#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2omd s GLU 2 N 0.00 3.99 0.05 0.03 2.02 -1.26 -5.07 118.70 118.46 2omd s GLU 2 Ca 0.00 -0.22 -0.03 0.00 0.02 0.00 0.00 54.97 54.73 2omd s GLU 2 Cb 0.00 -3.64 -0.02 0.00 0.10 0.00 0.00 34.13 30.57 2omd s GLU 2 CO 0.00 -0.16 0.04 0.14 0.02 0.00 0.00 175.26 175.30 2omd s VAL 3 N 1.70 0.18 0.21 2.63 -7.23 -1.26 -5.05 120.40 111.58 2omd s VAL 3 Ca 0.09 -1.46 -0.00 0.00 -1.81 0.00 0.00 61.98 58.80 2omd s VAL 3 Cb -0.16 -1.24 -0.05 0.00 0.56 0.00 0.00 36.38 35.49 2omd s VAL 3 CO 0.10 -0.81 1.52 1.23 -0.31 0.00 0.00 175.10 176.83 2omd h GLY 4 N 3.31 0.46 -5.05 2.32 0.00 -2.08 -3.45 103.07 98.59 2omd h GLY 4 Ca -0.34 -0.55 -0.15 0.00 0.00 0.00 0.00 47.33 46.29 2omd h GLY 4 CO 0.59 0.49 -0.41 -0.29 0.00 0.00 0.00 176.54 176.92 2omd s MET 5 N -3.87 0.41 -0.04 4.80 -2.45 -1.26 -5.12 119.30 111.78 2omd s MET 5 Ca -0.06 0.07 -0.30 0.00 -1.25 0.00 0.00 55.69 54.15 2omd s MET 5 Cb 0.11 0.19 -0.04 0.00 1.25 0.00 0.00 34.83 36.34 2omd s MET 5 CO 0.82 -0.08 1.34 0.42 1.05 0.00 0.00 175.02 178.57 2omd s ILE 6 N -0.51 3.92 0.47 10.11 1.01 -1.26 -4.96 121.20 129.98 2omd s ILE 6 Ca -0.06 1.26 -0.25 0.00 0.00 0.00 0.00 60.65 61.61 2omd s ILE 6 Cb -0.04 -3.81 -0.08 0.00 0.01 0.00 0.00 42.46 38.54 2omd s ILE 6 CO 0.01 -0.02 1.41 -2.16 0.00 0.00 0.00 174.94 174.18 2omd s PRO 7 N 2.53 3.59 0.18 2.79 0.04 -1.26 -4.91 135.00 137.96 2omd s PRO 7 Ca 0.61 2.37 0.04 0.00 0.04 0.00 0.00 61.00 64.06 2omd s PRO 7 Cb -0.28 -2.58 0.03 0.00 0.04 0.00 0.00 34.50 31.71 2omd s PRO 7 CO 0.24 -0.87 1.41 0.00 0.04 0.00 0.00 177.00 177.82 2omd h ARG 8 N 2.17 0.14 -5.15 4.56 -0.00 -1.93 -3.42 114.38 110.76 2omd h ARG 8 Ca -0.51 -0.15 -0.66 0.00 -0.50 0.00 0.00 59.98 58.16 2omd h ARG 8 Cb 1.27 0.04 -0.34 0.00 0.00 0.00 0.00 29.97 30.94 2omd h ARG 8 CO 0.60 0.90 -0.87 0.08 0.00 0.00 0.00 179.97 180.69 2omd s VAL 9 N -3.23 1.98 -0.01 2.04 1.01 -1.26 -0.56 120.40 120.37 2omd s VAL 9 Ca -0.02 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.03 2omd s VAL 9 Cb 0.11 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.74 2omd s VAL 9 CO 0.81 0.53 -0.01 -0.47 0.00 0.00 0.00 175.10 175.97 2omd s TYR 10 N 0.79 0.14 -0.20 5.22 5.04 -0.84 -5.00 117.35 122.50 2omd s TYR 10 Ca -0.08 -0.00 -0.04 0.00 -2.44 0.00 0.00 57.07 54.51 2omd s TYR 10 Cb -0.16 -0.14 0.09 0.00 0.35 0.00 0.00 41.96 42.10 2omd s TYR 10 CO -0.01 -0.03 0.21 -1.17 -1.34 0.00 0.00 175.55 173.21 2omd s LEU 11 N 0.24 -0.08 0.09 6.97 2.96 -1.26 -1.58 118.68 126.02 2omd s LEU 11 Ca -0.02 -0.23 -0.25 0.00 -0.22 0.00 0.00 54.13 53.41 2omd s LEU 11 Cb -0.04 0.34 0.09 0.00 0.50 0.00 0.00 46.19 47.08 2omd s LEU 11 CO -0.01 -0.33 1.16 -0.83 -1.32 0.00 0.00 176.35 175.03 2omd s GLY 12 N 2.31 0.01 0.00 7.98 0.00 -1.19 -5.00 107.32 111.44 2omd s GLY 12 Ca 0.06 -0.18 0.30 0.00 0.00 0.00 0.00 44.72 44.90 2omd s GLY 12 CO -0.12 4.13 1.97 1.42 0.00 0.00 0.00 173.10 180.51 2omd n HIS 13 N -0.81 0.00 -2.53 1.90 8.25 -1.26 -1.05 115.22 119.72 2omd n HIS 13 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2omd n HIS 13 Cb 0.59 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.54 2omd n HIS 13 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2omd n GLU 14 N -0.98 2.37 -3.60 -0.41 -0.58 -1.26 -4.80 120.64 111.37 2omd n GLU 14 Ca 0.16 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.78 2omd n GLU 14 Cb 0.24 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.05 2omd n GLU 14 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2omd s TRP 15 N 1.41 -0.56 -0.23 -0.32 -0.00 -1.26 -4.79 118.94 113.19 2omd s TRP 15 Ca 0.00 1.23 -0.16 0.00 -0.00 0.00 0.00 56.10 57.18 2omd s TRP 15 Cb 0.00 0.37 -0.10 0.00 -0.00 0.00 0.00 33.47 33.74 2omd s TRP 15 CO 0.00 -0.35 -0.28 1.19 -0.00 0.00 0.00 176.95 177.51 2omd n PHE 16 N 1.80 0.19 0.00 5.86 3.72 -1.26 -4.61 117.46 123.16 2omd n PHE 16 Ca -0.13 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2omd n PHE 16 Cb 0.56 -0.83 0.00 0.00 -0.94 0.00 0.00 39.48 38.28 2omd n PHE 16 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2omd n GLY 17 N 1.37 0.17 0.36 1.37 0.00 -1.26 -4.35 105.19 102.85 2omd n GLY 17 Ca -0.35 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 43.98 2omd n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2omd h ALA 18 N 0.00 1.20 -0.05 4.61 0.00 -2.00 -1.84 119.26 121.18 2omd h ALA 18 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2omd h ALA 18 Cb 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 2omd h ALA 18 CO 0.00 0.62 0.03 0.93 0.00 0.00 0.00 179.25 180.83 