#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yll s LEU 4 N 0.00 1.24 -0.02 -4.62 1.98 -1.26 -1.31 118.68 114.69 1yll s LEU 4 Ca 0.00 -0.24 -0.05 0.00 -2.89 0.00 0.00 54.13 50.95 1yll s LEU 4 Cb 0.00 -0.72 0.00 0.00 0.66 0.00 0.00 46.19 46.13 1yll s LEU 4 CO 0.00 -0.08 0.11 -0.60 -1.89 0.00 0.00 176.35 173.88 1yll s ARG 5 N 1.36 0.30 -0.27 1.98 3.52 -0.70 -5.01 118.95 120.14 1yll s ARG 5 Ca -0.02 -0.17 -0.09 0.00 -0.13 0.00 0.00 55.73 55.31 1yll s ARG 5 Cb -0.14 0.13 -0.03 0.00 -1.56 0.00 0.00 34.95 33.35 1yll s ARG 5 CO -0.04 -0.06 0.13 0.42 -0.81 0.00 0.00 175.30 174.94 1yll s ILE 6 N -0.73 4.74 -0.02 4.11 1.01 -1.26 -0.21 121.20 128.84 1yll s ILE 6 Ca -0.08 -0.09 -0.23 0.00 0.00 0.00 0.00 60.65 60.25 1yll s ILE 6 Cb -0.05 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1yll s ILE 6 CO 0.01 0.26 0.68 -0.76 0.00 0.00 0.00 174.94 175.12 1yll s LEU 7 N 1.67 4.38 -0.18 2.97 1.43 0.12 -4.93 118.68 124.14 1yll s LEU 7 Ca 0.06 1.24 -0.10 0.00 -1.03 0.00 0.00 54.13 54.30 1yll s LEU 7 Cb -0.16 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 1yll s LEU 7 CO 0.07 -0.01 0.15 -0.13 0.23 0.00 0.00 176.35 176.66 1yll s ARG 8 N 0.24 4.04 0.29 1.70 1.81 -1.26 -1.15 118.95 124.63 1yll s ARG 8 Ca 0.35 -0.16 0.01 0.00 -1.72 0.00 0.00 55.73 54.21 1yll s ARG 8 Cb -0.19 -3.37 0.53 0.00 -0.45 0.00 0.00 34.95 31.47 1yll s ARG 8 CO 0.19 0.40 1.89 0.00 -0.68 0.00 0.00 175.30 177.09 1yll h ALA 9 N 6.31 1.51 -0.03 2.13 0.00 -1.86 0.11 119.26 127.42 1yll h ALA 9 Ca -0.44 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1yll h ALA 9 Cb 1.17 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1yll h ALA 9 CO 0.72 0.32 0.18 0.28 0.00 0.00 0.00 179.25 180.75 1yll h VAL 10 N 1.04 0.08 -0.02 0.00 2.07 -1.93 -1.32 116.25 116.16 1yll h VAL 10 Ca 0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.94 1yll h VAL 10 Cb 0.28 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1yll h VAL 10 CO -0.18 0.00 -0.12 0.47 0.02 0.00 0.00 177.57 177.76 1yll n ASP 11 N -3.12 2.48 -4.76 0.57 8.00 0.38 -4.97 116.55 115.14 1yll n ASP 11 Ca -0.02 -1.77 -0.41 0.00 0.71 0.00 0.00 54.79 53.30 1yll n ASP 11 Cb 0.25 0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 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 -2.13 3.03 0.69 1.24 4.12 -0.50 -4.99 117.35 118.81 1yll s TYR 12 Ca 0.27 1.22 -0.11 0.00 0.02 0.00 0.00 57.07 58.47 1yll s TYR 12 Cb 0.20 -3.75 0.01 0.00 -1.52 0.00 0.00 41.96 36.89 1yll s TYR 12 CO 0.38 -2.27 1.06 -1.25 0.02 0.00 0.00 175.55 173.50 1yll s PRO 13 N -1.07 2.96 0.23 -1.71 0.04 -1.26 -4.98 135.00 129.21 1yll s PRO 13 Ca 0.54 0.75 0.03 0.00 0.04 0.00 0.00 61.00 62.35 1yll s PRO 13 Cb -0.41 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 1yll s PRO 13 CO 0.48 -1.03 0.10 -2.13 0.04 0.00 0.00 177.00 174.46 1yll n ARG 14 N -3.05 0.66 -4.29 4.56 0.63 -1.26 -3.73 116.66 110.18 1yll n ARG 14 Ca 0.07 -2.01 -0.18 0.00 -0.92 0.00 0.00 57.85 54.81 1yll n ARG 14 Cb 0.55 1.17 -0.14 0.00 0.45 0.00 0.00 32.46 34.48 1yll n ARG 14 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1yll s PRO 16 N -2.89 0.65 0.29 -0.14 0.02 -1.26 -4.96 135.00 126.70 1yll s PRO 16 Ca 0.14 -0.35 -0.29 0.00 0.02 0.00 0.00 61.00 60.52 1yll s PRO 16 Cb 0.01 -0.61 -0.10 0.00 0.02 0.00 0.00 34.50 33.82 1yll s PRO 16 CO 0.10 0.16 1.11 -1.58 -0.33 0.00 0.00 177.00 176.46 1yll s TRP 17 N -0.32 3.52 0.14 6.54 0.51 0.80 -4.89 118.94 125.24 1yll s TRP 17 Ca 0.02 1.68 0.25 0.00 -2.12 0.00 0.00 56.10 55.92 1yll s TRP 17 Cb -0.04 -3.31 1.35 0.00 -0.81 0.00 0.00 33.47 30.67 1yll s TRP 17 CO -0.00 -0.66 1.74 0.87 -0.51 0.00 0.00 176.95 178.39 1yll h LYS 18 N 3.71 0.00 -0.02 4.98 1.57 -2.04 0.59 116.57 125.37 1yll h LYS 18 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1yll h LYS 18 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1yll h LYS 18 CO 0.67 0.00 -0.24 0.27 -0.57 0.00 0.00 179.45 179.58 1yll n ASN 19 N -2.45 1.95 0.00 0.86 0.23 -1.26 -4.96 115.26 109.63 1yll n ASN 19 Ca -0.02 -1.49 0.00 0.00 -0.53 0.00 0.00 54.58 52.55 1yll n ASN 19 Cb 0.16 0.21 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 1yll n ASN 19 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1yll n GLY 20 N 1.35 0.37 0.22 4.83 0.00 0.20 -4.84 105.19 107.31 1yll n GLY 20 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 2.72 0.00 4.61 0.00 -1.26 -4.89 120.51 122.68 1yll n ALA 21 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1yll n ALA 21 Cb 0.14 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.19 -0.97 3.41 0.00 0.00 -1.26 0.48 105.19 108.04 1yll n GLY 22 Ca 0.18 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.31 -0.02 1.61 1.04 -0.50 -0.14 113.70 111.38 1yll s SER 23 Ca 0.00 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.15 1yll s SER 23 Cb 0.00 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.65 1yll s SER 23 CO 0.00 -0.94 -0.13 -0.89 0.98 0.00 0.00 173.24 172.25 1yll s THR 24 N -3.82 1.09 -0.34 2.02 2.01 -1.26 -0.32 115.64 115.01 1yll s THR 24 Ca 0.05 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 1yll s THR 24 Cb 0.00 -0.93 0.06 0.00 0.01 0.00 0.00 72.50 71.64 1yll s THR 24 CO -0.09 0.32 0.09 -1.61 -0.69 0.00 0.00 174.62 172.64 1yll s GLU 25 N -0.05 2.38 -0.08 4.92 2.02 0.14 -4.38 118.70 123.65 1yll s GLU 25 Ca 0.00 -1.38 -0.30 0.00 0.02 0.00 0.00 54.97 53.31 1yll s GLU 25 Cb -0.08 -3.37 -0.02 0.00 0.10 0.00 0.00 34.13 30.75 1yll s GLU 25 CO 0.01 -0.75 1.14 -2.00 0.02 0.00 0.00 175.26 173.67 1yll s GLU 26 N 1.27 4.36 -0.14 1.61 2.12 -1.24 -1.08 118.70 125.60 1yll s GLU 26 Ca -0.01 1.58 -0.22 0.00 0.36 0.00 0.00 54.97 56.69 1yll s GLU 26 Cb -0.21 -3.57 -0.25 0.00 0.26 0.00 0.00 34.13 30.37 1yll s GLU 26 CO -0.01 -0.43 0.54 0.82 -0.54 0.00 0.00 175.26 175.65 1yll h ILE 27 N 5.07 1.25 -2.27 -3.70 2.04 -1.19 -3.39 117.51 115.34 1yll h ILE 27 Ca -0.32 -2.33 0.11 0.00 1.00 0.00 0.00 64.86 63.32 1yll h ILE 27 Cb 1.15 2.80 -0.15 0.00 -0.74 0.00 0.00 36.82 39.88 1yll h ILE 27 CO 0.88 0.56 0.50 0.00 0.00 0.00 0.00 178.15 180.09 1yll s ALA 28 N -2.37 -1.82 0.08 1.87 0.00 -1.10 -5.01 121.76 113.41 