#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yll s GLU 3 N 0.00 1.23 -0.07 -1.46 2.02 0.15 -5.00 118.70 115.56 1yll s GLU 3 Ca 0.00 -0.77 -0.01 0.00 0.02 0.00 0.00 54.97 54.21 1yll s GLU 3 Cb 0.00 -1.26 0.03 0.00 0.10 0.00 0.00 34.13 33.00 1yll s GLU 3 CO 0.00 0.33 -0.02 -1.17 0.02 0.00 0.00 175.26 174.42 1yll s LEU 4 N -0.91 0.77 0.06 1.80 1.98 -1.26 -0.32 118.68 120.81 1yll s LEU 4 Ca 0.05 -0.12 0.04 0.00 -2.89 0.00 0.00 54.13 51.21 1yll s LEU 4 Cb -0.08 -0.50 -0.03 0.00 0.66 0.00 0.00 46.19 46.25 1yll s LEU 4 CO 0.01 -0.16 -0.12 -0.13 -1.89 0.00 0.00 176.35 174.06 1yll s ARG 5 N 1.79 0.73 -0.31 1.98 0.52 0.11 -5.00 118.95 118.76 1yll s ARG 5 Ca 0.03 -0.91 -0.03 0.00 -0.52 0.00 0.00 55.73 54.29 1yll s ARG 5 Cb -0.13 -0.61 0.05 0.00 0.52 0.00 0.00 34.95 34.78 1yll s ARG 5 CO -0.05 0.13 0.03 0.42 0.02 0.00 0.00 175.30 175.85 1yll s ILE 6 N -1.45 3.21 -0.03 1.52 1.01 -1.26 -0.33 121.20 123.86 1yll s ILE 6 Ca -0.04 -1.34 -0.25 0.00 0.00 0.00 0.00 60.65 59.03 1yll s ILE 6 Cb -0.09 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 1yll s ILE 6 CO 0.01 -0.15 0.75 -0.76 0.00 0.00 0.00 174.94 174.80 1yll s LEU 7 N 1.29 4.35 -0.14 2.97 1.43 0.89 -4.94 118.68 124.53 1yll s LEU 7 Ca -0.04 1.31 -0.08 0.00 -1.03 0.00 0.00 54.13 54.28 1yll s LEU 7 Cb -0.20 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 1yll s LEU 7 CO -0.00 -0.10 0.16 -0.13 0.23 0.00 0.00 176.35 176.50 1yll s ARG 8 N 0.63 3.69 0.50 1.70 1.81 -1.26 -0.84 118.95 125.18 1yll s ARG 8 Ca 0.40 -0.12 0.16 0.00 -1.72 0.00 0.00 55.73 54.45 1yll s ARG 8 Cb -0.19 -3.26 1.20 0.00 -0.45 0.00 0.00 34.95 32.26 1yll s ARG 8 CO 0.20 0.63 2.10 0.00 -0.68 0.00 0.00 175.30 177.55 1yll h ALA 9 N 5.48 2.03 0.00 2.13 0.00 -1.86 -0.92 119.26 126.12 1yll h ALA 9 Ca -0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1yll h ALA 9 Cb 1.21 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1yll h ALA 9 CO 0.64 -0.06 -0.01 -0.24 0.00 0.00 0.00 179.25 179.58 1yll h VAL 10 N 0.12 0.39 -0.69 0.00 3.04 -1.94 -2.20 116.25 114.97 1yll h VAL 10 Ca 0.08 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 1yll h VAL 10 Cb 0.18 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 1yll h VAL 10 CO -0.01 0.01 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 1yll n ASP 11 N -3.63 3.91 -4.77 3.17 8.00 -0.35 -4.99 116.55 117.89 1yll n ASP 11 Ca -0.03 -2.00 -0.38 0.00 0.71 0.00 0.00 54.79 53.09 1yll n ASP 11 Cb 0.09 -0.46 -0.05 0.00 -0.02 0.00 0.00 41.12 40.68 1yll n ASP 11 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1yll s TYR 12 N -1.08 3.51 0.96 1.24 4.12 -0.83 -5.02 117.35 120.25 1yll s TYR 12 Ca 0.48 1.72 -0.15 0.00 0.02 0.00 0.00 57.07 59.14 1yll s TYR 12 Cb 0.25 -3.10 0.18 0.00 -1.52 0.00 0.00 41.96 37.78 1yll s TYR 12 CO 0.34 -0.30 1.25 -1.25 0.02 0.00 0.00 175.55 175.61 1yll s PRO 13 N -2.03 0.73 0.35 -1.71 0.04 -1.26 -4.97 135.00 126.15 1yll s PRO 13 Ca 0.51 -0.20 0.01 0.00 0.04 0.00 0.00 61.00 61.36 1yll s PRO 13 Cb -0.24 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1yll s PRO 13 CO 0.30 -2.39 0.44 0.50 0.04 0.00 0.00 177.00 175.90 1yll s ARG 14 N -5.71 1.93 -0.03 4.56 3.52 -1.26 -3.94 118.95 118.02 1yll s ARG 14 Ca 0.70 -1.86 -0.03 0.00 -0.13 0.00 0.00 55.73 54.41 1yll s ARG 14 Cb -0.07 0.42 0.01 0.00 -1.56 0.00 0.00 34.95 33.75 1yll s ARG 14 CO 0.53 -0.79 0.09 -2.14 -0.81 0.00 0.00 175.30 172.18 1yll s PRO 16 N -3.03 0.14 0.17 5.12 0.02 -1.26 -4.96 135.00 131.21 1yll s PRO 16 Ca 0.33 0.07 -0.30 0.00 0.02 0.00 0.00 61.00 61.12 1yll s PRO 16 Cb -0.00 0.07 -0.08 0.00 0.02 0.00 0.00 34.50 34.51 1yll s PRO 16 CO 0.23 -0.02 1.20 -1.58 -0.33 0.00 0.00 177.00 176.50 1yll s TRP 17 N -0.09 3.42 0.60 6.54 0.51 0.87 -4.90 118.94 125.90 1yll s TRP 17 Ca -0.01 1.40 0.28 0.00 -2.12 0.00 0.00 56.10 55.65 1yll s TRP 17 Cb -0.01 -3.43 1.43 0.00 -0.81 0.00 0.00 33.47 30.65 1yll s TRP 17 CO 0.00 -1.24 1.84 1.57 -0.51 0.00 0.00 176.95 178.62 1yll h LYS 18 N 5.43 0.00 -0.01 4.98 2.10 -2.04 0.70 116.57 127.73 1yll h LYS 18 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1yll h LYS 18 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1yll h LYS 18 CO 0.75 0.00 -0.08 0.27 -2.00 0.00 0.00 179.45 178.39 1yll n ASN 19 N -3.59 1.23 0.00 7.07 6.94 -1.26 -4.95 115.26 120.70 1yll n ASN 19 Ca 0.09 -1.24 0.00 0.00 -0.02 0.00 0.00 54.58 53.40 1yll n ASN 19 Cb 0.72 0.03 0.00 0.00 -2.36 0.00 0.00 39.78 38.17 1yll n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1yll n GLY 20 N 1.22 0.27 0.14 4.83 0.00 0.25 -4.87 105.19 107.03 1yll n GLY 20 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 1yll n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yll n ALA 21 N 1.00 2.82 0.00 4.61 0.00 -1.26 -4.93 120.51 122.75 1yll n ALA 21 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1yll n ALA 21 Cb 0.22 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1yll n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yll n GLY 22 N 1.30 -1.26 3.21 0.00 0.00 -1.26 -1.10 105.19 106.08 1yll n GLY 22 Ca 0.14 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1yll n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yll s SER 23 N -4.00 0.07 -0.07 1.61 1.04 -0.56 -0.09 113.70 111.69 1yll s SER 23 Ca 0.00 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 55.89 1yll s SER 23 Cb 0.00 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.48 1yll s SER 23 CO 0.00 -0.71 -0.14 -0.89 0.98 0.00 0.00 173.24 172.48 1yll s THR 24 N -3.62 1.31 -0.42 2.02 2.01 -1.26 -0.72 115.64 114.97 1yll s THR 24 Ca 0.03 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.38 1yll s THR 24 Cb 0.04 -1.18 0.09 0.00 0.01 0.00 0.00 72.50 71.46 1yll s THR 24 CO -0.10 0.39 0.24 -1.61 -0.69 0.00 0.00 174.62 172.86 1yll s GLU 25 N 0.62 2.40 -0.05 4.92 2.02 0.10 -4.27 118.70 124.43 1yll s GLU 25 Ca -0.15 -1.60 -0.30 0.00 0.02 0.00 0.00 54.97 52.94 1yll s GLU 25 Cb -0.16 -3.70 -0.04 0.00 0.10 0.00 0.00 34.13 30.32 1yll s GLU 25 CO 0.04 -1.01 1.40 -2.00 0.02 0.00 0.00 175.26 173.72 1yll s GLU 26 N 1.32 4.26 -0.08 1.61 2.12 -1.25 -0.63 118.70 126.05 1yll s GLU 26 Ca 0.04 1.91 -0.21 0.00 0.36 0.00 0.00 54.97 57.07 1yll s GLU 26 Cb -0.23 -3.69 -0.29 0.00 0.26 0.00 0.00 34.13 30.17 1yll s GLU 26 CO -0.01 -0.64 0.76 0.82 -0.54 0.00 0.00 175.26 175.65 1yll h ILE 27 N 5.18 1.38 -2.12 -3.70 2.04 -1.22 -3.36 117.51 115.71 1yll h ILE 27 Ca -0.35 -2.47 0.17 0.00 1.00 0.00 0.00 64.86 63.21 1yll h ILE 27 Cb 1.16 3.04 -0.13 0.00 -0.74 0.00 0.00 36.82 40.15 1yll h ILE 27 CO 0.93 0.69 0.56 0.00 0.00 0.00 0.00 178.15 180.33 1yll s ALA 28 N -2.42 -1.85 0.12 1.87 0.00 -1.07 -5.01 121.76 113.40 1yll s ALA 28 Ca -0.16 0.81 -0.20 0.00 0.00 0.00 0.00 51.96 52.40 1yll s ALA 28 Cb 0.02 0.41 0.05 0.00 0.00 0.00 0.00 23.12 23.60 1yll s ALA 28 CO 0.79 -0.81 0.50 -0.98 0.00 0.00 0.00 175.76 175.27 1yll s ARG 29 N -3.01 1.14 0.09 0.00 1.70 -1.26 -0.77 118.95 116.83 1yll s ARG 29 Ca 0.08 -0.50 -0.06 0.00 -0.47 0.00 0.00 55.73 54.79 1yll s ARG 29 Cb -0.01 0.51 -0.22 0.00 -0.57 0.00 0.00 34.95 34.67 1yll s ARG 29 CO -0.05 -0.46 1.19 0.38 -1.08 0.00 0.00 175.30 175.29 1yll h ASP 30 N 2.34 0.53 -1.05 -2.89 -0.00 -1.80 -3.49 116.42 110.05 1yll h ASP 30 Ca -0.33 -0.50 0.16 0.00 -0.00 0.00 0.00 57.03 56.36 1yll h ASP 30 Cb 1.26 -0.17 -0.03 0.00 -0.00 0.00 0.00 39.33 40.40 1yll h ASP 30 CO 0.42 1.35 0.42 0.61 -0.00 0.00 0.00 179.24 182.05 1yll n GLY 31 N 1.31 0.42 0.00 7.15 0.00 -1.26 -4.97 105.19 107.84 1yll n GLY 31 Ca -0.09 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1yll n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yll n GLY 32 N -0.43 -0.74 3.09 -0.02 0.00 -1.26 -3.48 105.19 102.35 1yll n GLY 32 Ca 0.02 -1.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.13 1yll n GLY 32 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1yll s ASP 33 N -1.78 1.36 0.39 1.61 -4.77 -1.24 -4.93 116.67 107.31 1yll s ASP 33 Ca 0.00 -0.34 0.00 0.00 -3.30 0.00 0.00 52.55 48.91 1yll s ASP 33 Cb 0.00 -0.10 0.00 0.00 -1.09 0.00 0.00 42.92 41.73 1yll s ASP 33 CO 0.00 0.05 0.00 0.61 0.70 0.00 0.00 175.17 176.53 1yll n GLY 34 N 2.29 -1.44 0.69 2.12 0.00 -1.26 -3.94 105.19 103.65 1yll n GLY 34 Ca -0.16 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1yll n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yll n LEU 35 N 0.00 1.46 -3.71 0.99 7.99 -1.26 -4.81 117.00 117.66 1yll n LEU 35 Ca 0.00 -0.73 -0.08 0.00 -0.01 0.00 0.00 56.01 55.19 1yll n LEU 35 Cb 0.00 -0.41 -0.02 0.00 -0.11 0.00 0.00 43.42 42.88 1yll n LEU 35 CO 0.00 0.29 0.49 1.51 -1.51 0.00 0.00 177.39 178.17 1yll s ASP 36 N 0.27 -0.34 0.00 -1.43 3.84 -1.25 -4.97 116.67 112.79 1yll s ASP 36 Ca 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 52.55 52.16 1yll s ASP 36 Cb 0.00 0.65 0.00 0.00 -1.38 0.00 0.00 42.92 42.19 1yll s ASP 36 CO 0.00 -1.16 0.00 0.61 -0.00 0.00 0.00 175.17 174.62 1yll n GLY 37 N -0.43 2.56 3.88 2.12 0.00 -1.26 -3.73 105.19 108.34 1yll n GLY 37 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1yll n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1yll s PHE 38 N -2.56 3.46 0.05 1.61 -0.12 -1.23 -4.37 117.98 114.82 1yll s PHE 38 Ca 0.00 0.89 -0.05 0.00 -0.05 0.00 0.00 56.93 57.72 1yll s PHE 38 Cb 0.00 -2.31 -0.29 0.00 -0.63 0.00 0.00 43.02 39.80 1yll s PHE 38 CO 0.00 0.05 1.05 0.78 -0.05 0.00 0.00 175.22 177.04 1yll h GLY 39 N 1.61 0.33 -3.34 1.99 0.00 -1.93 -3.43 103.07 98.30 1yll h GLY 39 Ca -0.47 -0.84 -0.05 0.00 0.00 0.00 0.00 47.33 45.97 1yll h GLY 39 CO 0.65 0.74 0.06 0.66 0.00 0.00 0.00 176.54 178.65 1yll s TRP 40 N -2.64 -0.41 -0.11 5.60 1.48 -1.26 -0.31 118.94 121.29 1yll s TRP 40 Ca -0.06 0.31 -0.09 0.00 -1.06 0.00 0.00 56.10 55.20 1yll s TRP 40 Cb 0.07 0.38 0.03 0.00 -1.16 0.00 0.00 33.47 32.79 1yll s TRP 40 CO 0.88 -0.71 0.28 0.50 -4.06 0.00 0.00 176.95 173.84 1yll s ARG 41 N -3.10 0.30 -0.05 3.25 3.52 0.07 -2.02 118.95 120.93 1yll s ARG 41 Ca -0.02 0.46 0.07 0.00 -0.13 0.00 0.00 55.73 56.11 1yll s ARG 41 Cb -0.00 0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.45 1yll s ARG 41 CO -0.07 -0.08 -0.25 -0.51 -0.81 0.00 0.00 175.30 173.58 1yll s LEU 42 N 0.52 2.06 0.23 -0.88 1.43 0.05 -1.28 118.68 120.81 1yll s LEU 42 Ca -0.03 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.42 1yll s LEU 42 Cb -0.05 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 44.85 1yll s LEU 42 CO -0.03 0.26 0.53 -0.94 0.23 0.00 0.00 176.35 176.40 1yll s SER 43 N -0.29 -0.18 0.12 2.29 1.04 -0.22 -0.64 113.70 115.83 1yll s SER 43 Ca 0.00 -0.70 0.10 0.00 0.48 0.00 0.00 55.95 55.84 1yll s SER 43 Cb -0.12 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1yll s SER 43 CO 0.02 -1.13 -0.24 -0.63 0.98 0.00 0.00 173.24 172.24 1yll s ILE 44 N -3.94 2.43 0.04 -1.02 1.01 0.20 -0.39 121.20 119.53 1yll s ILE 44 Ca 0.15 -1.65 0.02 0.00 0.00 0.00 0.00 60.65 59.16 1yll s ILE 44 Cb -0.01 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 1yll s ILE 44 CO 0.04 0.11 -0.07 0.00 0.00 0.00 0.00 174.94 175.02 1yll s ALA 45 N -1.07 0.53 -0.24 9.38 0.00 -0.39 0.03 121.76 130.00 1yll s ALA 45 Ca 0.15 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 1yll s ALA 45 Cb -0.10 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1yll s ALA 45 CO 0.07 -0.07 0.02 -0.51 0.00 0.00 0.00 175.76 175.27 1yll s ASP 46 N -1.70 4.75 -0.41 0.00 1.11 0.10 -0.88 116.67 119.64 1yll s ASP 46 Ca -0.09 -0.30 -0.06 0.00 0.18 0.00 0.00 52.55 52.28 1yll s ASP 46 Cb -0.08 -1.84 0.09 0.00 1.07 0.00 0.00 42.92 42.16 1yll s ASP 46 CO -0.00 -0.03 0.22 -0.69 1.18 0.00 0.00 175.17 175.84 1yll s VAL 47 N 1.55 3.71 0.01 -1.27 1.01 -0.13 -1.50 120.40 123.79 1yll s VAL 47 Ca 0.06 -1.70 0.11 0.00 0.00 0.00 0.00 61.98 60.45 1yll s VAL 47 Cb -0.15 -3.38 -0.18 0.00 0.00 0.00 0.00 36.38 32.67 1yll s VAL 47 CO 0.00 -0.56 1.03 1.23 0.00 0.00 0.00 175.10 176.81 1yll h GLY 48 N 8.23 0.00 -3.90 4.51 0.00 -1.38 -1.85 103.07 108.66 1yll h GLY 48 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 1yll h GLY 48 CO 0.72 0.00 -0.68 -0.54 0.00 0.00 0.00 176.54 176.04 1yll s GLU 49 N -2.72 0.50 0.74 4.80 0.41 -1.04 -4.40 118.70 116.99 1yll s GLU 49 Ca -0.01 -0.98 -0.13 0.00 -0.41 0.00 0.00 54.97 53.44 1yll s GLU 49 Cb 0.09 0.17 0.04 0.00 -1.78 0.00 0.00 34.13 32.66 1yll s GLU 49 CO 0.81 -0.09 1.14 -1.12 -0.49 0.00 0.00 175.26 175.51 1yll s SER 50 N -2.36 4.41 0.00 -0.19 0.01 -1.26 -4.91 113.70 109.40 1yll s SER 50 Ca -0.02 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.34 1yll s SER 50 Cb 0.01 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1yll s SER 50 CO -0.07 -2.11 0.00 0.61 0.41 0.00 0.00 173.24 172.09 1yll n GLY 51 N -0.27 1.57 3.80 3.44 0.00 -0.31 -4.97 105.19 108.46 1yll n GLY 51 Ca 