2omd h GLU 19 N 1.29 0.07 -0.54 0.00 3.07 -1.99 -0.02 114.58 116.45 2omd h GLU 19 Ca 0.34 -0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.11 2omd h GLU 19 Cb -0.11 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 2omd h GLU 19 CO -0.07 0.04 -0.03 -0.09 -1.40 0.00 0.00 179.01 177.47 2omd h ARG 20 N 0.07 0.97 -0.09 2.33 2.43 -1.72 -1.32 114.38 117.05 2omd h ARG 20 Ca 0.02 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 58.86 2omd h ARG 20 Cb -0.00 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2omd h ARG 20 CO -0.01 0.99 0.02 0.82 -1.51 0.00 0.00 179.97 180.28 2omd h ILE 21 N 0.85 1.21 -0.44 1.20 2.04 -1.19 0.50 117.51 121.67 2omd h ILE 21 Ca 0.15 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 2omd h ILE 21 Cb 0.57 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 2omd h ILE 21 CO 0.03 0.18 0.08 -0.07 0.00 0.00 0.00 178.15 178.37 2omd h LEU 22 N -0.08 0.63 -0.16 1.44 3.38 -0.98 0.11 115.31 119.65 2omd h LEU 22 Ca 0.03 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 2omd h LEU 22 Cb 0.27 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2omd h LEU 22 CO 0.00 0.65 -0.45 -1.28 0.09 0.00 0.00 178.44 177.45 2omd h SER 23 N 0.65 0.66 0.59 -0.43 0.87 -1.11 -3.36 113.55 111.43 2omd h SER 23 Ca 0.14 -0.59 -0.28 0.00 -1.23 0.00 0.00 61.79 59.84 2omd h SER 23 Cb 0.29 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2omd h SER 23 CO 0.00 1.14 -1.45 -0.33 -0.53 0.00 0.00 176.83 175.66 2omd h GLU 24 N 0.22 0.13 -6.47 2.24 5.08 -0.73 -3.46 114.58 111.60 2omd h GLU 24 Ca -0.01 -0.23 -0.54 0.00 -1.00 0.00 0.00 59.36 57.59 2omd h GLU 24 Cb 1.07 0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.41 2omd h GLU 24 CO 0.10 0.95 0.79 -0.47 -1.00 0.00 0.00 179.01 179.38 2omd s TYR 25 N -2.63 3.01 -0.30 4.33 5.04 0.37 -4.98 117.35 122.19 2omd s TYR 25 Ca -0.06 0.85 -0.18 0.00 -2.44 0.00 0.00 57.07 55.24 2omd s TYR 25 Cb 0.08 -3.70 -0.02 0.00 0.35 0.00 0.00 41.96 38.68 2omd s TYR 25 CO 0.84 -2.53 0.50 -0.65 -1.34 0.00 0.00 175.55 172.38 2omd s GLN 26 N 1.78 3.87 0.02 4.97 -1.52 -1.26 -4.91 119.66 122.61 2omd s GLN 26 Ca 0.65 0.09 -0.30 0.00 -1.95 0.00 0.00 55.36 53.85 2omd s GLN 26 Cb -0.35 -3.72 -0.06 0.00 -0.22 0.00 0.00 33.01 28.66 2omd s GLN 26 CO 0.29 -0.48 1.44 0.08 -0.25 0.00 0.00 175.29 176.37 2omd s VAL 27 N 2.34 3.56 0.54 1.09 1.01 -1.26 -4.98 120.40 122.70 2omd s VAL 27 Ca 0.20 0.98 -0.21 0.00 0.00 0.00 0.00 61.98 62.95 2omd s VAL 27 Cb -0.15 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2omd s VAL 27 CO 0.11 0.00 1.22 -2.84 0.00 0.00 0.00 175.10 173.60 2omd s PRO 28 N 2.32 3.26 0.64 2.72 0.02 -1.26 -4.90 135.00 137.79 2omd s PRO 28 Ca 0.66 1.89 0.33 0.00 0.02 0.00 0.00 61.00 63.89 2omd s PRO 28 Cb -0.33 -2.14 1.82 0.00 0.02 0.00 0.00 34.50 33.86 2omd s PRO 28 CO 0.28 -0.99 2.09 0.93 -0.33 0.00 0.00 177.00 178.97 2omd h GLU 29 N 1.37 0.00 -0.16 5.54 5.08 -2.04 -0.12 114.58 124.25 2omd h GLU 29 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2omd h GLU 29 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2omd h GLU 29 CO 0.57 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.18 2omd n ASP 30 N -3.29 2.02 -4.55 1.42 5.75 -1.26 -4.86 116.55 111.77 2omd n ASP 30 Ca -0.00 -1.74 -0.34 0.00 -0.01 0.00 0.00 54.79 52.70 2omd n ASP 30 Cb 0.31 -0.10 -0.11 0.00 -1.03 0.00 0.00 41.12 40.19 2omd n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2omd n GLY 32 N 3.26 1.65 3.11 0.00 0.00 -0.72 -4.79 105.19 107.69 2omd n GLY 32 Ca -0.17 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 2omd n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2omd s ALA 33 N -0.83 -0.53 -0.03 4.61 0.00 -0.73 -4.86 121.76 119.39 2omd s ALA 33 Ca 0.01 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.54 2omd s ALA 33 Cb 0.01 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.84 2omd s ALA 33 CO 0.00 -0.12 -0.03 -0.65 0.00 0.00 0.00 175.76 174.97 2omd s GLN 34 N -0.03 0.50 -0.13 0.00 -0.21 -1.26 -1.15 119.66 117.38 2omd s GLN 34 Ca -0.01 -0.06 -0.00 0.00 0.02 0.00 0.00 55.36 55.30 2omd s GLN 34 Cb -0.02 -0.56 0.03 0.00 1.00 0.00 0.00 33.01 33.46 2omd s GLN 34 CO 0.01 -0.04 -0.07 0.08 -2.12 0.00 0.00 175.29 173.14 2omd s VAL 35 N 0.64 1.03 -0.10 1.09 1.01 -0.53 -4.99 120.40 118.56 2omd s VAL 35 Ca -0.07 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2omd s VAL 35 Cb -0.10 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2omd s VAL 35 CO -0.01 0.30 -0.11 -0.22 0.00 0.00 0.00 175.10 175.07 2omd s LEU 36 N 1.70 2.89 -0.07 3.92 2.96 -1.26 -1.32 118.68 127.51 