1yll s ALA 28 Ca -0.22 1.00 -0.08 0.00 0.00 0.00 0.00 51.96 52.65 1yll s ALA 28 Cb 0.02 0.41 -0.00 0.00 0.00 0.00 0.00 23.12 23.55 1yll s ALA 28 CO 0.70 -0.70 0.18 -0.98 0.00 0.00 0.00 175.76 174.96 1yll s ARG 29 N -3.11 0.83 0.16 0.00 1.70 -1.26 -1.03 118.95 116.24 1yll s ARG 29 Ca 0.05 -0.95 -0.07 0.00 -0.47 0.00 0.00 55.73 54.29 1yll s ARG 29 Cb -0.01 0.33 0.03 0.00 -0.57 0.00 0.00 34.95 34.73 1yll s ARG 29 CO -0.09 -0.26 1.48 0.38 -1.08 0.00 0.00 175.30 175.73 1yll h ASP 30 N 2.81 0.80 0.00 -2.89 -0.00 -1.87 -3.49 116.42 111.77 1yll h ASP 30 Ca -0.34 -0.41 0.00 0.00 -0.00 0.00 0.00 57.03 56.28 1yll h ASP 30 Cb 1.20 -0.23 0.00 0.00 -0.00 0.00 0.00 39.33 40.30 1yll h ASP 30 CO 0.56 1.17 0.00 0.61 -0.00 0.00 0.00 179.24 181.58 1yll n GLY 31 N 0.25 -1.14 0.00 7.15 0.00 -1.26 -5.02 105.19 105.16 1yll n GLY 31 Ca -0.03 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 -1.62 3.73 -0.02 0.00 -1.26 -3.97 105.19 102.06 1yll n GLY 32 Ca 0.00 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 1yll n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yll s ASP 33 N -3.23 5.34 0.39 1.61 1.01 -1.26 -4.67 116.67 115.86 1yll s ASP 33 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.23 1yll s ASP 33 Cb 0.00 -1.40 0.00 0.00 1.01 0.00 0.00 42.92 42.53 1yll s ASP 33 CO 0.00 0.21 0.00 0.61 0.21 0.00 0.00 175.17 176.20 1yll n GLY 34 N 0.78 -1.76 0.31 0.21 0.00 -1.26 -2.51 105.19 100.96 1yll n GLY 34 Ca -0.11 -1.23 0.06 0.00 0.00 0.00 0.00 46.02 44.74 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 0.92 0.00 0.99 4.77 -1.26 -3.55 117.00 118.87 1yll n LEU 35 Ca 0.00 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1yll n LEU 35 Cb 0.26 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1yll n LEU 35 CO 0.00 0.21 0.27 -0.90 -1.33 0.00 0.00 177.39 175.65 1yll n ASP 36 N -0.08 0.85 -0.47 -1.43 5.75 -1.26 -4.81 116.55 115.10 1yll n ASP 36 Ca 0.10 -1.30 0.06 0.00 -0.01 0.00 0.00 54.79 53.63 1yll n ASP 36 Cb 0.17 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.33 1yll n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yll n GLY 37 N -0.15 0.17 3.96 6.12 0.00 -1.05 -5.03 105.19 109.22 1yll n GLY 37 Ca 0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.93 3.16 -0.12 1.61 -0.12 -1.25 -4.10 117.98 116.22 1yll s PHE 38 Ca 0.15 0.13 -0.06 0.00 -0.05 0.00 0.00 56.93 57.10 1yll s PHE 38 Cb 0.10 -2.32 -0.26 0.00 -0.63 0.00 0.00 43.02 39.91 1yll s PHE 38 CO 0.14 -0.37 0.34 0.41 -0.05 0.00 0.00 175.22 175.70 1yll n GLY 39 N -2.04 -0.56 3.28 1.99 0.00 -1.26 -4.79 105.19 101.82 1yll n GLY 39 Ca 0.02 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 1yll n GLY 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1yll s TRP 40 N -2.56 -0.21 -0.09 1.61 1.48 -1.26 -1.03 118.94 116.88 1yll s TRP 40 Ca -0.23 0.22 -0.07 0.00 -1.06 0.00 0.00 56.10 54.97 1yll s TRP 40 Cb 0.07 0.14 0.03 0.00 -1.16 0.00 0.00 33.47 32.55 1yll s TRP 40 CO 0.76 -0.48 0.22 0.50 -4.06 0.00 0.00 176.95 173.89 1yll s ARG 41 N -1.96 0.23 -0.05 3.25 3.52 0.36 -2.42 118.95 121.87 1yll s ARG 41 Ca -0.09 0.36 0.05 0.00 -0.13 0.00 0.00 55.73 55.92 1yll s ARG 41 Cb -0.02 0.05 -0.02 0.00 -1.56 0.00 0.00 34.95 33.40 1yll s ARG 41 CO 0.01 -0.07 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.06 1yll s LEU 42 N 0.44 2.36 0.24 -0.88 0.20 -0.19 -1.01 118.68 119.84 1yll s LEU 42 Ca -0.03 -0.38 -0.19 0.00 0.69 0.00 0.00 54.13 54.22 1yll s LEU 42 Cb -0.04 -1.45 0.03 0.00 -0.43 0.00 0.00 46.19 44.29 1yll s LEU 42 CO -0.02 0.29 0.62 -0.94 -0.29 0.00 0.00 176.35 176.00 1yll s SER 43 N -0.39 -0.28 -0.07 3.68 1.04 -0.48 -0.56 113.70 116.63 1yll s SER 43 Ca 0.04 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 55.99 1yll s SER 43 Cb -0.12 0.65 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 1yll s SER 43 CO 0.02 -1.19 -0.23 -0.63 0.98 0.00 0.00 173.24 172.19 1yll s ILE 44 N -3.90 2.21 0.14 -1.02 1.01 -0.24 0.02 121.20 119.42 1yll s ILE 44 Ca 0.11 -1.00 0.09 0.00 0.00 0.00 0.00 60.65 59.85 1yll s ILE 44 Cb -0.03 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1yll s ILE 44 CO 0.02 0.57 -0.21 0.00 0.00 0.00 0.00 174.94 175.31 1yll s ALA 45 N -0.05 2.05 -0.16 9.38 0.00 -0.49 0.24 121.76 132.73 1yll s ALA 45 Ca -0.06 -1.41 -0.05 0.00 0.00 0.00 0.00 51.96 50.44 1yll s ALA 45 Cb -0.15 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1yll s ALA 45 CO 0.05 0.36 -0.01 -0.51 0.00 0.00 0.00 175.76 175.65 1yll s ASP 46 N -2.26 5.07 -0.25 0.00 1.11 0.56 -0.54 116.67 120.36 1yll s ASP 46 Ca 0.12 -0.04 0.02 0.00 0.18 0.00 0.00 52.55 52.83 1yll s ASP 46 Cb -0.08 -1.80 0.06 0.00 1.07 0.00 0.00 42.92 42.16 1yll s ASP 46 CO 0.06 0.19 -0.09 -0.69 1.18 0.00 0.00 175.17 175.82 1yll s VAL 47 N 0.24 1.93 -0.31 -1.27 1.01 -0.40 -1.42 120.40 120.18 1yll s VAL 47 Ca -0.01 -1.45 0.22 0.00 0.00 0.00 0.00 61.98 60.75 1yll s VAL 47 Cb -0.13 -2.08 -0.16 0.00 0.00 0.00 0.00 36.38 34.00 1yll s VAL 47 CO 0.02 -0.03 0.84 0.61 0.00 0.00 0.00 175.10 176.54 1yll n GLY 48 N 4.53 -1.21 3.10 4.51 0.00 0.18 -1.59 105.19 114.71 1yll n GLY 48 Ca -0.14 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 1yll n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yll s GLU 49 N -3.35 0.50 0.43 1.61 2.02 -1.09 -4.48 118.70 114.35 1yll s GLU 49 Ca -0.01 -0.49 -0.25 0.00 0.02 0.00 0.00 54.97 54.24 1yll s GLU 49 Cb 0.13 0.20 -0.08 0.00 0.10 0.00 0.00 34.13 34.48 1yll s GLU 49 CO 0.84 -0.12 1.27 -1.12 0.02 0.00 0.00 175.26 176.14 1yll s SER 50 N -1.56 6.17 0.00 -0.19 0.01 -1.26 -4.88 113.70 111.98 1yll s SER 50 Ca -0.13 2.56 0.00 0.00 1.31 0.00 0.00 55.95 59.69 1yll s SER 50 Cb -0.06 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1yll s SER 50 CO 0.00 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.32 1yll n GLY 51 N 0.63 0.11 3.80 3.44 0.00 -0.36 -5.00 105.19 107.82 1yll n GLY 51 Ca 0.05 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 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 1.95 -0.11 -0.02 0.00 -1.26 -0.94 107.32 106.93 1yll s GLY 52 Ca 0.00 0.30 -0.05 0.00 0.00 0.00 0.00 44.72 44.97 1yll s GLY 52 CO 0.00 0.62 0.07 -1.36 