.00 41.96 40.24 1u1m s TYR 167 CO 0.74 0.28 0.18 -1.01 -1.57 0.00 0.00 175.55 174.16 1u1m s HIS 168 N -0.97 -0.22 -0.30 2.71 3.76 -1.26 -5.03 115.29 113.98 1u1m s HIS 168 Ca 0.15 0.64 -0.10 0.00 -0.15 0.00 0.00 55.06 55.59 1u1m s HIS 168 Cb -0.10 -0.15 -0.02 0.00 1.11 0.00 0.00 32.58 33.41 1u1m s HIS 168 CO 0.06 -0.25 0.17 0.99 -0.85 0.00 0.00 174.74 174.86 1u1m s THR 169 N 1.90 4.89 -0.05 1.30 2.01 -1.26 0.05 115.64 124.48 1u1m s THR 169 Ca -0.02 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.81 1u1m s THR 169 Cb -0.12 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 68.97 1u1m s THR 169 CO -0.06 0.13 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.20 1u1m s VAL 170 N 1.67 0.99 -1.45 3.82 1.01 -0.39 -4.76 120.40 121.29 1u1m s VAL 170 Ca 0.06 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 1u1m s VAL 170 Cb -0.17 -0.90 0.05 0.00 0.00 0.00 0.00 36.38 35.36 1u1m s VAL 170 CO 0.08 0.31 1.04 -3.20 0.00 0.00 0.00 175.10 173.33 1u1m n ASN 171 N 3.64 -5.01 0.00 3.32 5.15 -1.26 -2.15 115.26 118.95 1u1m n ASN 171 Ca -0.22 -0.70 0.00 0.00 -0.60 0.00 0.00 54.58 53.07 1u1m n ASN 171 Cb 0.52 -4.32 0.00 0.00 -0.53 0.00 0.00 39.78 35.45 1u1m n ASN 171 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u1m n GLY 172 N -1.78 3.12 3.22 8.20 0.00 -1.26 -4.96 105.19 111.73 1u1m n GLY 172 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1u1m n GLY 172 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u1m s HIS 173 N -1.54 1.39 0.68 1.61 3.76 -0.91 -5.06 115.29 115.23 1u1m s HIS 173 Ca 0.00 -0.49 -0.17 0.00 -0.15 0.00 0.00 55.06 54.25 1u1m s HIS 173 Cb 0.00 -0.76 -0.01 0.00 1.11 0.00 0.00 32.58 32.93 1u1m s HIS 173 CO 0.00 0.12 1.03 -1.71 -0.85 0.00 0.00 174.74 173.33 1u1m n ASN 174 N 0.93 0.85 -3.90 1.40 2.85 -1.26 -1.27 115.26 114.88 1u1m n ASN 174 Ca -0.18 0.73 -0.10 0.00 -0.11 0.00 0.00 54.58 54.91 1u1m n ASN 174 Cb 0.55 -1.43 -0.09 0.00 1.24 0.00 0.00 39.78 40.05 1u1m n ASN 174 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1u1m s GLU 176 N -2.66 4.33 -0.18 0.00 2.12 -0.14 -4.01 118.70 118.15 1u1m s GLU 176 Ca -0.04 0.46 0.01 0.00 0.36 0.00 0.00 54.97 55.76 1u1m s GLU 176 Cb -0.01 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 30.95 1u1m s GLU 176 CO -0.05 0.11 -0.20 0.08 -0.54 0.00 0.00 175.26 174.67 1u1m s VAL 177 N 0.77 2.05 0.35 3.70 1.01 -1.26 -0.55 120.40 126.47 1u1m s VAL 177 Ca 0.26 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.35 1u1m s VAL 177 Cb -0.15 -1.86 -0.07 0.00 0.00 0.00 0.00 36.38 34.30 1u1m s VAL 177 CO 0.11 0.53 0.03 -0.13 0.00 0.00 0.00 175.10 175.64 1u1m s ARG 178 N 1.29 1.77 0.34 2.72 3.00 -0.44 -4.74 118.95 122.88 1u1m s ARG 178 Ca 0.05 -1.98 -0.27 0.00 0.00 0.00 0.00 55.73 53.53 1u1m s ARG 178 Cb -0.13 -1.19 -0.09 0.00 0.00 0.00 0.00 34.95 33.54 1u1m s ARG 178 CO -0.13 -0.12 1.11 0.15 0.00 0.00 0.00 175.30 176.31 1u1m s LYS 179 N -3.81 4.37 -0.04 3.54 1.02 -1.26 -0.55 119.74 123.00 1u1m s LYS 179 Ca 0.36 1.75 -0.30 0.00 0.02 0.00 0.00 55.97 57.80 1u1m s