2omd s LEU 36 Ca 0.04 -0.20 0.05 0.00 -0.22 0.00 0.00 54.13 53.80 2omd s LEU 36 Cb -0.13 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 2omd s LEU 36 CO -0.08 0.26 -0.21 0.12 -1.32 0.00 0.00 176.35 175.11 2omd s PHE 37 N -0.19 2.54 -0.14 5.38 5.36 0.56 -4.99 117.98 126.51 2omd s PHE 37 Ca 0.01 -0.59 0.01 0.00 -0.96 0.00 0.00 56.93 55.39 2omd s PHE 37 Cb -0.13 -1.64 0.02 0.00 -0.34 0.00 0.00 43.02 40.93 2omd s PHE 37 CO 0.03 -0.13 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.01 2omd s LEU 38 N -0.21 1.65 -0.20 6.12 1.43 -1.26 -1.68 118.68 124.53 2omd s LEU 38 Ca -0.01 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 52.48 2omd s LEU 38 Cb -0.13 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 2omd s LEU 38 CO 0.03 -0.04 0.36 -0.83 0.23 0.00 0.00 176.35 176.10 2omd s GLY 39 N 1.38 2.10 -0.07 -3.19 0.00 0.64 -4.98 107.32 103.19 2omd s GLY 39 Ca 0.02 -0.55 0.03 0.00 0.00 0.00 0.00 44.72 44.22 2omd s GLY 39 CO -0.08 0.72 -0.16 -0.42 0.00 0.00 0.00 173.10 173.16 2omd s ILE 40 N 1.17 1.45 0.20 0.90 1.01 -1.26 -0.85 121.20 123.81 2omd s ILE 40 Ca 0.18 -0.68 -0.33 0.00 0.00 0.00 0.00 60.65 59.82 2omd s ILE 40 Cb -0.14 -1.28 -0.13 0.00 0.01 0.00 0.00 42.46 40.92 2omd s ILE 40 CO 0.07 0.42 1.63 -2.65 0.00 0.00 0.00 174.94 174.41 2omd n PRO 41 N 3.59 2.46 -4.12 2.79 -0.02 -1.25 -4.85 135.00 133.60 2omd n PRO 41 Ca -0.21 0.89 -0.23 0.00 -2.02 0.00 0.00 63.50 61.93 2omd n PRO 41 Cb 0.52 -2.68 -0.05 0.00 -0.02 0.00 0.00 33.50 31.27 2omd n PRO 41 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2omd s ARG 42 N 0.81 2.86 -0.45 -0.52 0.52 -1.26 -2.18 118.95 118.73 2omd s ARG 42 Ca 0.75 -1.03 0.09 0.00 -0.52 0.00 0.00 55.73 55.02 2omd s ARG 42 Cb -0.59 -2.55 0.34 0.00 0.52 0.00 0.00 34.95 32.68 2omd s ARG 42 CO 0.37 0.42 0.81 -1.71 0.02 0.00 0.00 175.30 175.21 2omd n ASN 43 N -0.92 2.24 -4.79 0.23 5.15 -1.26 -4.96 115.26 110.95 2omd n ASN 43 Ca -0.08 -3.27 -0.34 0.00 -0.60 0.00 0.00 54.58 50.29 2omd n ASN 43 Cb 0.57 -0.60 -0.02 0.00 -0.53 0.00 0.00 39.78 39.20 2omd n ASN 43 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2omd s ALA 44 N -2.80 2.83 0.48 5.20 0.00 -1.26 -4.60 121.76 121.61 2omd s ALA 44 Ca 0.43 0.65 0.25 0.00 0.00 0.00 0.00 51.96 53.29 2omd s ALA 44 Cb 0.32 -3.28 1.29 0.00 0.00 0.00 0.00 23.12 21.45 2omd s ALA 44 CO -0.10 -0.44 1.87 -1.35 0.00 0.00 0.00 175.76 175.74 2omd h PRO 45 N 1.43 0.19 0.00 0.00 0.11 -1.96 -0.84 132.00 130.93 2omd h PRO 45 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2omd h PRO 45 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2omd h PRO 45 CO 0.58 0.12 0.00 1.05 -0.21 0.00 0.00 178.00 179.55 2omd h GLU 46 N 0.19 0.00 -0.56 1.05 4.11 -2.03 -2.51 114.58 114.84 2omd h GLU 46 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.89 2omd h GLU 46 Cb 1.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.73 2omd h GLU 46 CO -0.10 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.73 2omd n ASP 47 N -3.01 3.80 0.00 3.06 8.00 -0.32 -4.94 116.55 123.14 2omd n ASP 47 Ca -0.01 -2.16 0.00 0.00 0.71 0.00 0.00 54.79 53.33 2omd n ASP 47 Cb 0.19 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 2omd n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2omd n GLY 48 N 1.04 2.99 2.42 0.44 0.00 -0.94 -4.53 105.19 106.61 2omd n GLY 48 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 2omd n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2omd n GLY 49 N -1.08 1.15 0.45 -0.02 0.00 -1.20 -4.85 105.19 99.63 2omd n GLY 49 Ca 0.00 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.81 2omd n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2omd n ASN 50 N -0.66 2.83 -4.67 1.61 4.05 -1.26 -4.99 115.26 112.17 2omd n ASN 50 Ca -0.16 -2.41 -0.41 0.00 0.45 0.00 0.00 54.58 52.05 2omd n ASN 50 Cb 0.55 -0.28 -0.04 0.00 1.23 0.00 0.00 39.78 41.24 2omd n ASN 50 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2omd s ILE 51 N -1.72 4.87 -0.14 -1.44 1.01 -1.26 -1.23 121.20 121.30 2omd s ILE 51 Ca 0.23 1.64 0.19 0.00 0.00 0.00 0.00 60.65 62.71 2omd s ILE 51 Cb 0.17 -4.14 -0.26 0.00 0.01 0.00 0.00 42.46 38.24 2omd s ILE 51 CO 0.08 0.01 0.32 1.21 0.00 0.00 0.00 174.94 176.56 2omd n GLU 52 N 5.34 0.67 -3.68 2.79 2.13 0.00 -4.81 120.64 123.09 2omd n GLU 52 Ca 0.05 -0.02 -0.01 0.00 0.66 0.00 0.00 57.16 57.83 2omd n GLU 52 Cb 0.49 -1.57 -0.01 0.00 0.27 0.00 0.00 31.44 30.61 2omd n GLU 52 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2omd s ALA 53 N -2.85 -1.95 0.10 4.31 0.00 -1.01 -3.19 121.76 117.17 2omd s ALA 53 Ca -0.08 0.49 0.10 0.00 