0.00 0.00 0.00 173.10 172.42 1yll s PHE 53 N -2.66 3.35 0.59 1.90 2.99 -0.25 -4.84 117.98 119.06 1yll s PHE 53 Ca 0.62 0.31 -0.18 0.00 0.00 0.00 0.00 56.93 57.68 1yll s PHE 53 Cb -0.16 -1.89 -0.04 0.00 0.00 0.00 0.00 43.02 40.93 1yll s PHE 53 CO 0.44 0.53 1.14 -1.12 -0.00 0.00 0.00 175.22 176.21 1yll s SER 54 N -0.74 5.44 0.46 1.36 0.01 -1.26 -4.57 113.70 114.40 1yll s SER 54 Ca 0.12 2.16 -0.14 0.00 1.31 0.00 0.00 55.95 59.41 1yll s SER 54 Cb -0.12 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.47 1yll s SER 54 CO 0.03 -1.41 0.89 -0.83 0.41 0.00 0.00 173.24 172.32 1yll s GLY 55 N -1.98 2.01 -0.51 3.44 0.00 -1.26 -5.00 107.32 104.02 1yll s GLY 55 Ca 0.72 0.01 0.06 0.00 0.00 0.00 0.00 44.72 45.50 1yll s GLY 55 CO 0.32 0.25 0.50 0.69 0.00 0.00 0.00 173.10 174.86 1yll n PHE 56 N -1.45 0.98 -1.62 1.90 3.01 -0.90 -5.07 117.46 114.31 1yll n PHE 56 Ca 0.05 -3.75 -0.50 0.00 1.01 0.00 0.00 57.45 54.26 1yll n PHE 56 Cb 0.54 -0.25 -0.05 0.00 -0.01 0.00 0.00 39.48 39.71 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 1.88 -0.08 -0.04 4.37 0.00 -1.23 -1.74 120.51 123.67 1yll n ALA 57 Ca 0.25 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.18 1yll n ALA 57 Cb 0.45 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 2.92 2.16 3.93 0.00 0.00 -1.26 -4.96 105.19 107.99 1yll n GLY 58 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.79 3.50 -0.05 1.61 1.51 -0.71 -4.54 117.35 115.88 1yll s TYR 59 Ca 0.00 0.18 -0.11 0.00 -1.01 0.00 0.00 57.07 56.13 1yll s TYR 59 Cb 0.00 -1.71 -0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1yll s TYR 59 CO 0.00 0.54 0.29 -1.14 -1.11 0.00 0.00 175.55 174.14 1yll s GLN 60 N -2.93 3.73 0.07 -0.62 2.00 0.54 -0.38 119.66 122.06 1yll s GLN 60 Ca 0.35 0.18 0.08 0.00 -2.00 0.00 0.00 55.36 53.97 1yll s GLN 60 Cb -0.12 -3.21 -0.03 0.00 0.80 0.00 0.00 33.01 30.45 1yll s GLN 60 CO 0.28 0.72 -0.23 1.03 -0.50 0.00 0.00 175.29 176.59 1yll s ARG 61 N -1.01 1.43 -0.07 1.67 0.52 0.08 -1.41 118.95 120.16 1yll s ARG 61 Ca 0.20 -1.07 -0.01 0.00 -0.52 0.00 0.00 55.73 54.33 1yll s ARG 61 Cb -0.15 -1.64 0.03 0.00 0.52 0.00 0.00 34.95 33.71 1yll s ARG 61 CO 0.09 0.41 -0.01 0.42 0.02 0.00 0.00 175.30 176.23 1yll s ILE 62 N -0.91 0.45 0.09 1.52 1.01 -0.45 -1.17 121.20 121.75 1yll s ILE 62 Ca 0.09 0.04 0.09 0.00 0.00 0.00 0.00 60.65 60.87 1yll s ILE 62 Cb -0.09 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 1yll s ILE 62 CO 0.03 0.26 -0.25 -0.51 0.00 0.00 0.00 174.94 174.47 1yll s ILE 63 N 1.71 2.03 -0.02 2.92 2.07 0.23 -1.04 121.20 129.10 1yll s ILE 63 Ca 0.01 -1.53 0.01 0.00 -1.41 0.00 0.00 60.65 57.73 1yll s ILE 63 Cb -0.13 -1.78 0.02 0.00 0.13 0.00 0.00 42.46 40.70 1yll s ILE 63 CO -0.04 0.15 -0.01 -0.44 -1.91 0.00 0.00 174.94 172.69 1yll s SER 64 N -1.68 0.43 0.32 4.50 0.01 -0.04 -0.67 113.70 116.57 1yll s SER 64 Ca 0.11 -0.04 -0.28 0.00 1.31 0.00 0.00 55.95 57.04 1yll s SER 64 Cb -0.10 -0.17 -0.10 0.00 0.21 0.00 0.00 66.02 65.87 1yll s SER 64 CO 0.04 -0.05 1.16 -0.69 0.41 0.00 0.00 173.24 174.11 1yll s VAL 65 N 0.62 3.26 -0.17 3.43 1.01 -1.26 -0.34 120.40 126.95 1yll s VAL 65 Ca -0.06 1.22 -0.09 0.00 0.00 0.00 0.00 61.98 63.05 1yll s VAL 65 Cb -0.09 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 1yll s VAL 65 CO -0.01 0.25 -0.22 0.18 0.00 0.00 0.00 175.10 175.30 1yll n LEU 66 N 0.85 1.23 -4.11 3.92 4.77 0.81 -0.41 117.00 124.06 1yll n LEU 66 Ca 0.00 0.21 -0.15 0.00 -0.03 0.00 0.00 56.01 56.04 1yll n LEU 66 Cb 0.45 -0.51 -0.12 0.00 -2.33 0.00 0.00 43.42 40.91 1yll n LEU 66 CO 0.54 0.33 -0.42 -1.61 -1.33 0.00 0.00 177.39 174.90 1yll s GLU 67 N -2.32 0.64 0.00 3.23 2.02 -1.07 -4.80 118.70 116.40 1yll s GLU 67 Ca -0.24 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 53.92 1yll s GLU 67 Cb 0.09 -0.50 0.00 0.00 0.10 0.00 0.00 34.13 33.82 1yll s GLU 67 CO 0.30 0.10 0.00 0.41 0.02 0.00 0.00 175.26 176.09 1yll n GLY 68 N 1.39 1.67 0.23 -1.39 0.00 -1.26 -1.89 105.19 103.94 1yll n GLY 68 Ca -0.22 -2.07 0.07 0.00 0.00 0.00 0.00 46.02 43.79 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 0.00 0.00 -0.02 0.00 -1.77 -3.43 103.07 97.85 1yll h GLY 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yll h GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1yll n GLY 70 N -1.06 0.62 3.15 4.60 0.00 -1.26 -4.78 105.19 106.45 1yll n GLY 70 Ca -0.02 -2.17 -0.11 0.00 0.00 0.00 0.00 46.02 43.71 1yll n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yll s ARG 72 N -0.46 0.27 -0.19 1.61 3.52 0.10 -1.80 118.95 122.00 1yll s ARG 72 Ca 0.00 0.74 -0.09 0.00 -0.13 0.00 0.00 55.73 56.26 1yll s ARG 72 Cb 0.00 0.00 -0.04 0.00 -1.56 0.00 0.00 34.95 33.35 1yll s ARG 72 CO 0.00 -0.20 0.10 -0.51 -0.81 0.00 0.00 175.30 173.87 1yll s LEU 73 N 1.78 3.98 -0.35 -0.88 1.43 -1.26 -0.96 118.68 122.42 1yll s LEU 73 Ca -0.06 0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.05 1yll s LEU 73 Cb -0.10 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1yll s LEU 73 CO -0.11 0.17 0.24 -0.60 0.23 0.00 0.00 176.35 176.29 1yll s ARG 74 N 0.43 3.41 -0.27 1.70 3.52 0.32 -0.45 118.95 127.61 1yll s ARG 74 Ca 0.05 -0.71 -0.03 0.00 -0.13 0.00 0.00 55.73 54.92 1yll s ARG 74 Cb -0.12 -3.82 0.02 0.00 -1.56 0.00 0.00 34.95 29.47 1yll s ARG 74 CO -0.00 -0.49 -0.02 0.08 -0.81 0.00 0.00 175.30 174.06 1yll s VAL 75 N 1.71 3.17 -1.56 7.11 1.01 0.40 -1.32 120.40 130.92 1yll s VAL 75 Ca 0.06 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 1yll s VAL 75 Cb -0.18 -2.64 0.09 0.00 0.00 0.00 0.00 36.38 33.66 1yll s VAL 75 CO 0.10 0.13 0.80 0.47 0.00 0.00 0.00 175.10 176.61 1yll n ASP 76 N 4.71 -3.28 0.00 3.32 8.00 0.20 -1.37 116.55 128.14 1yll n ASP 76 Ca -0.16 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1yll n ASP 76 Cb 0.47 -3.36 0.00 0.00 -0.02 0.00 0.00 41.12 38.21 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 -1.62 2.29 3.61 0.44 0.00 -1.26 -5.02 105.19 103.63 1yll n GLY 77 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.41 3.56 0.08 4.61 0.00 -0.47 -5.05 121.76 122.09 1yll s ALA 78 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 1yll s ALA 78 Cb 0.00 -2.68 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 1yll s ALA 78 CO 0.00 -0.62 0.97 -1.21 0.00 0.00 0.00 175.76 174.90 1yll s GLU 79 N 1.98 4.65 0.85 0.00 0.41 -1.26 -0.45 118.70 124.89 1yll s GLU 79 Ca 0.14 1.45 -0.13 0.00 -0.41 0.00 0.00 54.97 56.02 1yll s GLU 79 Cb -0.16 -3.40 0.12 0.00 -1.78 0.00 0.00 34.13 28.91 1yll s GLU 79 CO 0.10 0.13 1.22 -1.54 -0.49 0.00 0.00 175.26 174.67 1yll s SER 80 N 0.31 4.09 0.77 -0.19 1.04 0.40 -4.98 113.70 115.15 1yll s SER 80 Ca 0.49 0.62 -0.11 0.00 0.48 0.00 0.00 55.95 57.42 1yll s SER 80 Cb -0.23 -0.98 0.05 0.00 0.10 0.00 0.00 66.02 64.97 1yll s SER 80 CO 0.29 -2.15 1.08 0.00 0.98 0.00 0.00 173.24 173.45 1yll s ALA 81 N -3.67 2.33 0.27 5.32 0.00 -1.26 -4.71 121.76 120.04 1yll s ALA 81 Ca 0.66 -0.07 -0.31 0.00 0.00 0.00 0.00 51.96 52.24 1yll s ALA 81 Cb -0.09 -3.15 -0.12 0.00 0.00 0.00 0.00 23.12 19.76 1yll s ALA 81 CO 0.50 -1.62 1.54 -0.35 0.00 0.00 0.00 175.76 175.83 1yll n PRO 82 N -3.38 2.48 -3.73 0.00 -0.04 -1.26 -4.69 135.00 124.38 1yll n PRO 82 Ca 0.07 0.88 -0.37 0.00 -0.04 0.00 0.00 63.50 64.04 1yll n PRO 82 Cb 0.55 -2.63 -0.12 0.00 -0.04 0.00 0.00 33.50 31.26 1yll n PRO 82 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1yll s LEU 83 N -0.16 3.78 0.00 1.53 1.43 -1.26 -5.02 118.68 118.97 1yll s LEU 83 Ca 0.66 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.34 1yll s LEU 83 Cb -0.55 -1.93 0.06 0.00 0.03 0.00 0.00 46.19 43.80 1yll s LEU 83 CO 0.48 -0.14 0.47 0.54 0.23 0.00 0.00 176.35 177.93 1yll n ARG 84 N 4.92 0.65 -1.58 1.70 1.74 -1.26 -4.36 116.66 118.47 1yll n ARG 84 Ca -0.15 -3.48 -0.57 0.00 -0.77 0.00 0.00 57.85 52.88 1yll n ARG 84 Cb 0.49 0.29 -0.07 0.00 -1.02 0.00 0.00 32.46 32.16 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 -1.89 -2.01 -2.15 7.54 0.00 -1.26 -2.47 120.51 118.26 1yll n ALA 85 Ca -0.17 0.53 -0.20 0.00 0.00 0.00 0.00 53.44 53.60 1yll n ALA 85 Cb 0.64 -1.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 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 2.58 -1.52 -3.54 0.00 1.74 0.45 -4.94 116.66 111.43 1yll n ARG 86 Ca 0.21 1.02 -0.41 0.00 -0.77 0.00 0.00 57.85 57.91 1yll n ARG 86 Cb 0.11 -5.55 -0.07 0.00 -1.02 0.00 0.00 32.46 25.93 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 -4.62 2.75 0.40 5.56 -0.21 -1.03 -4.89 119.66 117.61 1yll s GLN 87 Ca 0.00 -2.11 -0.26 0.00 0.02 0.00 0.00 55.36 53.01 1yll s GLN 87 Cb 0.00 -3.99 -0.09 0.00 1.00 0.00 0.00 33.01 29.93 1yll s GLN 87 CO 0.00 -1.21 1.33 0.00 -2.12 0.00 0.00 175.29 173.28 1yll s ALA 88 N 0.76 3.29 -0.04 6.09 0.00 -1.26 -4.52 121.76 126.07 1yll s ALA 88 Ca 0.11 1.28 -0.00 0.00 0.00 0.00 0.00 51.96 53.35 1yll s ALA 88 Cb -0.21 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.43 1yll s ALA 88 CO -0.03 -0.87 0.01 0.12 0.00 0.00 0.00 175.76 174.99 1yll s PHE 89 N -1.24 0.35 -0.11 0.00 5.36 0.15 -4.96 117.98 117.54 1yll s PHE 89 Ca 0.57 0.01 -0.05 0.00 -0.96 0.00 0.00 56.93 56.49 1yll s PHE 89 Cb -0.39 -0.52 -0.04 0.00 -0.34 0.00 0.00 43.02 41.73 1yll s PHE 89 CO 0.51 -0.19 0.10 0.00 -1.46 0.00 0.00 175.22 174.18 1yll s ALA 90 N 1.47 3.70 0.13 11.12 0.00 -1.26 -0.60 121.76 136.31 1yll s ALA 90 Ca -0.03 -0.70 -0.19 0.00 0.00 0.00 0.00 51.96 51.04 1yll s ALA 90 Cb -0.13 -1.82 0.05 0.00 0.00 0.00 0.00 23.12 21.22 1yll s ALA 90 CO -0.03 0.61 0.48 -0.59 0.00 0.00 0.00 175.76 176.23 1yll s PHE 91 N -1.00 -0.34 0.23 0.00 -0.12 -0.31 -5.00 117.98 111.44 1yll s PHE 91 Ca 0.15 0.09 -0.27 0.00 -0.05 0.00 0.00 56.93 56.85 1yll s PHE 91 Cb -0.12 0.36 -0.09 0.00 -0.63 0.00 0.00 43.02 42.55 1yll s PHE 91 CO 0.04 -0.74 0.88 0.45 -0.05 0.00 0.00 175.22 175.80 1yll s SER 92 N -2.69 7.49 0.05 1.98 0.15 -1.26 -0.74 113.70 118.67 1yll s SER 92 Ca 0.01 1.81 0.16 0.00 0.70 0.00 0.00 55.95 58.63 1yll s SER 92 Cb 0.01 -2.56 0.67 0.00 -1.71 0.00 0.00 66.02 62.43 1yll s SER 92 CO -0.11 0.13 1.50 0.61 1.20 0.00 0.00 173.24 176.57 1yll n GLY 93 N 1.32 -1.04 0.01 9.45 0.00 0.48 -1.78 105.19 113.64 1yll n GLY 93 Ca -0.02 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.65 0.44 -4.85 1.61 8.00 -1.26 -2.11 116.55 116.73 1yll n ASP 94 Ca 0.03 -0.01 -0.32 0.00 0.71 0.00 0.00 54.79 55.20 1yll n ASP 94 Cb 0.17 0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 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 -3.26 6.53 -0.08 -2.24 0.01 -0.73 -5.03 113.70 108.90 1yll s SER 95 Ca 0.11 1.53 -0.21 0.00 1.31 0.00 0.00 55.95 58.69 1yll s SER 95 Cb 0.17 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 1yll s SER 95 CO 0.67 -0.66 0.61 -0.70 0.41 0.00 0.00 173.24 173.57 1yll s GLU 96 N -4.35 4.39 -0.04 12.44 2.12 -1.26 -4.90 118.70 127.11 1yll s GLU 96 Ca 0.58 0.72 0.01 0.00 0.36 0.00 0.00 54.97 56.64 1yll s GLU 96 Cb -0.10 -3.43 0.02 0.00 0.26 0.00 0.00 34.13 30.87 1yll s GLU 96 CO 0.37 0.13 -0.04 0.08 -0.54 0.00 0.00 175.26 175.25 1yll s VAL 97 N 0.64 0.51 -0.07 3.70 1.01 -1.26 -0.62 120.40 124.31 1yll s VAL 97 Ca 0.33 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.23 1yll s VAL 97 Cb -0.17 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 1yll s VAL 97 CO 0.15 0.21 -0.24 -2.28 0.00 0.00 0.00 175.10 172.94 1yll s HIS 98 N 0.78 2.49 -0.21 5.22 5.04 -0.44 -1.09 115.29 127.08 1yll s HIS 98 Ca -0.10 -0.79 -0.06 0.00 -1.54 0.00 0.00 55.06 52.56 1yll s HIS 98 Cb -0.13 -1.64 -0.03 0.00 0.04 0.00 0.00 32.58 30.82 1yll s HIS 98 CO 0.00 -0.26 0.04 0.00 -2.34 0.00 0.00 174.74 172.18 1yll s THR 100 N 0.98 3.78 0.09 0.00 2.01 -0.13 -1.22 115.64 121.15 1yll s THR 100 Ca 0.03 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.37 1yll s THR 100 Cb -0.14 -2.74 -0.06 0.00 0.01 0.00 0.00 72.50 69.58 1yll s THR 100 CO 0.02 0.39 1.08 -0.76 -0.69 0.00 0.00 174.62 174.67 1yll s LEU 101 N 1.48 4.43 -0.05 4.42 1.43 -1.26 -0.72 118.68 128.41 1yll s LEU 101 Ca 0.05 1.92 -0.26 0.00 -1.03 0.00 0.00 54.13 54.82 1yll s LEU 101 Cb -0.15 -3.59 -0.21 0.00 0.03 0.00 0.00 46.19 42.28 1yll s LEU 101 CO -0.00 -0.28 1.15 -0.07 0.23 0.00 0.00 176.35 177.38 1yll h LEU 102 N 6.06 -0.01 -5.53 1.79 3.38 -1.71 -3.43 115.31 115.86 1yll h LEU 102 Ca -0.43 -0.58 -0.29 0.00 