0.11 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 1yll n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yll s GLY 52 N 0.00 1.99 -0.11 -0.02 0.00 -1.26 -0.63 107.32 107.28 1yll s GLY 52 Ca 0.00 0.31 -0.05 0.00 0.00 0.00 0.00 44.72 44.99 1yll s GLY 52 CO 0.00 0.63 0.07 -1.36 0.00 0.00 0.00 173.10 172.44 1yll s PHE 53 N -2.62 3.37 0.72 1.90 2.99 -0.33 -4.87 117.98 119.15 1yll s PHE 53 Ca 0.62 0.34 -0.14 0.00 0.00 0.00 0.00 56.93 57.75 1yll s PHE 53 Cb -0.16 -1.89 0.03 0.00 0.00 0.00 0.00 43.02 41.01 1yll s PHE 53 CO 0.43 0.56 1.14 -1.12 -0.00 0.00 0.00 175.22 176.23 1yll s SER 54 N -0.82 4.55 0.57 1.36 0.01 -1.26 -4.55 113.70 113.55 1yll s SER 54 Ca 0.13 2.10 -0.04 0.00 1.31 0.00 0.00 55.95 59.46 1yll s SER 54 Cb -0.12 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.57 1yll s SER 54 CO 0.03 -2.01 0.85 -0.83 0.41 0.00 0.00 173.24 171.68 1yll s GLY 55 N -2.53 1.63 -0.44 3.44 0.00 -1.26 -5.02 107.32 103.15 1yll s GLY 55 Ca 0.68 -0.88 0.06 0.00 0.00 0.00 0.00 44.72 44.58 1yll s GLY 55 CO 0.46 -0.61 0.46 0.69 0.00 0.00 0.00 173.10 174.10 1yll n PHE 56 N -2.49 -0.06 -1.62 1.90 3.01 -0.28 -5.05 117.46 112.87 1yll n PHE 56 Ca 0.05 -3.55 -0.55 0.00 1.01 0.00 0.00 57.45 54.41 1yll n PHE 56 Cb 0.58 -0.13 -0.07 0.00 -0.01 0.00 0.00 39.48 39.85 1yll n PHE 56 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yll n ALA 57 N 1.98 -1.08 -0.85 4.37 0.00 -1.22 -1.13 120.51 122.58 1yll n ALA 57 Ca 0.25 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.18 1yll n ALA 57 Cb 0.49 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1yll n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yll n GLY 58 N 2.94 0.84 3.68 0.00 0.00 -1.26 -4.96 105.19 106.44 1yll n GLY 58 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1yll n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yll s TYR 59 N -3.30 2.95 -0.12 1.61 1.51 -0.28 -4.47 117.35 115.25 1yll s TYR 59 Ca 0.00 -0.06 -0.08 0.00 -1.01 0.00 0.00 57.07 55.92 1yll s TYR 59 Cb 0.00 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 1yll s TYR 59 CO 0.00 0.49 0.17 -1.14 -1.11 0.00 0.00 175.55 173.95 1yll s GLN 60 N -2.50 3.59 0.08 -0.62 2.00 -0.12 0.22 119.66 122.31 1yll s GLN 60 Ca 0.26 -0.08 0.08 0.00 -2.00 0.00 0.00 55.36 53.62 1yll s GLN 60 Cb -0.11 -3.22 -0.03 0.00 0.80 0.00 0.00 33.01 30.45 1yll s GLN 60 CO 0.18 0.71 -0.22 1.03 -0.50 0.00 0.00 175.29 176.49 1yll s ARG 61 N -0.85 1.33 -0.05 1.67 0.52 -0.25 -1.01 118.95 120.31 1yll s ARG 61 Ca 0.15 -1.10 -0.01 0.00 -0.52 0.00 0.00 55.73 54.25 1yll s ARG 61 Cb -0.12 -1.57 0.03 0.00 0.52 0.00 0.00 34.95 33.80 1yll s ARG 61 CO 0.04 0.38 0.01 0.42 0.02 0.00 0.00 175.30 176.18 1yll s ILE 62 N -0.98 0.23 0.07 1.52 1.01 -0.19 -1.33 121.20 121.53 1yll s ILE 62 Ca 0.08 0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.98 1yll s ILE 62 Cb -0.10 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 1yll s ILE 62 CO 0.03 0.21 -0.24 -0.51 0.00 0.00 0.00 174.94 174.43 1yll s ILE 63 N 1.66 1.96 -0.01 2.92 2.07 0.22 -1.21 121.20 128.81 1yll s ILE 63 Ca -0.01 -1.43 0.00 0.00 -1.41 0.00 0.00 60.65 57.81 1yll s ILE 63 Cb -0.13 -1.71 0.01 0.00 0.13 0.00 0.00 42.46 40.76 1yll s ILE 63 CO -0.03 0.20 -0.01 -0.44 -1.91 0.00 0.00 174.94 172.75 1yll s SER 64 N -1.48 0.18 0.33 4.50 0.01 -0.32 -0.26 113.70 116.65 1yll s SER 64 Ca 0.10 -0.02 -0.27 0.00 1.31 0.00 0.00 55.95 57.08 1yll s SER 64 Cb -0.10 -0.05 -0.09 0.00 0.21 0.00 0.00 66.02 65.99 1yll s SER 64 CO 0.03 -0.02 1.00 -0.69 0.41 0.00 0.00 173.24 173.97 1yll s VAL 65 N 0.27 3.92 -0.16 3.43 1.01 -1.26 -0.13 120.40 127.47 1yll s VAL 65 Ca -0.02 1.65 -0.07 0.00 0.00 0.00 0.00 61.98 63.54 1yll s VAL 65 Cb -0.04 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 1yll s VAL 65 CO -0.01 0.18 -0.20 0.18 0.00 0.00 0.00 175.10 175.25 1yll n LEU 66 N 0.60 1.35 -4.04 3.92 4.77 0.95 -0.13 117.00 124.42 1yll n LEU 66 Ca 0.02 0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 56.06 1yll n LEU 66 Cb 0.49 -0.49 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1yll n LEU 66 CO 0.47 0.39 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.92 1yll s GLU 67 N -2.30 0.47 0.00 3.23 2.02 -1.05 -4.78 118.70 116.29 1yll s GLU 67 Ca -0.23 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 53.99 1yll s GLU 67 Cb 0.08 -0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.22 1yll s GLU 67 CO 0.30 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.98 1yll n GLY 68 N 1.32 1.38 0.25 -1.39 0.00 -1.26 -1.90 105.19 103.58 1yll n GLY 68 Ca -0.22 -2.16 -0.06 0.00 0.00 0.00 0.00 46.02 43.58 1yll n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yll h GLY 69 N 0.00 0.67 0.00 -0.02 0.00 -1.82 -3.43 103.07 98.47 1yll h GLY 69 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1yll h GLY 69 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 176.54 177.67 1yll n GLY 70 N -0.26 0.75 2.90 4.60 0.00 -1.26 -4.70 105.19 107.22 1yll n GLY 70 Ca -0.00 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 1yll n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yll s ARG 72 N -1.45 0.06 -0.15 1.61 0.52 -0.32 -1.96 118.95 117.26 1yll s ARG 72 Ca 0.00 0.20 -0.03 0.00 -0.52 0.00 0.00 55.73 55.39 1yll s ARG 72 Cb 0.00 -0.09 -0.02 0.00 0.52 0.00 0.00 34.95 35.36 1yll s ARG 72 CO 0.00 -0.09 -0.06 -0.51 0.02 0.00 0.00 175.30 174.66 1yll s LEU 73 N 0.61 3.09 -0.35 2.53 1.43 -1.26 -1.07 118.68 123.66 1yll s LEU 73 Ca -0.05 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 1yll s LEU 73 Cb -0.07 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.43 1yll s LEU 73 CO -0.02 0.16 0.21 -0.60 0.23 0.00 0.00 176.35 176.33 1yll s ARG 74 N 0.39 3.13 -0.25 1.70 3.52 -0.05 -0.34 118.95 127.04 1yll s ARG 74 Ca -0.06 -0.88 -0.05 0.00 -0.13 0.00 0.00 55.73 54.61 1yll s ARG 74 Cb -0.15 -3.72 -0.00 0.00 -1.56 0.00 0.00 34.95 29.52 1yll s ARG 74 CO 0.04 -0.57 0.01 0.08 -0.81 0.00 0.00 175.30 174.04 1yll s VAL 75 N 1.62 3.59 -1.65 7.11 1.01 0.02 -1.17 120.40 130.93 1yll s VAL 75 Ca 0.04 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1yll s VAL 75 Cb -0.18 -2.74 0.12 0.00 0.00 0.00 0.00 36.38 33.58 1yll s VAL 75 CO 0.08 0.28 0.59 0.47 0.00 0.00 0.00 175.10 176.51 1yll n ASP 76 N 4.81 -1.94 0.00 3.32 8.00 0.35 -0.62 116.55 130.47 1yll n ASP 76 Ca -0.17 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.25 