0.00 0.00 0.00 51.96 52.46 2omd s ALA 53 Cb 0.09 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 2omd s ALA 53 CO 0.85 -1.01 -0.25 -0.51 0.00 0.00 0.00 175.76 174.83 2omd s LEU 54 N -2.91 2.26 -0.19 0.00 1.43 -0.38 -0.20 118.68 118.70 2omd s LEU 54 Ca 0.13 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2omd s LEU 54 Cb 0.02 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.09 2omd s LEU 54 CO -0.01 0.18 -0.14 -0.70 0.23 0.00 0.00 176.35 175.90 2omd s GLU 55 N -1.74 3.16 -0.14 1.70 -6.30 0.82 -0.79 118.70 115.41 2omd s GLU 55 Ca 0.11 -0.75 -0.06 0.00 -2.50 0.00 0.00 54.97 51.77 2omd s GLU 55 Cb -0.10 -2.72 -0.04 0.00 0.00 0.00 0.00 34.13 31.27 2omd s GLU 55 CO 0.04 -0.16 0.08 0.71 0.02 0.00 0.00 175.26 175.96 2omd s TYR 56 N 1.25 3.36 0.28 5.30 2.02 -0.38 -0.86 117.35 128.33 2omd s TYR 56 Ca 0.03 0.28 0.04 0.00 -0.37 0.00 0.00 57.07 57.04 2omd s TYR 56 Cb -0.14 -1.98 -0.06 0.00 -0.40 0.00 0.00 41.96 39.39 2omd s TYR 56 CO -0.07 0.43 0.04 -1.21 -1.57 0.00 0.00 175.55 173.17 2omd s GLU 57 N -0.37 1.51 0.15 -0.62 0.41 -0.25 -0.81 118.70 118.72 2omd s GLU 57 Ca 0.10 -1.81 -0.24 0.00 -0.41 0.00 0.00 54.97 52.61 2omd s GLU 57 Cb -0.12 -0.72 0.08 0.00 -1.78 0.00 0.00 34.13 31.59 2omd s GLU 57 CO 0.02 -0.16 1.05 0.00 -0.49 0.00 0.00 175.26 175.68 2omd s ALA 58 N -3.39 -1.72 -0.81 5.21 0.00 -1.26 -1.08 121.76 118.72 2omd s ALA 58 Ca 0.34 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.09 2omd s ALA 58 Cb 0.07 0.69 0.21 0.00 0.00 0.00 0.00 23.12 24.10 2omd s ALA 58 CO 0.13 -1.06 0.73 0.71 0.00 0.00 0.00 175.76 176.27 2omd s TYR 59 N -2.51 3.73 0.12 0.00 2.02 -1.07 -4.97 117.35 114.66 2omd s TYR 59 Ca 0.19 -2.11 -0.23 0.00 -0.37 0.00 0.00 57.07 54.55 2omd s TYR 59 Cb -0.01 -3.74 -0.05 0.00 -0.40 0.00 0.00 41.96 37.76 2omd s TYR 59 CO 0.03 -0.97 1.29 -2.30 -1.57 0.00 0.00 175.55 172.04 2omd n PRO 60 N 3.87 -0.32 0.13 -1.71 -0.02 -1.26 -0.33 135.00 135.36 2omd n PRO 60 Ca 0.13 1.27 -0.14 0.00 -2.02 0.00 0.00 63.50 62.75 2omd n PRO 60 Cb 0.46 -1.87 -0.07 0.00 -0.02 0.00 0.00 33.50 31.99 2omd n PRO 60 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2omd h GLU 61 N 0.00 -0.25 -0.68 -0.52 5.08 -1.99 -1.49 114.58 114.73 2omd h GLU 61 Ca 0.12 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2omd h GLU 61 Cb 0.30 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2omd h GLU 61 CO -0.69 -0.17 0.42 0.52 -1.00 0.00 0.00 179.01 178.10 2omd h MET 62 N -0.26 0.80 -0.01 2.33 2.86 -1.90 -2.00 114.93 116.75 2omd h MET 62 Ca -0.02 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2omd h MET 62 Cb 0.20 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 2omd h MET 62 CO 0.04 0.53 0.00 0.00 1.06 0.00 0.00 176.91 178.53 2omd h ALA 63 N 1.30 0.01 -0.34 6.32 0.00 -0.53 -1.78 119.26 124.23 2omd h ALA 63 Ca 0.27 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2omd h ALA 63 Cb 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2omd h ALA 63 CO -0.11 -0.38 -0.02 0.97 0.00 0.00 0.00 179.25 179.71 2omd h ILE 64 N -0.21 1.21 -0.50 0.00 2.10 -1.18 0.13 117.51 119.06 2omd h ILE 64 Ca 0.00 -0.83 -0.08 0.00 1.08 0.00 0.00 64.86 65.03 2omd h ILE 64 Cb 0.22 0.96 -0.02 0.00 -1.09 0.00 0.00 36.82 36.90 2omd h ILE 64 CO -0.00 0.28 -0.01 0.11 -1.08 0.00 0.00 178.15 177.45 2omd h LYS 65 N 0.52 0.88 -0.18 2.19 1.57 -1.28 -1.00 116.57 119.27 2omd h LYS 65 Ca 0.11 -0.29 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 2omd h LYS 65 Cb 0.36 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2omd h LYS 65 CO 0.01 0.92 -0.45 1.49 -0.57 0.00 0.00 179.45 180.86 2omd h GLU 66 N 0.74 0.45 -0.31 3.15 4.57 -0.81 -1.72 114.58 120.65 2omd h GLU 66 Ca 0.14 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 2omd h GLU 66 Cb 0.53 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 2omd h GLU 66 CO 0.03 0.81 0.15 0.52 -1.18 0.00 0.00 179.01 179.34 2omd h MET 67 N 0.36 0.46 -0.29 1.92 2.86 -0.48 -0.94 114.93 118.82 2omd h MET 67 Ca 0.03 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2omd h MET 67 Cb 0.93 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 2omd h MET 67 CO 0.08 0.43 -0.03 1.49 1.06 0.00 0.00 176.91 179.94 2omd h GLU 68 N 0.37 0.46 -0.45 1.72 4.57 -1.03 -0.88 114.58 119.34 2omd h GLU 68 Ca 0.11 -0.10 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 2omd h GLU 68 Cb 0.13 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2omd h GLU 68 CO -0.01 0.51 -0.00 -0.22 -1.18 0.00 0.00 179.01 178.11 2omd h LYS 69 N 0.44 0.80 -0.69 1.92 3.64 -0.89 -1.17 116.57 120.61 2omd h LYS 69 Ca 0.09 -0.25 -0.07 0.00 -1.27 0.00 0.00 60.65 59.15 2omd h LYS 69 Cb 0.34 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2omd h LYS 69 CO 0.01 0.86 0.17 0.82 -2.27 0.00 0.00 179.45 179.03 2omd h ILE 70 N 0.64 1.26 -0.54 2.00 2.04 -0.64 -1.10 117.51 121.17 2omd h ILE 70 Ca 0.13 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.02 2omd h ILE 70 Cb 0.50 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2omd h ILE 70 CO 0.02 0.37 0.35 -0.09 0.00 0.00 0.00 178.15 178.80 2omd h ARG 71 N 1.04 0.71 -0.38 2.37 2.43 -0.95 0.45 114.38 120.05 2omd h ARG 71 Ca 0.22 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2omd h ARG 71 Cb 0.37 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2omd h ARG 71 CO 0.00 0.48 0.25 0.37 -1.51 0.00 0.00 179.97 179.56 2omd h GLN 72 N 0.72 0.50 -0.62 0.20 4.15 -0.88 -1.80 115.11 117.39 2omd h GLN 72 Ca 0.20 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 2omd h GLN 72 Cb -0.07 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.48 2omd h GLN 72 CO -0.04 0.34 0.34 0.93 -1.93 0.00 0.00 178.83 178.47 2omd h GLU 73 N 0.51 0.86 -0.11 1.69 5.08 -0.82 -1.57 114.58 120.21 2omd h GLU 73 Ca 0.14 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2omd h GLU 73 Cb -0.05 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2omd h GLU 73 CO -0.03 0.65 0.05 1.15 -1.00 0.00 0.00 179.01 179.83 2omd h THR 74 N 0.84 1.00 0.04 1.13 2.02 -0.61 0.36 112.91 117.69 2omd h THR 74 Ca 0.22 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 2omd h THR 74 Cb 0.04 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2omd h THR 74 CO -0.04 0.02 -0.02 0.40 0.37 0.00 0.00 175.52 176.26 2omd h ILE 75 N 0.12 1.01 -0.35 3.11 2.04 -1.21 -2.00 117.51 120.23 2omd h ILE 75 Ca 0.05 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 2omd h ILE 75 Cb 0.01 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2omd h ILE 75 CO -0.03 0.04 0.09 -0.33 0.00 0.00 0.00 178.15 177.92 2omd h GLU 76 N -0.13 0.56 -0.51 2.37 5.08 -1.14 -0.13 114.58 120.67 2omd h GLU 76 Ca -0.01 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 2omd h GLU 76 Cb 0.11 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2omd h GLU 76 CO 0.01 0.60 0.12 0.87 -1.00 0.00 0.00 179.01 179.61 2omd h LYS 77 N 0.41 0.82 -0.01 2.33 1.57 -0.27 -3.32 116.57 118.11 2omd h LYS 77 Ca 0.11 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2omd h LYS 77 Cb 0.29 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2omd h LYS 77 CO -0.00 0.79 -0.46 1.19 -0.57 0.00 0.00 179.45 180.40 2omd n PHE 78 N -4.44 0.00 -2.28 -1.35 3.72 -0.76 -5.01 117.46 107.34 2omd n PHE 78 Ca 0.02 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.28 2omd n PHE 78 Cb 0.23 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.76 2omd n PHE 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2omd n GLY 79 N 1.22 -0.17 3.91 1.37 0.00 -0.06 -4.91 105.19 106.55 2omd n GLY 79 Ca 0.06 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 2omd n GLY 79 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2omd s VAL 80 N -2.68 2.78 0.00 1.61 -7.23 -1.22 -4.79 120.40 108.86 2omd s VAL 80 Ca 0.01 0.02 -0.08 0.00 -1.81 0.00 0.00 61.98 60.13 2omd s VAL 80 Cb -0.01 -3.20 -0.30 0.00 0.56 0.00 0.00 36.38 33.43 2omd s VAL 80 CO 0.02 -0.24 0.86 0.50 -0.31 0.00 0.00 175.10 175.92 2omd h LYS 81 N -0.63 0.35 -2.73 4.82 1.63 -0.94 -3.46 116.57 115.61 2omd h LYS 81 Ca -0.45 -0.59 -0.07 0.00 -0.85 0.00 0.00 60.65 58.69 2omd h LYS 81 Cb 1.29 0.22 -0.17 0.00 -0.60 0.00 0.00 32.23 32.97 2omd h LYS 81 CO 0.63 1.24 0.01 -2.00 -3.45 0.00 0.00 179.45 175.88 2omd s GLU 82 N -2.61 0.99 -0.06 1.90 2.56 -1.04 -5.01 118.70 115.42 2omd s GLU 82 Ca -0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 54.97 54.65 2omd s GLU 82 Cb 0.06 0.45 0.03 0.00 2.00 0.00 0.00 34.13 36.67 2omd s GLU 82 CO 0.87 -0.34 0.15 0.08 -0.56 0.00 0.00 175.26 175.46 2omd s VAL 83 N -2.18 -0.04 -0.08 3.70 1.01 -1.26 -1.03 120.40 120.53 2omd s VAL 83 Ca -0.07 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.07 2omd s VAL 83 Cb -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 2omd s VAL 83 CO 0.00 0.06 -0.09 -0.36 0.00 0.00 0.00 175.10 174.71 2omd s PHE 84 N 1.00 2.87 -0.21 5.22 0.08 0.16 -4.80 117.98 122.30 2omd s PHE 84 Ca -0.08 -0.14 -0.04 0.00 0.12 0.00 0.00 56.93 56.79 2omd s PHE 84 Cb -0.10 -1.73 0.07 0.00 -0.57 0.00 0.00 43.02 40.69 2omd s PHE 84 CO -0.05 0.19 0.09 0.42 -0.10 0.00 0.00 175.22 175.77 2omd s ILE 85 N -0.53 0.11 0.06 0.64 1.01 0.27 -1.70 121.20 121.07 2omd s ILE 85 Ca 0.08 