0.09 0.00 0.00 57.88 56.67 1yll h LEU 102 Cb 1.21 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.73 1yll h LEU 102 CO 0.75 0.58 -0.65 -0.62 0.09 0.00 0.00 178.44 178.59 1yll s ASP 103 N -5.78 -0.44 0.00 -0.43 -1.08 -1.26 -5.05 116.67 102.63 1yll s ASP 103 Ca -0.16 -2.11 0.00 0.00 -0.52 0.00 0.00 52.55 49.76 1yll s ASP 103 Cb 0.01 1.11 0.00 0.00 -1.46 0.00 0.00 42.92 42.58 1yll s ASP 103 CO 0.67 -0.10 0.00 0.61 0.52 0.00 0.00 175.17 176.87 1yll n GLY 104 N 3.03 -0.36 3.53 2.66 0.00 -1.26 -4.26 105.19 108.52 1yll n GLY 104 Ca 0.21 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.25 -0.97 -2.23 4.61 0.00 -1.26 -4.68 120.51 115.74 1yll n ALA 105 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.08 1yll n ALA 105 Cb 0.00 -1.97 -0.10 0.00 0.00 0.00 0.00 19.45 17.39 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 -1.88 0.03 -0.00 0.00 -4.36 -0.62 -4.41 121.20 109.96 1yll s ILE 106 Ca 0.69 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 59.12 1yll s ILE 106 Cb -0.35 -2.50 -0.01 0.00 1.25 0.00 0.00 42.46 40.85 1yll s ILE 106 CO 0.55 0.00 -0.14 -0.13 0.24 0.00 0.00 174.94 175.45 1yll s ARG 107 N -3.99 1.11 0.29 0.37 0.52 -0.79 -1.27 118.95 115.18 1yll s ARG 107 Ca 0.39 -0.56 0.03 0.00 -0.52 0.00 0.00 55.73 55.07 1yll s ARG 107 Cb 0.06 -1.09 -0.06 0.00 0.52 0.00 0.00 34.95 34.38 1yll s ARG 107 CO 0.16 0.29 0.05 0.16 0.02 0.00 0.00 175.30 175.98 1yll s ASP 108 N -0.49 1.93 -0.10 0.23 1.47 0.30 -0.14 116.67 119.87 1yll s ASP 108 Ca 0.05 -1.34 0.03 0.00 1.18 0.00 0.00 52.55 52.47 1yll s ASP 108 Cb -0.06 0.00 0.00 0.00 -0.34 0.00 0.00 42.92 42.53 1yll s ASP 108 CO -0.00 -0.62 -0.22 0.12 0.68 0.00 0.00 175.17 175.13 1yll s PHE 109 N -3.45 2.45 -0.05 2.11 5.36 0.54 -1.40 117.98 123.54 1yll s PHE 109 Ca 0.35 -1.05 0.03 0.00 -0.96 0.00 0.00 56.93 55.30 1yll s PHE 109 Cb 0.08 -1.66 0.00 0.00 -0.34 0.00 0.00 43.02 41.10 1yll s PHE 109 CO 0.14 -0.45 -0.15 -0.80 -1.46 0.00 0.00 175.22 172.50 1yll s ASN 110 N 0.49 1.98 -0.14 6.13 0.01 0.10 -0.86 114.94 122.65 1yll s ASN 110 Ca -0.16 -0.33 -0.00 0.00 -0.71 0.00 0.00 52.86 51.66 1yll s ASN 110 Cb -0.17 -0.70 -0.01 0.00 0.41 0.00 0.00 41.25 40.78 1yll s ASN 110 CO 0.06 0.10 -0.13 -0.22 -1.51 0.00 0.00 177.10 175.41 1yll s LEU 111 N 0.29 2.70 -0.08 0.60 0.20 -0.21 -1.38 118.68 120.81 1yll s LEU 111 Ca -0.08 -0.34 0.02 0.00 0.69 0.00 0.00 54.13 54.41 1yll s LEU 111 Cb -0.13 -1.61 0.01 0.00 -0.43 0.00 0.00 46.19 44.03 1yll s LEU 111 CO 0.03 0.15 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.47 1yll s ILE 112 N 0.46 1.25 0.08 6.68 1.01 -0.18 -1.34 121.20 129.17 1yll s ILE 112 Ca -0.09 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 1yll s ILE 112 Cb -0.16 -1.14 0.01 0.00 0.01 0.00 0.00 42.46 41.18 1yll s ILE 112 CO 0.05 0.38 0.26 -0.72 0.00 0.00 0.00 174.94 174.91 1yll s TYR 113 N 0.76 0.00 -0.54 3.97 -0.85 -0.50 -0.49 117.35 119.70 1yll s TYR 113 Ca -0.12 -0.31 -0.23 0.00 -0.52 0.00 0.00 57.07 55.89 1yll s TYR 113 Cb -0.16 0.05 0.05 0.00 0.38 0.00 0.00 41.96 42.28 1yll s TYR 113 CO 0.03 -0.55 0.86 0.00 -1.52 0.00 0.00 175.55 174.36 1yll s ALA 114 N -3.38 3.22 0.56 9.51 0.00 -0.20 -0.34 121.76 131.13 1yll s ALA 114 Ca 0.01 -1.39 0.36 0.00 0.00 0.00 0.00 51.96 50.94 1yll s ALA 114 Cb 0.02 -3.64 1.98 0.00 0.00 0.00 0.00 23.12 21.48 1yll s ALA 114 CO -0.09 -2.30 2.26 -1.00 0.00 0.00 0.00 175.76 174.63 1yll h PRO 115 N 9.24 0.00 0.00 0.00 0.13 -1.80 0.08 132.00 139.65 1yll h PRO 115 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1yll h PRO 115 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1yll h PRO 115 CO 1.06 0.02 0.00 0.54 -0.23 0.00 0.00 178.00 179.39 1yll n ARG 116 N -3.45 0.15 -0.01 0.86 1.74 -1.26 -3.77 116.66 110.92 1yll n ARG 116 Ca -0.03 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1yll n ARG 116 Cb 0.12 -1.70 -0.04 0.00 -1.02 0.00 0.00 32.46 29.82 1yll n ARG 116 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1yll n ARG 117 N -1.96 1.55 -4.12 5.56 1.74 -0.21 -4.81 116.66 114.41 1yll n ARG 117 Ca 0.05 -0.03 -0.15 0.00 -0.77 0.00 0.00 57.85 56.95 1yll n ARG 117 Cb 0.34 -1.14 -0.13 0.00 -1.02 0.00 0.00 32.46 30.50 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 -2.28 0.55 -0.02 -1.55 3.76 -0.16 -0.68 115.29 114.91 1yll s HIS 118 Ca -0.02 -0.25 -0.08 0.00 -0.15 0.00 0.00 55.06 54.56 1yll s HIS 118 Cb 0.03 -0.34 -0.05 0.00 1.11 0.00 0.00 32.58 33.33 1yll s HIS 118 CO 0.23 -0.04 0.26 1.03 -0.85 0.00 0.00 174.74 175.38 1yll s ARG 119 N -0.69 3.60 0.10 1.40 1.81 0.78 -4.38 118.95 121.58 1yll s ARG 119 Ca -0.03 -0.01 0.04 0.00 -1.72 0.00 0.00 55.73 54.01 1yll s ARG 119 Cb -0.05 -3.12 -0.04 0.00 -0.45 0.00 0.00 34.95 31.29 1yll s ARG 119 CO 0.00 0.68 -0.10 0.00 -0.68 0.00 0.00 175.30 175.21 1yll s ALA 120 N -1.20 1.13 -0.03 2.13 0.00 -1.26 -1.69 121.76 120.84 1yll s ALA 120 Ca 0.24 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1yll s ALA 120 Cb -0.13 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1yll s ALA 120 CO 0.13 -0.05 0.08 0.50 0.00 0.00 0.00 175.76 176.42 1yll s ARG 121 N -2.91 0.10 -0.07 0.00 3.52 0.17 -4.97 118.95 114.78 1yll s ARG 121 Ca 0.07 0.12 -0.03 0.00 -0.13 0.00 0.00 55.73 55.76 1yll s ARG 121 Cb -0.02 0.04 0.04 0.00 -1.56 0.00 0.00 34.95 33.45 1yll s ARG 121 CO -0.00 -0.02 0.14 -1.17 -0.81 0.00 0.00 175.30 173.44 1yll s LEU 122 N 0.08 0.60 -0.14 -0.88 0.20 -1.26 -1.04 118.68 116.24 1yll s LEU 122 Ca -0.00 0.28 -0.08 0.00 0.69 0.00 0.00 54.13 55.02 1yll s LEU 122 Cb -0.01 0.31 0.05 0.00 -0.43 0.00 0.00 46.19 46.11 1yll s LEU 122 CO -0.00 -0.17 0.34 -1.58 -0.29 0.00 0.00 176.35 174.66 1yll s GLN 123 N 1.38 0.32 -0.02 1.98 0.74 -0.49 -5.00 119.66 118.57 1yll s GLN 123 Ca -0.07 0.66 -0.28 0.00 0.05 0.00 0.00 55.36 55.73 1yll s GLN 123 Cb -0.12 -0.04 -0.03 0.00 1.10 0.00 0.00 33.01 33.92 1yll s GLN 123 CO -0.06 -0.15 0.89 -1.58 -0.55 0.00 0.00 175.29 173.84 1yll s TRP 124 N 1.24 3.63 -0.04 1.67 0.52 -1.26 -1.19 118.94 123.51 1yll s TRP 124 Ca -0.09 1.55 0.04 0.00 0.02 0.00 0.00 56.10 57.63 1yll s TRP 124 Cb -0.09 -3.01 -0.00 0.00 -1.15 0.00 0.00 33.47 29.22 1yll