1yll n ASP 76 Cb 0.49 -2.50 0.00 0.00 -0.02 0.00 0.00 41.12 39.10 1yll n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yll n GLY 77 N -1.61 2.54 3.59 0.44 0.00 -1.26 -5.03 105.19 103.85 1yll n GLY 77 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1yll n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yll s ALA 78 N -2.21 3.53 -0.10 4.61 0.00 0.21 -5.04 121.76 122.75 1yll s ALA 78 Ca 0.00 -0.84 -0.27 0.00 0.00 0.00 0.00 51.96 50.85 1yll s ALA 78 Cb 0.00 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 1yll s ALA 78 CO 0.00 -0.97 0.87 -1.21 0.00 0.00 0.00 175.76 174.45 1yll s GLU 79 N 2.32 4.41 1.10 0.00 2.02 -1.26 -0.80 118.70 126.48 1yll s GLU 79 Ca 0.19 1.15 -0.17 0.00 0.02 0.00 0.00 54.97 56.16 1yll s GLU 79 Cb -0.16 -3.52 0.24 0.00 0.10 0.00 0.00 34.13 30.80 1yll s GLU 79 CO 0.11 -0.19 1.13 -1.54 0.02 0.00 0.00 175.26 174.80 1yll s SER 80 N 1.04 1.81 0.85 -0.19 1.04 0.54 -4.98 113.70 113.81 1yll s SER 80 Ca 0.43 0.74 -0.13 0.00 0.48 0.00 0.00 55.95 57.48 1yll s SER 80 Cb -0.18 -1.09 0.11 0.00 0.10 0.00 0.00 66.02 64.95 1yll s SER 80 CO 0.18 -3.58 1.19 0.00 0.98 0.00 0.00 173.24 172.00 1yll s ALA 81 N -3.13 2.45 0.11 5.32 0.00 -1.26 -4.67 121.76 120.58 1yll s ALA 81 Ca 0.69 -0.70 -0.31 0.00 0.00 0.00 0.00 51.96 51.64 1yll s ALA 81 Cb -0.12 -2.95 -0.09 0.00 0.00 0.00 0.00 23.12 19.96 1yll s ALA 81 CO 0.56 -1.88 1.66 -2.14 0.00 0.00 0.00 175.76 173.96 1yll s PRO 82 N -5.57 4.19 -0.32 0.00 0.02 -1.26 -4.66 135.00 127.40 1yll s PRO 82 Ca 0.64 2.40 -0.12 0.00 0.02 0.00 0.00 61.00 63.94 1yll s PRO 82 Cb -0.11 -3.44 -0.02 0.00 0.02 0.00 0.00 34.50 30.95 1yll s PRO 82 CO 0.50 -0.72 0.21 -0.51 -0.33 0.00 0.00 177.00 176.16 1yll s LEU 83 N 2.14 4.32 0.00 -5.54 1.43 -1.26 -5.03 118.68 114.74 1yll s LEU 83 Ca 0.74 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.56 1yll s LEU 83 Cb -0.43 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 43.72 1yll s LEU 83 CO 0.33 -0.18 0.35 0.54 0.23 0.00 0.00 176.35 177.62 1yll n ARG 84 N 5.08 0.78 -1.56 1.70 1.74 -1.26 -4.31 116.66 118.83 1yll n ARG 84 Ca -0.13 -3.02 -0.51 0.00 -0.77 0.00 0.00 57.85 53.42 1yll n ARG 84 Cb 0.50 0.34 -0.05 0.00 -1.02 0.00 0.00 32.46 32.23 1yll n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yll n ALA 85 N -1.99 -1.24 -1.76 7.54 0.00 -1.26 -1.99 120.51 119.81 1yll n ALA 85 Ca -0.15 0.49 -0.21 0.00 0.00 0.00 0.00 53.44 53.57 1yll n ALA 85 Cb 0.55 -1.99 -0.07 0.00 0.00 0.00 0.00 19.45 17.93 1yll n ALA 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yll n ARG 86 N 1.91 -1.50 -3.40 0.00 1.74 0.81 -4.91 116.66 111.30 1yll n ARG 86 Ca 0.17 1.19 -0.44 0.00 -0.77 0.00 0.00 57.85 57.99 1yll n ARG 86 Cb 0.21 -5.63 -0.05 0.00 -1.02 0.00 0.00 32.46 25.97 1yll n ARG 86 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1yll s GLN 87 N -4.01 2.99 0.50 5.56 -0.21 -0.84 -4.90 119.66 118.73 1yll s GLN 87 Ca 0.00 -1.97 -0.22 0.00 0.02 0.00 0.00 55.36 53.18 1yll s GLN 87 Cb 0.00 -4.20 -0.06 0.00 1.00 0.00 0.00 33.01 29.75 1yll s GLN 87 CO 0.00 -1.28 1.26 0.00 -2.12 0.00 0.00 175.29 173.15 1yll s ALA 88 N 1.06 2.91 -0.07 6.09 0.00 -1.26 -4.53 121.76 125.97 1yll s ALA 88 Ca 0.08 1.13 -0.03 0.00 0.00 0.00 0.00 51.96 53.15 1yll s ALA 88 Cb -0.23 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.45 1yll s ALA 88 CO -0.01 -1.00 0.14 0.12 0.00 0.00 0.00 175.76 175.01 1yll s PHE 89 N -1.42 -0.14 -0.06 0.00 5.36 0.64 -4.95 117.98 117.41 1yll s PHE 89 Ca 0.67 0.49 -0.03 0.00 -0.96 0.00 0.00 56.93 57.09 1yll s PHE 89 Cb -0.34 -0.18 -0.04 0.00 -0.34 0.00 0.00 43.02 42.12 1yll s PHE 89 CO 0.41 -0.20 0.11 0.00 -1.46 0.00 0.00 175.22 174.09 1yll s ALA 90 N 1.62 3.73 0.14 11.12 0.00 -1.26 -0.61 121.76 136.49 1yll s ALA 90 Ca -0.04 -0.76 -0.24 0.00 0.00 0.00 0.00 51.96 50.92 1yll s ALA 90 Cb -0.12 -1.77 0.07 0.00 0.00 0.00 0.00 23.12 21.31 1yll s ALA 90 CO -0.05 0.67 0.62 -0.59 0.00 0.00 0.00 175.76 176.40 1yll s PHE 91 N -1.12 -0.54 0.28 0.00 -0.12 -0.44 -5.01 117.98 111.03 1yll s PHE 91 Ca 0.20 0.38 -0.29 0.00 -0.05 0.00 0.00 56.93 57.17 1yll s PHE 91 Cb -0.12 0.55 -0.09 0.00 -0.63 0.00 0.00 43.02 42.73 1yll s PHE 91 CO 0.10 -0.82 0.99 0.45 -0.05 0.00 0.00 175.22 175.89 1yll s SER 92 N -2.63 7.42 0.00 1.98 0.15 -1.26 -1.09 113.70 118.27 1yll s SER 92 Ca 0.00 2.01 0.21 0.00 0.70 0.00 0.00 55.95 58.87 1yll s SER 92 Cb -0.01 -2.61 0.94 0.00 -1.71 0.00 0.00 66.02 62.63 1yll s SER 92 CO -0.11 -0.01 1.67 0.61 1.20 0.00 0.00 173.24 176.59 1yll n GLY 93 N 1.13 -1.15 0.02 9.45 0.00 0.13 -2.11 105.19 112.65 1yll n GLY 93 Ca -0.00 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1yll n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yll n ASP 94 N -1.44 0.49 -4.86 1.61 8.00 -1.26 -1.12 116.55 117.97 1yll n ASP 94 Ca 0.06 -0.08 -0.31 0.00 0.71 0.00 0.00 54.79 55.17 1yll n ASP 94 Cb 0.22 0.15 0.03 0.00 -0.02 0.00 0.00 41.12 41.50 1yll n ASP 94 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1yll s SER 95 N -3.29 5.90 -0.24 -2.24 0.01 -0.90 -5.02 113.70 107.92 1yll s SER 95 Ca 0.10 1.44 -0.18 0.00 1.31 0.00 0.00 55.95 58.62 1yll s SER 95 Cb 0.17 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 1yll s SER 95 CO 0.69 -1.09 0.49 -0.70 0.41 0.00 0.00 173.24 173.04 1yll s GLU 96 N -5.16 4.10 -0.04 12.44 -6.30 -1.26 -4.84 118.70 117.64 1yll s GLU 96 Ca 0.56 0.31 0.03 0.00 -2.50 0.00 0.00 54.97 53.38 1yll s GLU 96 Cb -0.12 -3.62 0.00 0.00 0.00 0.00 0.00 34.13 30.39 1yll s GLU 96 CO 0.54 -0.27 -0.14 0.08 0.02 0.00 0.00 175.26 175.49 1yll s VAL 97 N 2.05 1.17 -0.05 3.70 1.01 -1.26 -0.49 120.40 126.53 1yll s VAL 97 Ca 0.21 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.68 1yll s VAL 97 Cb -0.15 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 1yll s VAL 97 CO 0.09 0.35 -0.20 -2.28 0.00 0.00 0.00 175.10 173.05 1yll s HIS 98 N 0.16 2.01 -0.18 5.22 2.46 -0.31 -1.18 115.29 123.47 1yll s HIS 98 Ca -0.05 -0.58 -0.05 0.00 0.47 0.00 0.00 55.06 54.85 1yll s HIS 98 Cb -0.11 -1.33 -0.03 0.00 -0.13 0.00 0.00 32.58 30.98 1yll s HIS 98 CO 0.02 -0.18 0.01 0.00 -2.47 0.00 0.00 174.74 172.11 1yll s THR 100 N 0.59 2.98 0.02 0.00 2.01 -0.23 -1.16 115.64 119.85 1yll s THR 100 Ca -0.00 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.06 1yll s THR 100 Cb -0.14 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 1yll s THR 100 