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.36 2omd s ILE 85 Cb -0.12 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 2omd s ILE 85 CO 0.02 -0.38 -0.22 -1.00 0.00 0.00 0.00 174.94 173.36 2omd s HIS 86 N 2.04 1.89 -0.11 3.97 3.76 0.04 -1.99 115.29 124.89 2omd s HIS 86 Ca 0.03 -0.39 -0.09 0.00 -0.15 0.00 0.00 55.06 54.46 2omd s HIS 86 Cb -0.16 -1.10 0.03 0.00 1.11 0.00 0.00 32.58 32.46 2omd s HIS 86 CO -0.15 0.13 0.29 -1.58 -0.85 0.00 0.00 174.74 172.57 2omd s HIS 87 N -0.89 -0.34 0.44 1.40 5.04 -0.61 -0.46 115.29 119.88 2omd s HIS 87 Ca 0.08 0.81 -0.12 0.00 -1.54 0.00 0.00 55.06 54.29 2omd s HIS 87 Cb -0.09 0.11 -0.07 0.00 0.04 0.00 0.00 32.58 32.57 2omd s HIS 87 CO 0.03 -0.18 0.83 1.03 -2.34 0.00 0.00 174.74 174.11 2omd s ARG 88 N 0.43 3.80 0.19 2.88 0.52 0.15 -3.15 118.95 123.78 2omd s ARG 88 Ca -0.02 0.58 0.09 0.00 -0.52 0.00 0.00 55.73 55.86 2omd s ARG 88 Cb -0.04 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 33.07 2omd s ARG 88 CO -0.02 -0.12 -0.18 -0.51 0.02 0.00 0.00 175.30 174.49 2omd s LEU 89 N -3.99 2.48 0.00 2.53 1.43 -0.21 -4.82 118.68 116.10 2omd s LEU 89 Ca 0.53 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2omd s LEU 89 Cb -0.10 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.26 2omd s LEU 89 CO 0.33 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.48 2omd n GLY 90 N 0.04 -1.67 3.74 -3.19 0.00 0.01 -4.32 105.19 99.80 2omd n GLY 90 Ca -0.11 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 2omd n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2omd s LEU 91 N 0.00 4.46 -0.05 0.99 1.43 -1.26 -1.25 118.68 123.00 2omd s LEU 91 Ca 0.00 2.27 -0.02 0.00 -1.03 0.00 0.00 54.13 55.35 2omd s LEU 91 Cb 0.00 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.64 2omd s LEU 91 CO 0.00 -0.36 0.04 -0.69 0.23 0.00 0.00 176.35 175.58 2omd s VAL 92 N -0.24 0.02 0.64 -1.59 1.01 0.03 -4.99 120.40 115.28 2omd s VAL 92 Ca 0.52 0.34 -0.16 0.00 0.00 0.00 0.00 61.98 62.68 2omd s VAL 92 Cb -0.33 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 2omd s VAL 92 CO 0.38 0.20 1.12 -0.54 0.00 0.00 0.00 175.10 176.26 2omd s LYS 93 N 2.09 2.88 0.30 2.72 1.02 -1.26 -1.24 119.74 126.24 2omd s LYS 93 Ca 0.05 1.47 -0.30 0.00 0.02 0.00 0.00 55.97 57.21 2omd s LYS 93 Cb -0.12 -1.95 -0.11 0.00 -0.52 0.00 0.00 37.83 35.12 2omd s LYS 93 CO -0.04 -1.20 1.54 0.42 -0.92 0.00 0.00 175.35 175.16 2omd s ILE 94 N -2.18 2.18 0.00 2.17 -1.09 -1.19 -1.74 121.20 119.34 2omd s ILE 94 Ca 0.69 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.27 2omd s ILE 94 Cb -0.22 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 2omd s ILE 94 CO 0.38 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 2omd n GLY 95 N 1.87 1.74 3.75 6.18 0.00 -0.92 -5.00 105.19 112.81 2omd n GLY 95 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2omd n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2omd s GLU 96 N -0.69 3.94 0.27 1.61 2.02 -0.71 -4.96 118.70 120.17 2omd s GLU 96 Ca 0.00 -0.22 -0.30 0.00 0.02 0.00 0.00 54.97 54.46 2omd s GLU 96 Cb 0.00 -3.31 -0.11 0.00 0.10 0.00 0.00 34.13 30.81 2omd s GLU 96 CO 0.00 0.43 1.56 -2.14 0.02 0.00 0.00 175.26 175.13 2omd s PRO 97 N -0.02 4.17 -0.00 0.39 0.02 -1.26 -3.97 135.00 134.33 2omd s PRO 97 Ca 0.09 2.49 0.05 0.00 0.02 0.00 0.00 61.00 63.65 2omd s PRO 97 Cb -0.11 -3.06 -0.06 0.00 0.02 0.00 0.00 34.50 31.28 2omd s PRO 97 CO -0.00 -0.58 0.16 -1.13 -0.33 0.00 0.00 177.00 175.11 2omd n SER 98 N 2.48 1.86 -3.86 2.53 3.41 -0.03 -4.90 113.62 115.11 2omd n SER 98 Ca 0.09 -0.34 -0.17 0.00 -0.26 0.00 0.00 58.87 58.19 2omd n SER 98 Cb 0.38 1.10 -0.16 0.00 -0.26 0.00 0.00 64.21 65.27 2omd n SER 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2omd s PHE 99 N -1.85 0.36 -0.03 7.33 5.36 -1.04 -0.67 117.98 127.45 2omd s PHE 99 Ca 0.00 -0.04 0.01 0.00 -0.96 0.00 0.00 56.93 55.94 2omd s PHE 99 Cb 0.03 -0.38 0.02 0.00 -0.34 0.00 0.00 43.02 42.35 2omd s PHE 99 CO 0.20 -0.10 -0.02 -1.17 -1.46 0.00 0.00 175.22 172.66 2omd s LEU 100 N 0.69 1.46 -0.06 6.12 0.20 0.39 -0.26 118.68 127.22 2omd s LEU 100 Ca -0.07 -0.07 -0.01 0.00 0.69 0.00 0.00 54.13 54.67 2omd s LEU 100 Cb -0.10 -0.28 0.03 0.00 -0.43 0.00 0.00 46.19 45.40 2omd s LEU 100 CO -0.01 -0.04 -0.00 -0.69 -0.29 0.00 0.00 176.35 175.31 2omd s VAL 101 N 0.66 0.36 -0.12 1.68 1.01 -0.68 -0.78 120.40 122.53 2omd s VAL 101 Ca -0.07 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2omd s VAL 101 Cb -0.10 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.80 2omd s VAL 101 CO -0.01 0.24 -0.16 -0.22 0.00 0.00 0.00 175.10 174.95 