s TRP 124 CO -0.10 0.02 -0.16 -0.51 0.02 0.00 0.00 176.95 176.22 1yll s LEU 125 N 0.93 1.92 -0.34 2.99 1.43 0.62 -4.98 118.68 121.25 1yll s LEU 125 Ca 0.47 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.12 1yll s LEU 125 Cb -0.20 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 1yll s LEU 125 CO 0.25 0.15 0.23 -0.60 0.23 0.00 0.00 176.35 176.61 1yll s ARG 126 N -0.02 3.47 -0.48 1.70 3.52 -1.26 -0.49 118.95 125.39 1yll s ARG 126 Ca -0.02 -0.66 -0.26 0.00 -0.13 0.00 0.00 55.73 54.66 1yll s ARG 126 Cb -0.10 -3.78 0.03 0.00 -1.56 0.00 0.00 34.95 29.53 1yll s ARG 126 CO 0.01 -0.45 0.95 0.08 -0.81 0.00 0.00 175.30 175.09 1yll s VAL 127 N 1.71 4.42 -0.61 7.11 1.01 0.15 -4.90 120.40 129.30 1yll s VAL 127 Ca 0.06 0.69 -0.00 0.00 0.00 0.00 0.00 61.98 62.73 1yll s VAL 127 Cb -0.17 -4.48 0.15 0.00 0.00 0.00 0.00 36.38 31.88 1yll s VAL 127 CO 0.10 -0.92 0.40 -1.61 0.00 0.00 0.00 175.10 173.07 1yll s GLU 128 N 3.88 2.41 0.00 2.72 2.02 -1.26 -1.72 118.70 126.74 1yll s GLU 128 Ca 0.37 -2.61 0.00 0.00 0.02 0.00 0.00 54.97 52.74 1yll s GLU 128 Cb -0.10 -3.60 0.00 0.00 0.10 0.00 0.00 34.13 30.52 1yll s GLU 128 CO 0.25 -1.16 0.00 0.41 0.02 0.00 0.00 175.26 174.78 1yll n GLY 129 N 3.28 2.10 3.46 -1.39 0.00 -1.18 -4.83 105.19 106.63 1yll n GLY 129 Ca 0.08 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 1yll n GLY 129 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yll s GLU 130 N 0.00 1.01 0.03 1.61 2.12 -1.26 -1.74 118.70 120.47 1yll s GLU 130 Ca 0.00 0.09 -0.25 0.00 0.36 0.00 0.00 54.97 55.16 1yll s GLU 130 Cb 0.00 0.47 0.06 0.00 0.26 0.00 0.00 34.13 34.92 1yll s GLU 130 CO 0.00 -0.33 0.58 -0.48 -0.54 0.00 0.00 175.26 174.49 1yll s LEU 131 N -1.40 -0.32 0.14 2.70 0.05 -0.49 -5.00 118.68 114.36 1yll s LEU 131 Ca -0.10 0.34 -0.14 0.00 0.05 0.00 0.00 54.13 54.28 1yll s LEU 131 Cb -0.01 2.31 0.02 0.00 -2.05 0.00 0.00 46.19 46.46 1yll s LEU 131 CO 0.06 -0.70 0.37 1.51 -0.55 0.00 0.00 176.35 177.04 1yll s ASP 132 N -1.77 -0.14 0.19 1.48 -4.77 -1.26 -0.54 116.67 109.86 1yll s ASP 132 Ca -0.07 -0.48 -0.17 0.00 -3.30 0.00 0.00 52.55 48.53 1yll s ASP 132 Cb -0.01 0.46 0.03 0.00 -1.09 0.00 0.00 42.92 42.31 1yll s ASP 132 CO 0.01 -0.87 0.49 -1.66 0.70 0.00 0.00 175.17 173.84 1yll s TRP 133 N -3.85 -0.09 -0.06 2.11 -2.14 -0.40 -5.01 118.94 109.50 1yll s TRP 133 Ca 0.06 -0.25 0.04 0.00 2.66 0.00 0.00 56.10 58.61 1yll s TRP 133 Cb 0.02 0.34 -0.02 0.00 -3.10 0.00 0.00 33.47 30.72 1yll s TRP 133 CO -0.09 -0.88 -0.17 -1.01 -2.66 0.00 0.00 176.95 172.14 1yll s HIS 134 N -3.87 2.64 0.05 1.66 3.76 -1.26 -1.12 115.29 117.14 1yll s HIS 134 Ca 0.09 -0.39 -0.19 0.00 -0.15 0.00 0.00 55.06 54.43 1yll s HIS 134 Cb -0.00 -1.65 0.04 0.00 1.11 0.00 0.00 32.58 32.07 1yll s HIS 134 CO -0.04 0.01 0.43 0.20 -0.85 0.00 0.00 174.74 174.50 1yll s GLY 135 N -0.40 -0.30 0.00 -2.22 0.00 -0.02 -4.93 107.32 99.45 1yll s GLY 135 Ca 0.04 0.35 0.23 0.00 0.00 0.00 0.00 44.72 45.34 1yll s GLY 135 CO 0.02 0.08 1.26 2.41 0.00 0.00 0.00 173.10 176.88 1yll n THR 136 N 0.46 0.15 -1.68 0.90 -1.04 -1.26 -0.41 114.28 111.40 1yll n THR 136 Ca -0.18 -0.57 -0.44 0.00 -2.04 0.00 0.00 64.05 60.82 1yll n THR 136 Cb 0.60 1.33 -0.02 0.00 -1.82 0.00 0.00 70.33 70.42 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 1.32 1.10 0.10 2.41 0.00 -1.26 -4.65 120.51 119.54 1yll n ALA 137 Ca 0.15 0.39 -0.03 0.00 0.00 0.00 0.00 53.44 53.95 1yll n ALA 137 Cb 0.57 -2.25 -0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 3.35 0.00 -3.36 0.00 4.64 -1.75 -3.44 113.55 112.99 1yll h SER 138 Ca -0.45 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.25 1yll h SER 138 Cb 1.28 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 63.04 1yll h SER 138 CO 0.69 0.77 -0.85 -0.89 -0.87 0.00 0.00 176.83 175.67 1yll s THR 139 N -2.97 1.70 -0.10 2.95 2.01 -0.79 -1.28 115.64 117.16 1yll s THR 139 Ca 0.01 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.22 1yll s THR 139 Cb 0.10 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 71.13 1yll s THR 139 CO 0.78 0.48 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.83 1yll s LEU 140 N 0.49 1.68 -0.19 4.42 2.96 0.22 -1.48 118.68 126.79 1yll s LEU 140 Ca -0.17 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.33 1yll s LEU 140 Cb -0.17 -1.04 0.00 0.00 0.50 0.00 0.00 46.19 45.48 1yll s LEU 140 CO 0.06 0.01 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.23 1yll s LEU 141 N 0.96 2.59 -0.30 -0.68 1.43 0.39 -0.68 118.68 122.39 1yll s LEU 141 Ca -0.08 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1yll s LEU 141 Cb -0.15 -1.62 0.08 0.00 0.03 0.00 0.00 46.19 44.53 1yll s LEU 141 CO -0.01 0.02 -0.01 -0.22 0.23 0.00 0.00 176.35 176.36 1yll s LEU 142 N 1.21 4.08 -0.16 1.79 1.98 -0.30 -0.51 118.68 126.75 1yll s LEU 142 Ca 0.02 -1.81 -0.15 0.00 -2.89 0.00 0.00 54.13 49.30 1yll s LEU 142 Cb -0.14 -1.55 -0.04 0.00 0.66 0.00 0.00 46.19 45.11 1yll s LEU 142 CO -0.05 -0.30 0.36 0.12 -1.89 0.00 0.00 176.35 174.59 1yll s PHE 143 N 1.02 3.44 -0.27 5.38 5.36 -0.22 -0.82 117.98 131.88 1yll s PHE 143 Ca 0.03 0.66 -0.12 0.00 -0.96 0.00 0.00 56.93 56.53 1yll s PHE 143 Cb -0.19 -2.44 -0.05 0.00 -0.34 0.00 0.00 43.02 40.00 1yll s PHE 143 CO -0.07 0.15 0.24 0.00 -1.46 0.00 0.00 175.22 174.07 1yll s ALA 144 N 0.75 3.54 0.02 11.12 0.00 -0.31 -0.32 121.76 136.57 1yll s ALA 144 Ca 0.19 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.99 1yll s ALA 144 Cb -0.14 -2.53 -0.36 0.00 0.00 0.00 0.00 23.12 20.10 1yll s ALA 144 CO 0.06 -0.55 0.98 0.37 0.00 0.00 0.00 175.76 176.62 1yll h GLN 145 N 8.25 0.53 -6.24 0.00 4.15 -1.46 0.50 115.11 120.83 1yll h GLN 145 Ca -0.34 -0.91 -0.56 0.00 0.77 0.00 0.00 58.65 57.61 1yll h GLN 145 Cb 1.18 0.34 -0.08 0.00 0.21 0.00 0.00 27.48 29.13 1yll h GLN 145 CO 0.58 1.44 -0.61 -0.65 -1.93 0.00 0.00 178.83 177.66 1yll s GLN 146 N -2.59 2.59 0.64 1.69 -0.21 -1.19 -3.84 119.66 116.75 1yll s GLN 146 Ca -0.10 -1.13 -0.13 0.00 0.02 0.00 0.00 55.36 54.02 1yll s GLN 146 Cb 0.04 -2.41 -0.02 0.00 1.00 0.00 0.00 33.01 31.62 1yll s GLN 146 CO 0.94 0.42 1.05 0.34 -2.12 0.00 0.00 175.29 175.92 1yll s ASP 147 N -3.38 5.68 0.00 5.90 -1.08 -1.26 -4.33 116.67 118.20 1yll s ASP 147 Ca 0.30 1.66 0.00 0.00 -0.52 0.00 0.00 52.55 53.99 1yll s ASP 147 Cb -0.08 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1yll s ASP 147 CO 0.21 -1.24 0.00 0.61 0.52 0.00 0.00 175.17 175.28 1yll n GLY 148 N -1.70 0.95 3.62 2.66 0.00 -0.74 -4.83 105.19 105.15 1yll n GLY 148 Ca 0.08 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 5.02 -0.08 1.61 1.01 -1.16 -4.31 120.40 120.49 1yll s VAL 149 Ca 0.00 1.