CO 0.02 0.45 1.02 -0.76 -0.69 0.00 0.00 174.62 174.67 1yll s LEU 101 N 1.42 4.37 0.26 4.42 1.43 -1.26 -1.17 118.68 128.16 1yll s LEU 101 Ca 0.05 1.74 0.19 0.00 -1.03 0.00 0.00 54.13 55.08 1yll s LEU 101 Cb -0.14 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.59 1yll s LEU 101 CO -0.06 -0.30 1.29 -0.07 0.23 0.00 0.00 176.35 177.44 1yll h LEU 102 N 6.75 0.00 -5.00 1.79 3.38 -1.77 -3.43 115.31 117.03 1yll h LEU 102 Ca -0.41 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.40 1yll h LEU 102 Cb 1.22 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.84 1yll h LEU 102 CO 0.76 0.28 -0.20 -0.67 0.09 0.00 0.00 178.44 178.70 1yll n ASP 103 N -3.02 -1.86 0.00 -0.43 -0.08 -1.26 -4.99 116.55 104.91 1yll n ASP 103 Ca -0.00 -2.68 0.00 0.00 -1.51 0.00 0.00 54.79 50.60 1yll n ASP 103 Cb 0.66 1.45 0.00 0.00 2.34 0.00 0.00 41.12 45.57 1yll n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yll n GLY 104 N 0.79 0.63 3.55 0.27 0.00 -1.26 -4.28 105.19 104.88 1yll n GLY 104 Ca 0.02 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.80 1yll n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yll n ALA 105 N 0.99 -0.85 -2.27 4.61 0.00 -1.26 -4.69 120.51 117.04 1yll n ALA 105 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 1yll n ALA 105 Cb 0.00 -2.00 -0.10 0.00 0.00 0.00 0.00 19.45 17.36 1yll n ALA 105 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1yll s ILE 106 N -1.89 0.00 -0.04 0.00 -4.36 -0.70 -4.59 121.20 109.63 1yll s ILE 106 Ca 0.69 -1.96 0.06 0.00 -0.26 0.00 0.00 60.65 59.18 1yll s ILE 106 Cb -0.34 -2.48 -0.01 0.00 1.25 0.00 0.00 42.46 40.88 1yll s ILE 106 CO 0.54 0.00 -0.20 -0.13 0.24 0.00 0.00 174.94 175.39 1yll s ARG 107 N -4.13 1.91 0.34 0.37 0.52 -0.80 -0.95 118.95 116.21 1yll s ARG 107 Ca 0.38 -0.73 0.04 0.00 -0.52 0.00 0.00 55.73 54.90 1yll s ARG 107 Cb 0.06 -1.72 -0.06 0.00 0.52 0.00 0.00 34.95 33.75 1yll s ARG 107 CO 0.12 0.36 0.06 0.16 0.02 0.00 0.00 175.30 176.02 1yll s ASP 108 N -0.23 2.54 -0.09 0.23 1.47 -0.06 -0.04 116.67 120.50 1yll s ASP 108 Ca 0.01 -1.39 0.02 0.00 1.18 0.00 0.00 52.55 52.37 1yll s ASP 108 Cb -0.11 -0.09 0.01 0.00 -0.34 0.00 0.00 42.92 42.40 1yll s ASP 108 CO 0.01 -0.60 -0.14 0.12 0.68 0.00 0.00 175.17 175.24 1yll s PHE 109 N -3.23 1.77 -0.02 2.11 5.36 0.81 -1.27 117.98 123.51 1yll s PHE 109 Ca 0.36 -0.78 0.05 0.00 -0.96 0.00 0.00 56.93 55.60 1yll s PHE 109 Cb 0.09 -1.29 -0.01 0.00 -0.34 0.00 0.00 43.02 41.46 1yll s PHE 109 CO 0.16 -0.41 -0.17 -0.80 -1.46 0.00 0.00 175.22 172.54 1yll s ASN 110 N 0.92 2.06 -0.08 6.13 0.01 0.47 -1.17 114.94 123.27 1yll s ASN 110 Ca -0.09 -0.32 0.05 0.00 -0.71 0.00 0.00 52.86 51.79 1yll s ASN 110 Cb -0.15 -0.33 -0.01 0.00 0.41 0.00 0.00 41.25 41.17 1yll s ASN 110 CO 0.00 0.19 -0.23 -0.22 -1.51 0.00 0.00 177.10 175.33 1yll s LEU 111 N -0.27 2.14 -0.07 0.60 0.20 -0.35 -1.05 118.68 119.88 1yll s LEU 111 Ca 0.04 -0.51 0.00 0.00 0.69 0.00 0.00 54.13 54.35 1yll s LEU 111 Cb -0.08 -1.41 0.02 0.00 -0.43 0.00 0.00 46.19 44.29 1yll s LEU 111 CO 0.00 0.21 -0.05 -0.63 -0.29 0.00 0.00 176.35 175.59 1yll s ILE 112 N 0.05 0.70 0.07 6.68 1.01 -0.40 -1.02 121.20 128.27 1yll s ILE 112 Ca -0.10 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 1yll s ILE 112 Cb -0.15 -0.73 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 1yll s ILE 112 CO 0.06 0.28 0.13 -0.72 0.00 0.00 0.00 174.94 174.69 1yll s TYR 113 N 1.25 0.22 -0.52 3.97 -0.85 -0.18 -0.75 117.35 120.48 1yll s TYR 113 Ca -0.05 -0.63 -0.25 0.00 -0.52 0.00 0.00 57.07 55.62 1yll s TYR 113 Cb -0.14 -0.14 0.04 0.00 0.38 0.00 0.00 41.96 42.10 1yll s TYR 113 CO -0.02 -0.47 0.95 0.00 -1.52 0.00 0.00 175.55 174.50 1yll s ALA 114 N -3.49 3.17 0.52 9.51 0.00 0.58 -0.94 121.76 131.11 1yll s ALA 114 Ca 0.02 -1.06 0.18 0.00 0.00 0.00 0.00 51.96 51.11 1yll s ALA 114 Cb 0.04 -3.72 1.32 0.00 0.00 0.00 0.00 23.12 20.76 1yll s ALA 114 CO -0.09 -2.29 2.14 -1.00 0.00 0.00 0.00 175.76 174.52 1yll h PRO 115 N 9.25 0.00 0.00 0.00 0.13 -1.80 0.09 132.00 139.67 1yll h PRO 115 Ca -0.25 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 1yll h PRO 115 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1yll h PRO 115 CO 1.07 0.03 -0.15 0.00 -0.23 0.00 0.00 178.00 178.72 1yll h ARG 116 N 0.00 0.00 -0.00 0.86 -0.00 -1.91 -3.31 114.38 110.02 1yll h ARG 116 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1yll h ARG 116 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.03 1yll h ARG 116 CO 0.00 0.15 -0.03 0.54 0.00 0.00 0.00 179.97 180.64 1yll n ARG 117 N -3.31 0.99 -3.81 0.04 1.74 -0.51 -5.04 116.66 106.77 1yll n ARG 117 Ca 0.00 -0.52 -0.13 0.00 -0.77 0.00 0.00 57.85 56.44 1yll n ARG 117 Cb 0.39 -0.96 -0.12 0.00 -1.02 0.00 0.00 32.46 30.75 1yll n ARG 117 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1yll s HIS 118 N -0.49 -0.21 0.20 -1.55 3.76 -0.10 -4.61 115.29 112.30 1yll s HIS 118 Ca 0.03 0.50 -0.10 0.00 -0.15 0.00 0.00 55.06 55.34 1yll s HIS 118 Cb 0.02 0.07 -0.07 0.00 1.11 0.00 0.00 32.58 33.71 1yll s HIS 118 CO 0.05 -0.10 0.54 1.03 -0.85 0.00 0.00 174.74 175.41 1yll s ARG 119 N 0.09 3.83 -0.00 1.40 0.52 0.15 -4.55 118.95 120.39 1yll s ARG 119 Ca -0.00 0.30 -0.04 0.00 -0.52 0.00 0.00 55.73 55.47 1yll s ARG 119 Cb -0.01 -2.73 -0.00 0.00 0.52 0.00 0.00 34.95 32.73 1yll s ARG 119 CO 0.00 0.37 0.08 0.00 0.02 0.00 0.00 175.30 175.77 1yll s ALA 120 N -1.72 -0.19 0.00 2.13 0.00 -1.26 -1.20 121.76 119.53 1yll s ALA 120 Ca 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1yll s ALA 120 Cb -0.12 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 1yll s ALA 120 CO 0.21 -0.15 -0.01 0.50 0.00 0.00 0.00 175.76 176.31 1yll s ARG 121 N -1.01 0.09 -0.06 0.00 3.52 0.19 -4.98 118.95 116.70 1yll s ARG 121 Ca -0.11 -0.13 -0.02 0.00 -0.13 0.00 0.00 55.73 55.34 1yll s ARG 121 Cb -0.06 -0.01 0.04 0.00 -1.56 0.00 0.00 34.95 33.35 1yll s ARG 121 CO 0.00 0.00 0.11 -1.17 -0.81 0.00 0.00 175.30 173.44 1yll s LEU 122 N -0.28 0.28 -0.10 -0.88 0.20 -1.26 -0.98 118.68 115.66 1yll s LEU 122 Ca -0.03 0.22 -0.04 0.00 0.69 0.00 0.00 54.13 54.97 1yll s LEU 122 Cb -0.02 0.13 0.05 0.00 -0.43 0.00 0.00 46.19 45.92 1yll s LEU 122 CO -0.00 -0.21 0.22 -1.58 -0.29 0.00 0.00 176.35 174.48 1yll s GLN 123 N 1.89 0.16 -0.02 1.98 0.74 -0.25 -4.98 119.66 119.18 1yll s GLN 123 Ca -0.00 0.51 -0.30 0.00 0.05 0.00 0.00 55.36 55.62 