2omd s LEU 102 N 1.69 1.77 -0.06 3.92 2.96 -0.69 -0.32 118.68 127.94 2omd s LEU 102 Ca 0.00 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 2omd s LEU 102 Cb -0.13 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 2omd s LEU 102 CO -0.04 0.01 -0.11 0.00 -1.32 0.00 0.00 176.35 174.89 2omd s ALA 103 N 1.08 2.78 -0.11 5.97 0.00 -0.43 -0.66 121.76 130.39 2omd s ALA 103 Ca -0.04 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.00 2omd s ALA 103 Cb -0.14 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.90 2omd s ALA 103 CO -0.04 0.53 -0.15 0.08 0.00 0.00 0.00 175.76 176.19 2omd s VAL 104 N -0.66 1.47 0.35 0.00 1.01 -0.20 -1.45 120.40 120.92 2omd s VAL 104 Ca 0.10 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 2omd s VAL 104 Cb -0.11 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.94 2omd s VAL 104 CO 0.01 0.44 0.58 -0.83 0.00 0.00 0.00 175.10 175.30 2omd s GLY 105 N 1.02 1.02 0.06 4.51 0.00 -0.30 -0.20 107.32 113.43 2omd s GLY 105 Ca -0.06 -1.19 -0.28 0.00 0.00 0.00 0.00 44.72 43.18 2omd s GLY 105 CO -0.02 -0.73 1.58 -1.33 0.00 0.00 0.00 173.10 172.60 2omd h GLY 106 N 2.09 -0.53 -2.20 0.20 0.00 -1.85 -1.71 103.07 99.06 2omd h GLY 106 Ca -0.29 0.20 -0.50 0.00 0.00 0.00 0.00 47.33 46.74 2omd h GLY 106 CO 0.39 -0.19 -0.67 0.30 0.00 0.00 0.00 176.54 176.37 2omd s HIS 107 N -5.80 1.97 0.30 5.60 3.76 -1.26 -2.25 115.29 117.61 2omd s HIS 107 Ca -0.15 -0.72 0.06 0.00 -0.15 0.00 0.00 55.06 54.10 2omd s HIS 107 Cb 0.04 -1.14 0.49 0.00 1.11 0.00 0.00 32.58 33.08 2omd s HIS 107 CO 0.62 0.27 1.74 0.07 -0.85 0.00 0.00 174.74 176.59 2omd h ARG 108 N 2.25 0.32 0.19 1.40 0.11 -1.89 -2.90 114.38 113.87 2omd h ARG 108 Ca -0.40 -0.13 0.01 0.00 0.10 0.00 0.00 59.98 59.56 2omd h ARG 108 Cb 1.23 -0.02 -0.04 0.00 1.11 0.00 0.00 29.97 32.26 2omd h ARG 108 CO 0.68 0.61 -0.50 1.49 0.10 0.00 0.00 179.97 182.34 2omd h GLU 109 N 0.28 -0.76 0.00 0.08 4.22 -2.00 0.46 114.58 116.87 2omd h GLU 109 Ca 0.04 0.05 -0.11 0.00 0.08 0.00 0.00 59.36 59.42 2omd h GLU 109 Cb 0.69 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2omd h GLU 109 CO 0.05 -0.50 -0.52 1.05 -2.18 0.00 0.00 179.01 176.91 2omd h GLU 110 N -0.78 0.00 -0.37 1.92 9.09 -1.91 -2.95 114.58 119.57 2omd h GLU 110 Ca -0.01 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.24 2omd h GLU 110 Cb 0.77 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.86 2omd h GLU 110 CO -0.24 0.52 -0.40 1.15 0.05 0.00 0.00 179.01 180.09 2omd h THR 111 N 0.00 1.27 -0.27 -1.06 2.02 -1.27 0.54 112.91 114.14 2omd h THR 111 Ca -0.01 -1.58 -0.03 0.00 0.77 0.00 0.00 66.41 65.57 2omd h THR 111 Cb 1.14 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 2omd h THR 111 CO 0.07 0.53 0.05 -0.26 0.37 0.00 0.00 175.52 176.28 2omd h PHE 112 N 0.75 0.47 -0.70 3.16 -1.00 -0.92 -2.07 116.94 116.62 2omd h PHE 112 Ca 0.06 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2omd h PHE 112 Cb 1.00 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 40.39 2omd h PHE 112 CO 0.06 0.53 0.45 0.87 -1.61 0.00 0.00 178.31 178.62 2omd h LYS 113 N 0.26 0.93 -0.01 1.51 1.57 -1.42 -1.68 116.57 117.73 2omd h LYS 113 Ca 0.08 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2omd h LYS 113 Cb 0.31 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2omd h LYS 113 CO 0.00 0.63 -0.02 0.00 -0.57 0.00 0.00 179.45 179.49 2omd h ALA 114 N 1.25 -0.01 -0.04 3.86 0.00 -0.76 -0.17 119.26 123.39 2omd h ALA 114 Ca 0.25 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2omd h ALA 114 Cb -0.09 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2omd h ALA 114 CO -0.05 -0.52 -0.03 0.00 0.00 0.00 0.00 179.25 178.64 2omd h ARG 116 N -0.04 1.23 0.12 0.00 9.65 -1.17 -1.14 114.38 123.04 2omd h ARG 116 Ca 0.03 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 2omd h ARG 116 Cb 0.09 -0.28 0.00 0.00 -1.39 0.00 0.00 29.97 28.39 2omd h ARG 116 CO -0.07 0.82 -0.06 -0.92 2.80 0.00 0.00 179.97 182.54 2omd h TYR 117 N 1.27 -0.15 -0.80 2.20 3.20 -0.65 -0.23 116.97 121.81 2omd h TYR 117 Ca 0.37 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.28 2omd h TYR 117 Cb -0.07 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 2omd h TYR 117 CO -0.00 0.03 0.50 0.00 -1.64 0.00 0.00 178.16 177.05 2omd h ALA 118 N 0.55 1.07 0.13 1.82 0.00 -0.92 0.50 119.26 122.42 2omd h ALA 118 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2omd h ALA 118 Cb 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2omd h ALA 118 CO 0.03 0.29 -0.06 0.28 0.00 0.00 0.00 179.25 179.78 2omd h VAL 119 N 0.96 0.97 -0.34 0.00 