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.91 1yll s VAL 149 Cb 0.00 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1yll s VAL 149 CO 0.00 0.05 0.24 0.00 0.00 0.00 0.00 175.10 175.39 1yll s ALA 150 N 2.42 3.80 -0.06 5.51 0.00 0.66 -0.68 121.76 133.41 1yll s ALA 150 Ca 0.24 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.77 1yll s ALA 150 Cb -0.16 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 1yll s ALA 150 CO 0.09 0.53 -0.24 0.42 0.00 0.00 0.00 175.76 176.56 1yll s ILE 151 N -0.93 2.13 0.07 0.00 1.01 -0.63 -0.69 121.20 122.16 1yll s ILE 151 Ca 0.18 -1.04 0.06 0.00 0.00 0.00 0.00 60.65 59.85 1yll s ILE 151 Cb -0.14 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 1yll s ILE 151 CO 0.07 0.57 -0.17 -0.94 0.00 0.00 0.00 174.94 174.47 1yll s SER 152 N -0.19 1.98 -0.09 3.58 1.04 0.04 -0.16 113.70 119.91 1yll s SER 152 Ca -0.03 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.84 1yll s SER 152 Cb -0.14 -0.11 0.02 0.00 0.10 0.00 0.00 66.02 65.90 1yll s SER 152 CO 0.03 0.02 -0.11 -0.22 0.98 0.00 0.00 173.24 173.94 1yll s LEU 153 N -1.54 1.51 -1.46 2.42 2.96 -0.38 -1.41 118.68 120.77 1yll s LEU 153 Ca 0.02 -0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 53.54 1yll s LEU 153 Cb -0.09 -0.89 0.03 0.00 0.50 0.00 0.00 46.19 45.74 1yll s LEU 153 CO 0.02 -0.02 0.55 0.00 -1.32 0.00 0.00 176.35 175.58 1yll n GLN 154 N 4.29 -4.34 -0.69 1.98 1.13 -0.15 -1.87 117.38 117.72 1yll n GLN 154 Ca -0.19 0.76 0.00 0.00 -1.94 0.00 0.00 57.00 55.63 1yll n GLN 154 Cb 0.51 -5.57 0.00 0.00 0.11 0.00 0.00 30.24 25.29 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 -1.39 1.21 3.56 1.08 0.00 -1.26 -5.03 105.19 103.35 1yll n GLY 155 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1yll n GLY 155 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1yll s GLN 156 N -0.16 3.84 0.27 1.61 0.74 -0.78 -5.04 119.66 120.14 1yll s GLN 156 Ca 0.00 -0.40 -0.30 0.00 0.05 0.00 0.00 55.36 54.71 1yll s GLN 156 Cb 0.00 -3.24 -0.11 0.00 1.10 0.00 0.00 33.01 30.76 1yll s GLN 156 CO 0.00 0.10 1.54 -1.25 -0.55 0.00 0.00 175.29 175.13 1yll s PRO 157 N 0.83 4.18 0.00 1.67 0.04 -1.26 -1.25 135.00 139.21 1yll s PRO 157 Ca 0.03 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1yll s PRO 157 Cb -0.14 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1yll s PRO 157 CO 0.02 -0.56 0.83 0.54 0.04 0.00 0.00 177.00 177.87 1yll n ARG 158 N 2.34 1.73 0.00 4.56 5.12 0.77 -4.91 116.66 126.28 1yll n ARG 158 Ca 0.08 -1.16 0.00 0.00 -1.93 0.00 0.00 57.85 54.84 1yll n ARG 158 Cb 0.38 -0.97 0.00 0.00 -1.16 0.00 0.00 32.46 30.71 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 -0.33 1.14 3.02 -0.13 0.00 -1.23 -4.96 105.19 102.69 1yll n GLY 159 Ca 0.00 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 1yll n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yll s GLN 160 N -1.08 0.49 -0.12 1.61 -0.21 -1.26 -1.61 119.66 117.48 1yll s GLN 160 Ca 0.00 -0.50 -0.02 0.00 0.02 0.00 0.00 55.36 54.87 1yll s GLN 160 Cb 0.00 -0.36 -0.03 0.00 1.00 0.00 0.00 33.01 33.62 1yll s GLN 160 CO 0.00 0.08 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.67 1yll s LEU 161 N -0.90 3.10 0.70 2.90 1.02 0.14 -4.99 118.68 120.65 1yll s LEU 161 Ca -0.04 -0.14 -0.02 0.00 0.02 0.00 0.00 54.13 53.95 1yll s LEU 161 Cb -0.06 -1.72 0.11 0.00 0.02 0.00 0.00 46.19 44.54 1yll s LEU 161 CO 0.00 0.23 0.97 0.00 0.02 0.00 0.00 176.35 177.57 1yll s ALA 162 N 0.01 3.59 0.16 4.21 0.00 -1.26 -1.78 121.76 126.69 1yll s ALA 162 Ca -0.01 -1.53 -0.33 0.00 0.00 0.00 0.00 51.96 50.09 1yll s ALA 162 Cb -0.14 -2.13 -0.13 0.00 0.00 0.00 0.00 23.12 20.72 1yll s ALA 162 CO 0.03 -1.36 1.65 0.00 0.00 0.00 0.00 175.76 176.07 1yll n ALA 163 N -2.81 1.81 -0.92 0.00 0.00 -1.26 -1.50 120.51 115.83 1yll n ALA 163 Ca 0.13 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1yll n ALA 163 Cb 0.60 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 3.84 0.00 -1.63 0.00 8.25 0.17 -4.77 115.22 121.08 1yll n HIS 164 Ca 0.17 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.32 1yll n HIS 164 Cb 0.31 -0.71 0.06 0.00 1.12 0.00 0.00 29.99 30.76 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 -2.23 5.22 -0.09 0.41 -0.00 -0.56 -4.25 116.67 115.16 1yll s ASP 165 Ca 0.00 1.45 -0.04 0.00 -0.00 0.00 0.00 52.55 53.96 1yll s ASP 165 Cb 0.00 -2.30 0.05 0.00 -0.00 0.00 0.00 42.92 40.67 1yll s ASP 165 CO 0.00 -1.53 0.19 0.00 -0.00 0.00 0.00 175.17 173.84 1yll s LEU 167 N 1.81 4.55 -0.19 0.00 2.96 0.00 0.10 118.68 127.92 1yll s LEU 167 Ca -0.03 2.10 -0.00 0.00 -0.22 0.00 0.00 54.13 55.98 1yll s LEU 167 Cb -0.12 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 43.01 1yll s LEU 167 CO -0.07 -0.09 -0.05 0.00 -1.32 0.00 0.00 176.35 174.82 1yll s ALA 169 N 1.57 2.29 0.19 0.00 0.00 0.14 -1.72 121.76 124.23 1yll s ALA 169 Ca -0.01 -1.12 0.08 0.00 0.00 0.00 0.00 51.96 50.90 1yll s ALA 169 Cb -0.16 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1yll s ALA 169 CO -0.07 -0.11 -0.15 -1.21 0.00 0.00 0.00 175.76 174.22 1yll s GLU 170 N 0.93 1.28 -1.22 0.00 2.02 -0.42 -0.61 118.70 120.68 1yll s GLU 170 Ca -0.04 -1.52 0.00 0.00 0.02 0.00 0.00 54.97 53.43 1yll s GLU 170 Cb -0.15 -1.11 0.00 0.00 0.10 0.00 0.00 34.13 32.97 1yll s GLU 170 CO -0.04 0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.84 1yll n GLY 171 N -0.18 0.56 3.77 -1.39 0.00 -0.89 -3.63 105.19 103.44 1yll n GLY 171 Ca -0.10 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.31 4.44 -0.12 0.99 1.43 -0.41 -5.01 118.68 116.69 1yll s LEU 172 Ca 0.00 2.52 0.02 0.00 -1.03 0.00 0.00 54.13 55.64 1yll s LEU 