LYS 179 Cb 0.09 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 1u1m s LYS 179 CO 0.16 -0.02 1.13 0.00 -0.92 0.00 0.00 175.35 175.70 1u1m s ALA 180 N -1.35 3.42 0.17 5.17 0.00 -0.41 -4.57 121.76 124.19 1u1m s ALA 180 Ca 0.51 0.59 0.03 0.00 0.00 0.00 0.00 51.96 53.09 1u1m s ALA 180 Cb -0.29 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 1u1m s ALA 180 CO 0.37 -0.61 0.30 -0.51 0.00 0.00 0.00 175.76 175.31 1u1m s LEU 181 N 1.85 4.34 0.91 0.00 1.43 -1.26 -4.93 118.68 121.01 1u1m s LEU 181 Ca 0.54 0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.66 1u1m s LEU 181 Cb -0.23 -2.90 0.14 0.00 0.03 0.00 0.00 46.19 43.22 1u1m s LEU 181 CO 0.23 0.03 1.17 -0.94 0.23 0.00 0.00 176.35 177.06 1u1m s SER 182 N -3.39 3.57 0.35 2.29 1.04 -1.26 -4.74 113.70 111.56 1u1m s SER 182 Ca 0.34 0.83 0.07 0.00 0.48 0.00 0.00 55.95 57.67 1u1m s SER 182 Cb -0.11 -1.31 0.77 0.00 0.10 0.00 0.00 66.02 65.47 1u1m s SER 182 CO 0.29 -2.50 1.90 0.50 0.98 0.00 0.00 173.24 174.40 1u1m h LYS 183 N -1.47 0.72 0.21 4.02 3.64 -2.00 -0.28 116.57 121.42 1u1m h LYS 183 Ca -0.48 -0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 58.53 1u1m h LYS 183 Cb 1.32 -0.16 0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1u1m h LYS 183 CO 0.59 0.48 -1.40 1.96 -2.27 0.00 0.00 179.45 178.81 1u1m h GLN 184 N 0.75 0.52 -0.88 1.90 4.20 -1.99 -3.02 115.11 116.58 1u1m h GLN 184 Ca 0.40 -0.84 -0.02 0.00 0.06 0.00 0.00 58.65 58.25 1u1m h GLN 184 Cb 0.53 0.31 -0.04 0.00 0.30 0.00 0.00 27.48 28.58 1u1m h GLN 184 CO -0.17 1.40 0.47 0.93 -0.67 0.00 0.00 178.83 180.79 1u1m h GLU 185 N 0.16 1.23 -0.18 1.46 5.08 -1.73 0.12 114.58 120.73 1u1m h GLU 185 Ca -0.22 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.01 1u1m h GLU 185 Cb 2.09 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 31.07 1u1m h GLU 185 CO 0.26 0.91 -0.00 0.52 -1.00 0.00 0.00 179.01 179.70 1u1m h MET 186 N 1.24 0.06 0.02 2.33 2.86 -1.14 -0.85 114.93 119.45 1u1m h MET 186 Ca 0.31 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.97 1u1m h MET 186 Cb 0.05 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 1u1m h MET 186 CO -0.05 0.04 -0.20 0.00 1.06 0.00 0.00 176.91 177.76 1u1m h ALA 187 N 1.15 -0.26 0.00 6.32 0.00 -1.21 -0.66 119.26 124.60 1u1m h ALA 187 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1u1m h ALA 187 Cb 0.10 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1u1m h ALA 187 CO -0.14 -0.70 0.00 0.43 0.00 0.00 0.00 179.25 178.84 1u1m n SER 188 N -5.32 0.31 -0.00 0.00 7.64 0.33 -1.02 113.62 115.55 1u1m n SER 188 Ca -0.05 0.63 0.10 0.00 1.01 0.00 0.00 58.87 60.56 1u1m n SER 188 Cb 0.24 -0.68 -0.12 0.00 -1.01 0.00 0.00 64.21 62.64 1u1m n SER 188 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u1m n ALA 189 N -1.65 4.24 0.98 -0.43 0.00 -0.37 -5.07 120.51 118.22 1u1m n ALA 189 Ca -0.00 -0.55 0.12 0.00 0.00 0.00 0.00 53.44 53.00 1u1m n ALA 189 Cb 0.05 -0.73 0.10 0.00 0.00 0.00 0.00 19.45 18.87 1u1m n ALA 189 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93