1yll s GLN 123 Cb -0.12 -0.14 -0.03 0.00 1.10 0.00 0.00 33.01 33.83 1yll s GLN 123 CO -0.05 -0.18 0.97 -1.58 -0.55 0.00 0.00 175.29 173.90 1yll s TRP 124 N 1.41 3.63 0.00 1.67 0.52 -1.26 -0.96 118.94 123.95 1yll s TRP 124 Ca -0.08 1.65 0.05 0.00 0.02 0.00 0.00 56.10 57.75 1yll s TRP 124 Cb -0.11 -3.11 -0.02 0.00 -1.15 0.00 0.00 33.47 29.08 1yll s TRP 124 CO -0.08 -0.04 -0.17 -0.51 0.02 0.00 0.00 176.95 176.17 1yll s LEU 125 N 1.18 2.07 -0.38 2.99 1.43 0.38 -4.98 118.68 121.38 1yll s LEU 125 Ca 0.51 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 53.14 1yll s LEU 125 Cb -0.20 -0.82 0.02 0.00 0.03 0.00 0.00 46.19 45.21 1yll s LEU 125 CO 0.26 0.17 0.22 -0.60 0.23 0.00 0.00 176.35 176.63 1yll s ARG 126 N -0.61 2.92 -0.37 1.70 3.52 -1.26 -0.94 118.95 123.90 1yll s ARG 126 Ca 0.06 -1.02 -0.22 0.00 -0.13 0.00 0.00 55.73 54.41 1yll s ARG 126 Cb -0.07 -3.77 0.01 0.00 -1.56 0.00 0.00 34.95 29.56 1yll s ARG 126 CO -0.00 -0.68 0.73 0.08 -0.81 0.00 0.00 175.30 174.62 1yll s VAL 127 N 1.59 4.78 -0.29 7.11 1.01 0.04 -4.92 120.40 129.72 1yll s VAL 127 Ca 0.03 0.72 -0.02 0.00 0.00 0.00 0.00 61.98 62.71 1yll s VAL 127 Cb -0.19 -4.17 0.10 0.00 0.00 0.00 0.00 36.38 32.11 1yll s VAL 127 CO 0.07 -0.42 0.10 -1.83 0.00 0.00 0.00 175.10 173.02 1yll s GLU 128 N 2.97 0.56 1.49 2.72 -1.05 -1.26 -1.83 118.70 122.31 1yll s GLU 128 Ca 0.29 -0.86 0.00 0.00 -0.15 0.00 0.00 54.97 54.24 1yll s GLU 128 Cb -0.14 -1.78 0.00 0.00 -0.44 0.00 0.00 34.13 31.78 1yll s GLU 128 CO 0.17 -0.96 0.00 0.41 0.95 0.00 0.00 175.26 175.83 1yll n GLY 129 N 4.98 1.28 3.14 -3.83 0.00 -0.04 -4.85 105.19 105.86 1yll n GLY 129 Ca -0.04 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 1yll n GLY 129 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yll s GLU 130 N 0.00 0.74 -0.12 1.61 2.02 -1.26 -0.45 118.70 121.24 1yll s GLU 130 Ca 0.00 -1.12 -0.23 0.00 0.02 0.00 0.00 54.97 53.63 1yll s GLU 130 Cb 0.00 -0.28 0.06 0.00 0.10 0.00 0.00 34.13 34.00 1yll s GLU 130 CO 0.00 0.02 0.57 -0.48 0.02 0.00 0.00 175.26 175.39 1yll s LEU 131 N -2.49 -0.19 0.20 1.80 0.05 -0.39 -5.00 118.68 112.67 1yll s LEU 131 Ca 0.04 0.80 -0.08 0.00 0.05 0.00 0.00 54.13 54.94 1yll s LEU 131 Cb -0.01 2.07 -0.02 0.00 -2.05 0.00 0.00 46.19 46.18 1yll s LEU 131 CO -0.02 -0.40 0.30 1.51 -0.55 0.00 0.00 176.35 177.19 1yll s ASP 132 N -0.56 0.03 0.22 1.48 -4.77 -1.26 -0.78 116.67 111.03 1yll s ASP 132 Ca -0.07 -1.05 -0.22 0.00 -3.30 0.00 0.00 52.55 47.91 1yll s ASP 132 Cb -0.03 0.47 0.04 0.00 -1.09 0.00 0.00 42.92 42.31 1yll s ASP 132 CO 0.05 -0.96 0.72 -1.66 0.70 0.00 0.00 175.17 174.01 1yll s TRP 133 N -4.04 -0.29 -0.04 2.11 -2.14 -0.61 -5.01 118.94 108.92 1yll s TRP 133 Ca 0.25 -0.08 0.06 0.00 2.66 0.00 0.00 56.10 59.00 1yll s TRP 133 Cb 0.03 0.66 -0.02 0.00 -3.10 0.00 0.00 33.47 31.04 1yll s TRP 133 CO 0.07 -1.07 -0.23 -1.01 -2.66 0.00 0.00 176.95 172.05 1yll s HIS 134 N -3.78 2.44 0.10 1.66 3.76 -1.26 -0.93 115.29 117.28 1yll s HIS 134 Ca 0.08 -0.50 -0.19 0.00 -0.15 0.00 0.00 55.06 54.30 1yll s HIS 134 Cb -0.04 -1.56 0.04 0.00 1.11 0.00 0.00 32.58 32.13 1yll s HIS 134 CO 0.00 -0.07 0.46 0.20 -0.85 0.00 0.00 174.74 174.48 1yll s GLY 135 N -0.44 -0.37 0.00 -2.22 0.00 0.24 -4.92 107.32 99.60 1yll s GLY 135 Ca 0.05 0.23 0.17 0.00 0.00 0.00 0.00 44.72 45.17 1yll s GLY 135 CO 0.01 -0.05 1.02 2.41 0.00 0.00 0.00 173.10 176.49 1yll n THR 136 N -0.02 0.00 -1.54 0.90 -1.04 -1.26 -0.29 114.28 111.03 1yll n THR 136 Ca -0.17 -0.46 -0.46 0.00 -2.04 0.00 0.00 64.05 60.92 1yll n THR 136 Cb 0.63 1.33 -0.02 0.00 -1.82 0.00 0.00 70.33 70.44 1yll n THR 136 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yll n ALA 137 N 0.74 -1.01 0.22 2.41 0.00 -1.26 -4.61 120.51 116.99 1yll n ALA 137 Ca 0.09 0.42 0.11 0.00 0.00 0.00 0.00 53.44 54.07 1yll n ALA 137 Cb 0.42 -1.92 0.17 0.00 0.00 0.00 0.00 19.45 18.12 1yll n ALA 137 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1yll h SER 138 N 2.04 0.00 -3.53 0.00 4.64 -1.75 -3.43 113.55 111.51 1yll h SER 138 Ca -0.38 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.49 1yll h SER 138 Cb 1.37 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 63.13 1yll h SER 138 CO 0.62 0.04 -0.79 -0.89 -0.87 0.00 0.00 176.83 174.93 1yll s THR 139 N -3.21 0.81 -0.07 2.95 2.01 -0.55 -1.09 115.64 116.49 1yll s THR 139 Ca 0.07 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.78 1yll s THR 139 Cb 0.05 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.81 1yll s THR 139 CO 0.67 0.28 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.54 1yll s LEU 140 N 0.64 1.63 -0.17 4.42 2.96 0.20 -1.18 118.68 127.17 1yll s LEU 140 Ca -0.11 -0.30 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1yll s LEU 140 Cb -0.14 -0.83 0.01 0.00 0.50 0.00 0.00 46.19 45.74 1yll s LEU 140 CO 0.02 0.03 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.12 1yll s LEU 141 N 0.72 2.23 -0.27 -0.68 1.43 0.83 -0.76 118.68 122.17 1yll s LEU 141 Ca -0.14 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.40 1yll s LEU 141 Cb -0.16 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.63 1yll s LEU 141 CO 0.03 0.04 -0.09 -0.22 0.23 0.00 0.00 176.35 176.34 1yll s LEU 142 N 1.09 3.62 -0.17 1.79 1.98 -0.10 -0.63 118.68 126.26 1yll s LEU 142 Ca -0.00 -1.49 -0.14 0.00 -2.89 0.00 0.00 54.13 49.61 1yll s LEU 142 Cb -0.14 -1.56 -0.05 0.00 0.66 0.00 0.00 46.19 45.10 1yll s LEU 142 CO -0.07 -0.21 0.29 0.12 -1.89 0.00 0.00 176.35 174.59 1yll s PHE 143 N 1.08 3.44 -0.26 5.38 5.36 -0.61 -0.71 117.98 131.66 1yll s PHE 143 Ca -0.06 0.57 -0.11 0.00 -0.96 0.00 0.00 56.93 56.37 1yll s PHE 143 Cb -0.20 -2.35 -0.05 0.00 -0.34 0.00 0.00 43.02 40.08 1yll s PHE 143 CO -0.05 0.21 0.17 0.00 -1.46 0.00 0.00 175.22 174.09 1yll s ALA 144 N 0.57 3.56 0.09 11.12 0.00 -0.60 -0.81 121.76 135.69 1yll s ALA 144 Ca 0.16 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 1yll s ALA 144 Cb -0.13 -2.38 -0.23 0.00 0.00 0.00 0.00 23.12 20.37 1yll s ALA 144 CO 0.04 -0.36 1.19 0.37 0.00 0.00 0.00 175.76 177.00 1yll h GLN 145 N 7.92 0.24 -6.06 0.00 4.15 -1.41 0.65 115.11 120.60 1yll h GLN 145 Ca -0.37 -0.38 -0.61 0.00 0.77 0.00 0.00 58.65 58.07 1yll h GLN 145 Cb 1.18 0.14 -0.14 0.00 0.21 0.00 0.00 27.48 28.87 1yll h GLN 145 CO 0.60 1.16 -0.72 -0.65 -1.93 0.00 0.00 178.83 177.29 1yll s GLN 146 N -2.76 1.72 0.75 1.69 -0.21 -1.23 -3.75 119.66 115.87 1yll s GLN 146 Ca -0.03 -1.83 -0.11 0.00 0.02 0.00 0.00 55.36 53.41 1yll s GLN 146 Cb 0.08 -1.70 0.04 0.00 1.00 0.00 0.00 33.01 32.42 1yll s GLN 146 CO 0.87 0.24 1.08 -0.51 -2.12 0.00 0.00 175.29 174.85 1yll s ASP 147 N -3.54 4.84 0.00 5.90 1.11 -1.26 -4.06 116.67 119.65 1yll s ASP 147 Ca 0.31 1.66 0.00 0.00 0.18 0.00 0.00 52.55 54.70 1yll s ASP 147 Cb -0.02 -2.44 0.00 0.00 1.07 0.00 0.00 42.92 41.53 1yll s ASP 147 CO 0.15 -1.80 0.00 0.61 1.18 0.00 0.00 175.17 175.32 1yll n GLY 148 N -1.65 0.78 3.67 0.21 0.00 -1.04 -4.83 105.19 102.34 1yll n GLY 148 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1yll n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yll s VAL 149 N -2.04 5.16 -0.06 1.61 1.01 -1.17 -4.33 120.40 120.57 1yll s VAL 149 Ca 0.00 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 62.78 1yll s VAL 149 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1yll s VAL 149 CO 0.00 0.22 0.05 0.00 0.00 0.00 0.00 175.10 175.37 1yll s ALA 150 N 1.46 3.48 -0.02 5.51 0.00 0.04 -0.22 121.76 132.00 1yll s ALA 150 Ca 0.21 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1yll s ALA 150 Cb -0.15 -1.59 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 1yll s ALA 150 CO 0.09 0.63 -0.19 -1.50 0.00 0.00 0.00 175.76 174.78 1yll s ILE 151 N -1.01 1.54 0.04 0.00 2.07 -0.76 -1.04 121.20 122.03 1yll s ILE 151 Ca 0.17 -0.82 0.06 0.00 -1.41 0.00 0.00 60.65 58.65 1yll s ILE 151 Cb -0.12 -1.29 -0.02 0.00 0.13 0.00 0.00 42.46 41.16 1yll s ILE 151 CO 0.07 0.44 -0.16 -0.94 -1.91 0.00 0.00 174.94 172.43 1yll s SER 152 N -0.33 1.95 -0.06 4.50 1.04 -0.31 0.47 113.70 120.95 1yll s SER 152 Ca 0.04 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 56.01 1yll s SER 152 Cb -0.09 -0.14 0.02 0.00 0.10 0.00 0.00 66.02 65.91 1yll s SER 152 CO 0.00 0.08 -0.09 -0.22 0.98 0.00 0.00 173.24 173.99 1yll s LEU 153 N -1.15 1.45 -1.38 2.42 2.96 -0.35 -1.44 118.68 121.19 1yll s LEU 153 Ca 0.04 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.64 1yll s LEU 153 Cb -0.08 -0.69 0.04 0.00 0.50 0.00 0.00 46.19 45.96 1yll s LEU 153 CO 0.01 -0.02 0.50 0.00 -1.32 0.00 0.00 176.35 175.53 1yll n GLN 154 N 4.07 -3.90 -0.17 1.98 1.13 -0.67 -1.28 117.38 118.54 1yll n GLN 154 Ca -0.22 0.65 0.00 0.00 -1.94 0.00 0.00 57.00 55.49 1yll n GLN 154 Cb 0.51 -5.41 0.00 0.00 0.11 0.00 0.00 30.24 25.45 1yll n GLN 154 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1yll n GLY 155 N -1.29 1.97 3.56 1.08 0.00 -1.26 -5.02 105.19 104.24 1yll n GLY 155 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1yll n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yll s GLN 156 N -0.24 3.89 0.32 1.61 -0.21 -0.41 -5.06 119.66 119.56 1yll s GLN 156 Ca 0.00 -0.36 -0.29 0.00 0.02 0.00 0.00 55.36 54.73 1yll s GLN 156 Cb 0.00 -3.54 -0.11 0.00 1.00 0.00 0.00 33.01 30.36 1yll s GLN 156 CO 0.00 -0.14 1.55 -2.14 -2.12 0.00 0.00 175.29 172.44 1yll s PRO 157 N 1.59 4.13 0.00 2.91 0.02 -1.26 -1.21 135.00 141.18 1yll s PRO 157 Ca 0.07 2.56 0.02 0.00 0.02 0.00 0.00 61.00 63.66 1yll s PRO 157 Cb -0.15 -3.01 0.01 0.00 0.02 0.00 0.00 34.50 31.36 1yll s PRO 157 CO 0.08 -0.58 0.41 0.54 -0.33 0.00 0.00 177.00 177.12 1yll n ARG 158 N 1.61 1.52 -0.81 5.54 5.12 0.18 -4.89 116.66 124.92 1yll n ARG 158 Ca 0.06 -0.43 0.00 0.00 -1.93 0.00 0.00 57.85 55.55 1yll n ARG 158 Cb 0.38 -0.90 0.00 0.00 -1.16 0.00 0.00 32.46 30.78 1yll n ARG 158 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yll n GLY 159 N 0.41 0.28 2.99 -0.13 0.00 -1.22 -4.96 105.19 102.55 1yll n GLY 159 Ca 0.01 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 1yll n GLY 159 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1yll s GLN 160 N -1.37 0.37 -0.11 1.61 0.74 -1.26 -1.83 119.66 117.81 1yll s GLN 160 Ca 0.00 -0.48 -0.01 0.00 0.05 0.00 0.00 55.36 54.92 1yll s GLN 160 Cb 0.00 -0.18 -0.03 0.00 1.10 0.00 0.00 33.01 33.91 1yll s GLN 160 CO 0.00 0.03 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.19 1yll s LEU 161 N -1.00 3.09 0.45 3.68 1.02 0.69 -5.00 118.68 121.62 1yll s LEU 161 Ca -0.07 -0.13 0.05 0.00 0.02 0.00 0.00 54.13 54.00 1yll s LEU 161 Cb -0.07 -1.70 0.01 0.00 0.02 0.00 0.00 46.19 44.46 1yll s LEU 161 CO -0.00 0.25 0.63 0.00 0.02 0.00 0.00 176.35 177.25 1yll s ALA 162 N -0.15 4.25 0.06 4.21 0.00 -1.26 -2.49 121.76 126.37 1yll s ALA 162 Ca 0.02 -1.50 -0.37 0.00 0.00 0.00 0.00 51.96 50.11 1yll s ALA 162 Cb -0.13 -1.81 -0.16 0.00 0.00 0.00 0.00 23.12 21.02 1yll s ALA 162 CO 0.03 -0.41 1.42 0.00 0.00 0.00 0.00 175.76 176.80 1yll n ALA 163 N -2.00 -0.57 -0.84 0.00 0.00 -1.26 -1.02 120.51 114.83 1yll n ALA 163 Ca 0.07 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1yll n ALA 163 Cb 0.59 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1yll n ALA 163 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yll n HIS 164 N 2.98 0.00 -1.59 0.00 8.25 0.23 -4.77 115.22 120.32 1yll n HIS 164 Ca 0.19 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.35 1yll n HIS 164 Cb 0.20 -0.55 0.08 0.00 1.12 0.00 0.00 29.99 30.85 1yll n HIS 164 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1yll s ASP 165 N -2.59 4.63 -0.12 0.41 -0.00 -0.19 -4.35 116.67 114.46 1yll s ASP 165 Ca 0.00 1.30 -0.07 0.00 -0.00 0.00 0.00 52.55 53.79 1yll s ASP 165 Cb 0.00 -2.05 0.05 0.00 -0.00 0.00 0.00 42.92 40.92 1yll s ASP 165 CO 0.00 -1.88 0.29 0.00 -0.00 0.00 0.00 175.17 173.58 1yll s LEU 167 N 1.14 4.55 -0.11 0.00 0.20 0.11 -0.08 118.68 124.50 1yll s LEU 167 Ca -0.08 1.58 -0.00 0.00 0.69 0.00 0.00 54.13 56.31 1yll s LEU 167 Cb -0.09 -3.26 0.02 0.00 -0.43 0.00 0.00 46.19 42.44 1yll s LEU 167 CO -0.08 0.16 -0.07 0.00 -0.29 0.00 0.00 176.35 176.07 1yll s ALA 169 N 1.68 1.45 0.14 0.00 0.00 0.06 0.05 121.76 125.14 1yll s ALA 169 Ca 0.04 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.49 1yll s ALA 169 Cb -0.13 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1yll s ALA 169 CO -0.07 -0.02 -0.12 -1.21 0.00 0.00 0.00 175.76 174.34 1yll s GLU 170 N 0.91 1.06 -1.07 0.00 2.02 0.56 -0.63 118.70 121.55 1yll s GLU 170 Ca -0.09 -1.37 0.00 0.00 0.02 0.00 0.00 54.97 53.53 1yll s GLU 170 Cb -0.15 -0.76 0.00 0.00 0.10 0.00 0.00 34.13 33.32 1yll s GLU 170 CO 0.00 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.81 1yll n GLY 171 N 0.08 0.85 3.77 -1.39 0.00 -0.63 -0.68 105.19 107.19 1yll n GLY 