2.07 -1.08 -1.74 116.25 117.09 2omd h VAL 119 Ca 0.33 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2omd h VAL 119 Cb 0.07 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2omd h VAL 119 CO -0.13 0.11 0.16 0.44 0.02 0.00 0.00 177.57 178.16 2omd h ASP 120 N -0.38 0.45 -0.74 0.57 3.32 -0.74 -2.47 116.42 116.43 2omd h ASP 120 Ca -0.02 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 2omd h ASP 120 Cb 0.31 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2omd h ASP 120 CO 0.03 0.46 0.24 -0.33 -1.72 0.00 0.00 179.24 177.92 2omd h GLU 121 N 0.41 1.15 -0.43 3.56 4.39 -0.95 -1.97 114.58 120.74 2omd h GLU 121 Ca 0.12 -0.24 0.01 0.00 0.34 0.00 0.00 59.36 59.59 2omd h GLU 121 Cb 0.13 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2omd h GLU 121 CO -0.01 0.97 0.26 1.15 -1.16 0.00 0.00 179.01 180.22 2omd h THR 122 N 1.10 1.07 -0.40 1.13 2.02 -1.18 0.75 112.91 117.40 2omd h THR 122 Ca 0.24 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 2omd h THR 122 Cb 0.30 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2omd h THR 122 CO -0.01 0.10 0.04 0.11 0.37 0.00 0.00 175.52 176.13 2omd h LYS 123 N 0.54 0.62 0.02 6.66 1.57 -1.16 -0.63 116.57 124.18 2omd h LYS 123 Ca 0.16 -0.13 -0.22 0.00 -1.87 0.00 0.00 60.65 58.59 2omd h LYS 123 Cb -0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2omd h LYS 123 CO -0.06 0.61 -1.06 0.87 -0.57 0.00 0.00 179.45 179.24 2omd h LYS 124 N 0.59 0.04 0.00 3.15 1.57 -0.87 -3.41 116.57 117.64 2omd h LYS 124 Ca 0.13 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2omd h LYS 124 Cb 0.32 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2omd h LYS 124 CO 0.01 1.02 -1.18 0.54 -0.57 0.00 0.00 179.45 179.26 2omd n ARG 125 N -3.37 0.29 -3.05 3.15 1.74 0.21 -5.02 116.66 110.61 2omd n ARG 125 Ca -0.02 -0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.63 2omd n ARG 125 Cb 0.95 -1.09 -0.05 0.00 -1.02 0.00 0.00 32.46 31.25 2omd n ARG 125 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2omd s VAL 126 N -2.26 4.99 -1.19 1.55 1.01 -0.25 -4.98 120.40 119.26 2omd s VAL 126 Ca -0.01 1.35 -0.22 0.00 0.00 0.00 0.00 61.98 63.10 2omd s VAL 126 Cb 0.02 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 2omd s VAL 126 CO 0.16 0.11 1.90 -0.81 0.00 0.00 0.00 175.10 176.46 2omd n PRO 127 N 4.87 1.94 -4.06 2.72 -0.04 -1.26 -4.85 135.00 134.32 2omd n PRO 127 Ca 0.00 -2.60 -0.20 0.00 -0.04 0.00 0.00 63.50 60.66 2omd n PRO 127 Cb 0.50 -3.63 -0.16 0.00 -0.04 0.00 0.00 33.50 30.16 2omd n PRO 127 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2omd s ILE 128 N 9.18 0.44 0.07 0.52 1.01 -1.26 -2.60 121.20 128.56 2omd s ILE 128 Ca 0.64 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 61.27 2omd s ILE 128 Cb 0.01 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 2omd s ILE 128 CO 0.12 0.21 -0.09 -1.66 0.00 0.00 0.00 174.94 173.53 2omd s TRP 129 N 1.07 0.87 0.37 3.97 -2.14 -0.24 -4.98 118.94 117.85 2omd s TRP 129 Ca -0.09 -0.64 0.07 0.00 2.66 0.00 0.00 56.10 58.11 2omd s TRP 129 Cb -0.14 -0.50 -0.02 0.00 -3.10 0.00 0.00 33.47 29.72 2omd s TRP 129 CO -0.01 -0.07 0.39 -1.59 -2.66 0.00 0.00 176.95 173.01 2omd s LYS 130 N -2.46 2.74 -0.07 3.25 -2.85 -1.26 -1.09 119.74 118.00 2omd s LYS 130 Ca -0.00 -1.32 -0.04 0.00 -1.00 0.00 0.00 55.97 53.61 2omd s LYS 130 Cb -0.04 -2.54 0.03 0.00 -2.06 0.00 0.00 37.83 33.22 2omd s LYS 130 CO -0.01 -0.06 0.17 0.21 0.10 0.00 0.00 175.35 175.76 2omd s LYS 131 N -4.12 0.14 0.20 1.78 2.20 -0.03 -4.95 119.74 114.96 2omd s LYS 131 Ca 0.46 0.35 -0.25 0.00 -0.36 0.00 0.00 55.97 56.17 2omd s LYS 131 Cb -0.06 -0.08 -0.08 0.00 -1.51 0.00 0.00 37.83 36.09 2omd s LYS 131 CO 0.29 -0.12 0.81 -1.21 -0.36 0.00 0.00 175.35 174.76 2omd s GLU 132 N 0.83 4.55 -0.22 4.03 2.02 -1.26 -0.12 118.70 128.52 2omd s GLU 132 Ca -0.06 1.17 -0.01 0.00 0.02 0.00 0.00 54.97 56.09 2omd s GLU 132 Cb -0.08 -3.14 0.02 0.00 0.10 0.00 0.00 34.13 31.03 2omd s GLU 132 CO -0.04 0.50 -0.11 0.42 0.02 0.00 0.00 175.26 176.05 2omd s ILE 133 N -1.28 2.68 0.69 -1.63 -1.09 0.72 -4.90 121.20 116.39 2omd s ILE 133 Ca 0.39 -0.90 -0.03 0.00 -2.23 0.00 0.00 60.65 57.88 2omd s ILE 133 Cb -0.22 -2.26 0.09 0.00 -1.58 0.00 0.00 42.46 38.49 2omd s ILE 133 CO 0.26 0.35 0.96 -0.36 -1.23 0.00 0.00 174.94 174.92 2omd s PHE 134 N 1.34 2.24 0.00 3.97 0.08 -1.26 -0.82 117.98 123.53 2omd s PHE 134 Ca 0.03 -0.00 0.00 0.00 0.12 0.00 0.00 56.93 57.08 2omd s PHE 134 Cb -0.15 -3.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 2omd s PHE 134 CO -0.07 -1.48 0.00 1.63 -0.10 0.00 0.00 175.22 175.20