171 Ca -0.12 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 1yll n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yll s LEU 172 N -2.60 4.40 -0.10 0.99 1.43 -0.25 -3.98 118.68 118.57 1yll s LEU 172 Ca 0.00 2.62 0.03 0.00 -1.03 0.00 0.00 54.13 55.75 1yll s LEU 172 Cb 0.00 -3.70 0.01 0.00 0.03 0.00 0.00 46.19 42.52 1yll s LEU 172 CO 0.00 -0.54 -0.20 -1.10 0.23 0.00 0.00 176.35 174.74 1yll s GLN 173 N -1.84 2.58 0.95 1.70 -0.21 -1.26 -4.41 119.66 117.16 1yll s GLN 173 Ca 0.50 -0.71 0.00 0.00 0.02 0.00 0.00 55.36 55.17 1yll s GLN 173 Cb -0.38 -2.02 0.00 0.00 1.00 0.00 0.00 33.01 31.60 1yll s GLN 173 CO 0.50 0.09 0.00 0.41 -2.12 0.00 0.00 175.29 174.17 1yll n GLY 174 N 3.75 -1.94 3.69 3.09 0.00 -1.26 -4.84 105.19 107.68 1yll n GLY 174 Ca -0.20 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 1yll n GLY 174 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yll s LEU 175 N 0.00 4.34 -0.02 0.99 0.20 -1.26 -4.43 118.68 118.50 1yll s LEU 175 Ca 0.00 2.32 0.04 0.00 0.69 0.00 0.00 54.13 57.18 1yll s LEU 175 Cb 0.00 -3.56 -0.03 0.00 -0.43 0.00 0.00 46.19 42.17 1yll s LEU 175 CO 0.00 -0.81 -0.13 -1.10 -0.29 0.00 0.00 176.35 174.03 1yll s GLN 176 N 2.47 2.42 -0.35 1.98 -1.52 0.60 -4.93 119.66 120.34 1yll s GLN 176 Ca 0.69 -0.76 -0.06 0.00 -1.95 0.00 0.00 55.36 53.28 1yll s GLN 176 Cb -0.36 -2.37 0.05 0.00 -0.22 0.00 0.00 33.01 30.10 1yll s GLN 176 CO 0.30 0.60 0.12 -1.58 -0.25 0.00 0.00 175.29 174.47 1yll s HIS 177 N -0.85 3.28 -0.12 0.91 5.65 -1.26 -0.60 115.29 122.31 1yll s HIS 177 Ca 0.14 -1.53 -0.05 0.00 0.25 0.00 0.00 55.06 53.86 1yll s HIS 177 Cb -0.11 -2.38 -0.04 0.00 -1.18 0.00 0.00 32.58 28.87 1yll s HIS 177 CO 0.03 -0.76 0.07 -1.58 -0.65 0.00 0.00 174.74 171.85 1yll s TRP 178 N 1.38 3.35 -0.05 3.88 0.52 -0.11 -1.67 118.94 126.23 1yll s TRP 178 Ca -0.01 0.29 0.00 0.00 0.02 0.00 0.00 56.10 56.41 1yll s TRP 178 Cb -0.20 -1.91 0.03 0.00 -1.15 0.00 0.00 33.47 30.23 1yll s TRP 178 CO 0.02 0.50 -0.02 0.50 0.02 0.00 0.00 176.95 177.97 1yll s ARG 179 N -0.66 0.60 -0.06 4.98 3.52 -0.52 -1.57 118.95 125.25 1yll s ARG 179 Ca 0.12 0.02 0.03 0.00 -0.13 0.00 0.00 55.73 55.76 1yll s ARG 179 Cb -0.12 -0.78 -0.03 0.00 -1.56 0.00 0.00 34.95 32.47 1yll s ARG 179 CO 0.02 -0.17 -0.12 -0.51 -0.81 0.00 0.00 175.30 173.71 1yll s LEU 180 N 1.29 2.85 0.04 -0.88 1.43 0.04 -1.16 118.68 122.29 1yll s LEU 180 Ca -0.06 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1yll s LEU 180 Cb -0.13 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 1yll s LEU 180 CO -0.02 0.35 -0.10 0.28 0.23 0.00 0.00 176.35 177.09 1yll s THR 181 N -0.73 0.73 -0.20 5.49 -1.32 -0.21 -1.27 115.64 118.13 1yll s THR 181 Ca 0.11 -0.96 -0.27 0.00 -1.21 0.00 0.00 61.69 59.37 1yll s THR 181 Cb -0.11 -0.72 0.07 0.00 -1.51 0.00 0.00 72.50 70.23 1yll s THR 181 CO 0.01 -0.19 0.73 0.00 -2.21 0.00 0.00 174.62 172.96 1yll s ALA 182 N -1.04 -1.79 -0.02 11.08 0.00 0.40 -0.78 121.76 129.61 1yll s ALA 182 Ca -0.04 1.80 -0.01 0.00 0.00 0.00 0.00 51.96 53.71 1yll s ALA 182 Cb -0.08 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.21 1yll s ALA 182 CO 0.01 -0.34 -0.01 0.45 0.00 0.00 0.00 175.76 175.86 1yll h HIS 183 N 4.29 0.00 -3.49 0.00 3.86 -1.83 -0.07 115.15 117.91 1yll h HIS 183 Ca -0.28 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.40 1yll h HIS 183 Cb 1.15 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.60 1yll h HIS 183 CO 0.38 0.00 0.34 -2.00 0.86 0.00 0.00 177.93 177.51 1yll s GLU 184 N -1.16 4.62 0.16 2.45 -6.30 -1.26 -4.41 118.70 112.81 1yll s GLU 184 Ca -0.01 1.40 -0.29 0.00 -2.50 0.00 0.00 54.97 53.56 1yll s GLU 184 Cb 0.00 -3.41 -0.17 0.00 0.00 0.00 0.00 34.13 30.55 1yll s GLU 184 CO 0.02 0.10 0.60 -2.30 0.02 0.00 0.00 175.26 173.70 1yll n PRO 185 N 3.28 0.00 -3.73 4.30 -0.02 -1.26 -4.93 135.00 132.64 1yll n PRO 185 Ca 0.03 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.39 1yll n PRO 185 Cb 0.50 -1.06 -0.12 0.00 -0.02 0.00 0.00 33.50 32.80 1yll n PRO 185 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yll s ALA 186 N -0.82 -0.71 0.11 3.55 0.00 -0.76 -4.97 121.76 118.15 1yll s ALA 186 Ca 0.67 1.07 -0.22 0.00 0.00 0.00 0.00 51.96 53.48 1yll s ALA 186 Cb -0.97 -0.66 -0.07 0.00 0.00 0.00 0.00 23.12 21.42 1yll s ALA 186 CO 0.55 -0.20 0.68 -1.58 0.00 0.00 0.00 175.76 175.21 1yll s TRP 187 N 1.00 3.84 0.13 0.00 0.52 -1.26 -0.78 118.94 122.39 1yll s TRP 187 Ca -0.07 1.45 0.04 0.00 0.02 0.00 0.00 56.10 57.54 1yll s TRP 187 Cb -0.08 -2.65 -0.04 0.00 -1.15 0.00 0.00 33.47 29.55 1yll s TRP 187 CO -0.07 0.52 -0.09 0.14 0.02 0.00 0.00 176.95 177.47 1yll s VAL 188 N -1.02 1.03 -0.13 4.03 -7.23 -0.12 -1.05 120.40 115.91 1yll s VAL 188 Ca 0.33 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 1yll s VAL 188 Cb -0.21 -1.77 0.02 0.00 0.56 0.00 0.00 36.38 34.98 1yll s VAL 188 CO 0.22 -0.77 -0.12 0.00 -0.31 0.00 0.00 175.10 174.12 1yll s ALA 190 N 1.47 3.56 -0.17 0.00 0.00 -0.13 -1.57 121.76 124.91 1yll s ALA 190 Ca 0.03 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1yll s ALA 190 Cb -0.13 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.53 1yll s ALA 190 CO -0.09 -0.46 -0.18 0.08 0.00 0.00 0.00 175.76 175.12 1yll s VAL 191 N 1.59 2.30 -0.08 0.00 1.01 0.20 -1.09 120.40 124.33 1yll s VAL 191 Ca 0.09 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1yll s VAL 191 Cb -0.15 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 1yll s VAL 191 CO 0.09 0.53 -0.23 -1.61 0.00 0.00 0.00 175.10 173.88 1yll s GLU 192 N 1.13 2.78 -0.05 2.72 2.02 -0.15 -0.12 118.70 127.04 1yll s GLU 192 Ca 0.01 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.16 1yll s GLU 192 Cb -0.14 -2.26 0.01 0.00 0.10 0.00 0.00 34.13 31.83 1yll s GLU 192 CO -0.07 0.32 -0.11 -0.51 0.02 0.00 0.00 175.26 174.90 1yll s LEU 193 N 0.00 1.70 -0.08 1.80 1.43 -0.33 -0.64 118.68 122.57 1yll s LEU 193 Ca -0.08 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 1yll s LEU 193 Cb -0.15 -0.73 -0.02 0.00 0.03 0.00 0.00 46.19 45.31 1yll s LEU 193 CO 0.05 0.05 -0.15 -1.81 0.23 0.00 0.00 176.35 174.73 1yll s ASP 194 N 0.44 3.96 0.00 2.29 1.01 -0.34 -1.49 116.67 122.54 1yll s ASP 194 Ca -0.09 -0.26 0.30 0.00 0.71 0.00 0.00 52.55 53.20 1yll s ASP 194 Cb -0.13 -1.10 1.77 0.00 1.01 0.00 0.00 42.92 44.47 1yll s ASP 194 CO 0.02 0.28 2.10 -1.20 0.21 0.00 0.00 175.17 176.58