172 Cb 0.00 -3.69 0.01 0.00 0.03 0.00 0.00 46.19 42.54 1yll s LEU 172 CO 0.00 -0.44 -0.18 -1.10 0.23 0.00 0.00 176.35 174.87 1yll s GLN 173 N -1.75 2.50 0.35 1.70 -1.52 -1.26 -4.36 119.66 115.32 1yll s GLN 173 Ca 0.49 -0.67 0.00 0.00 -1.95 0.00 0.00 55.36 53.23 1yll s GLN 173 Cb -0.36 -2.07 0.00 0.00 -0.22 0.00 0.00 33.01 30.36 1yll s GLN 173 CO 0.48 -0.03 0.00 0.41 -0.25 0.00 0.00 175.29 175.89 1yll n GLY 174 N 4.11 -2.43 3.70 3.09 0.00 -1.26 -4.88 105.19 107.52 1yll n GLY 174 Ca -0.19 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 4.32 -0.02 0.99 0.20 -1.26 -4.43 118.68 118.48 1yll s LEU 175 Ca 0.00 2.07 0.02 0.00 0.69 0.00 0.00 54.13 56.92 1yll s LEU 175 Cb 0.00 -3.57 -0.03 0.00 -0.43 0.00 0.00 46.19 42.16 1yll s LEU 175 CO 0.00 -0.65 -0.07 -1.10 -0.29 0.00 0.00 176.35 174.24 1yll s GLN 176 N 2.00 2.61 -0.34 1.98 -1.52 0.45 -4.92 119.66 119.91 1yll s GLN 176 Ca 0.62 -0.67 -0.06 0.00 -1.95 0.00 0.00 55.36 53.30 1yll s GLN 176 Cb -0.31 -2.52 0.05 0.00 -0.22 0.00 0.00 33.01 30.01 1yll s GLN 176 CO 0.27 0.62 0.11 -1.58 -0.25 0.00 0.00 175.29 174.46 1yll s HIS 177 N -0.93 3.28 -0.15 0.91 5.65 -1.26 -0.84 115.29 121.95 1yll s HIS 177 Ca 0.15 -1.54 -0.06 0.00 0.25 0.00 0.00 55.06 53.86 1yll s HIS 177 Cb -0.11 -2.37 -0.04 0.00 -1.18 0.00 0.00 32.58 28.89 1yll s HIS 177 CO 0.05 -0.76 0.06 -1.58 -0.65 0.00 0.00 174.74 171.86 1yll s TRP 178 N 1.37 3.27 -0.04 3.88 0.52 -0.28 -0.98 118.94 126.68 1yll s TRP 178 Ca -0.01 0.14 0.02 0.00 0.02 0.00 0.00 56.10 56.27 1yll s TRP 178 Cb -0.20 -2.00 0.01 0.00 -1.15 0.00 0.00 33.47 30.14 1yll s TRP 178 CO 0.02 0.29 -0.08 0.50 0.02 0.00 0.00 176.95 177.70 1yll s ARG 179 N -0.08 1.09 0.04 4.98 3.52 -0.50 -1.27 118.95 126.72 1yll s ARG 179 Ca 0.06 -0.24 0.08 0.00 -0.13 0.00 0.00 55.73 55.50 1yll s ARG 179 Cb -0.12 -0.99 -0.03 0.00 -1.56 0.00 0.00 34.95 32.25 1yll s ARG 179 CO 0.01 0.01 -0.21 -0.51 -0.81 0.00 0.00 175.30 173.78 1yll s LEU 180 N 0.63 2.43 0.03 -0.88 1.43 0.30 -0.78 118.68 121.85 1yll s LEU 180 Ca -0.10 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.54 1yll s LEU 180 Cb -0.13 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1yll s LEU 180 CO 0.01 0.26 -0.07 0.28 0.23 0.00 0.00 176.35 177.06 1yll s THR 181 N -0.86 0.52 -0.11 5.49 -1.32 0.14 -1.40 115.64 118.10 1yll s THR 181 Ca 0.13 -0.93 -0.18 0.00 -1.21 0.00 0.00 61.69 59.50 1yll s THR 181 Cb -0.10 -0.57 0.04 0.00 -1.51 0.00 0.00 72.50 70.36 1yll s THR 181 CO 0.04 -0.29 0.45 0.00 -2.21 0.00 0.00 174.62 172.60 1yll s ALA 182 N -1.16 -1.12 -0.13 11.08 0.00 -0.71 -0.24 121.76 129.48 1yll s ALA 182 Ca -0.08 1.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.61 1yll s ALA 182 Cb -0.09 -0.40 -0.25 0.00 0.00 0.00 0.00 23.12 22.38 1yll s ALA 182 CO 0.00 -0.25 0.82 0.45 0.00 0.00 0.00 175.76 176.78 1yll h HIS 183 N 4.62 -0.00 -3.10 0.00 3.86 -1.87 -3.11 115.15 115.55 1yll h HIS 183 Ca -0.28 -0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.26 1yll h HIS 183 Cb 1.17 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.52 1yll h HIS 183 CO 0.43 0.92 -0.57 -2.00 0.86 0.00 0.00 177.93 177.58 1yll s GLU 184 N -2.46 3.28 0.22 2.45 2.56 -1.26 -4.78 118.70 118.71 1yll s GLU 184 Ca -0.18 -0.31 -0.31 0.00 0.00 0.00 0.00 54.97 54.16 1yll s GLU 184 Cb -0.02 -2.98 -0.14 0.00 2.00 0.00 0.00 34.13 32.98 1yll s GLU 184 CO 0.68 0.66 1.22 -2.30 -0.56 0.00 0.00 175.26 174.96 1yll n PRO 185 N 2.31 1.54 -3.81 4.30 -0.02 -1.26 -4.89 135.00 133.17 1yll n PRO 185 Ca -0.19 0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 61.71 1yll n PRO 185 Cb 0.54 -2.08 -0.14 0.00 -0.02 0.00 0.00 33.50 31.80 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 -0.35 -0.17 0.06 3.55 0.00 -0.70 -4.95 121.76 119.20 1yll s ALA 186 Ca 0.68 0.35 -0.23 0.00 0.00 0.00 0.00 51.96 52.76 1yll s ALA 186 Cb -0.74 -0.23 -0.06 0.00 0.00 0.00 0.00 23.12 22.09 1yll s ALA 186 CO 0.53 -0.08 0.69 -1.58 0.00 0.00 0.00 175.76 175.32 1yll s TRP 187 N 0.49 3.77 0.12 0.00 0.52 -1.26 0.33 118.94 122.91 1yll s TRP 187 Ca -0.04 1.40 0.04 0.00 0.02 0.00 0.00 56.10 57.52 1yll s TRP 187 Cb -0.05 -2.70 -0.04 0.00 -1.15 0.00 0.00 33.47 29.53 1yll s TRP 187 CO -0.02 0.40 -0.09 0.14 0.02 0.00 0.00 176.95 177.39 1yll s VAL 188 N -0.49 0.98 -0.18 4.03 -7.23 0.36 -1.16 120.40 116.71 1yll s VAL 188 Ca 0.34 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 1yll s VAL 188 Cb -0.20 -1.67 0.03 0.00 0.56 0.00 0.00 36.38 35.10 1yll s VAL 188 CO 0.21 -0.73 -0.16 0.00 -0.31 0.00 0.00 175.10 174.11 1yll s ALA 190 N 1.35 3.54 -0.18 0.00 0.00 -0.34 -1.05 121.76 125.09 1yll s ALA 190 Ca 0.03 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.08 1yll s ALA 190 Cb -0.14 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1yll s ALA 190 CO -0.11 -0.78 -0.14 0.08 0.00 0.00 0.00 175.76 174.81 1yll s VAL 191 N 2.09 2.63 -0.04 0.00 1.01 0.33 -1.40 120.40 125.01 1yll s VAL 191 Ca 0.15 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1yll s VAL 191 Cb -0.16 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1yll s VAL 191 CO 0.11 0.50 -0.23 -1.61 0.00 0.00 0.00 175.10 173.86 1yll s GLU 192 N 1.12 2.18 0.05 2.72 2.02 -0.20 -0.46 118.70 126.13 1yll s GLU 192 Ca 0.01 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.20 1yll s GLU 192 Cb -0.14 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 1yll s GLU 192 CO -0.05 0.41 -0.12 -0.51 0.02 0.00 0.00 175.26 175.01 1yll s LEU 193 N -0.29 2.23 0.03 1.80 1.43 -0.55 -0.66 118.68 122.68 1yll s LEU 193 Ca 0.01 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1yll s LEU 193 Cb -0.12 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.64 1yll s LEU 193 CO 0.02 -0.07 -0.07 -1.81 0.23 0.00 0.00 176.35 174.65 1yll s ASP 194 N -1.45 0.77 0.04 2.29 1.01 -0.68 -1.88 116.67 116.77 1yll s ASP 194 Ca -0.03 -0.40 -0.06 0.00 0.71 0.00 0.00 52.55 52.78 1yll s ASP 194 Cb -0.09 0.00 -0.05 0.00 1.01 0.00 0.00 42.92 43.79 1yll s ASP 194 CO 0.01 -0.11 0.30 -0.44 0.21 0.00 0.00 175.17 175.14 1yll s SER 195 N -1.09 6.50 0.29 0.27 0.01 -1.26 -0.15 113.70 118.26 1yll s SER 195 Ca -0.06 0.57 -0.30 0.00 1.31 0.00 0.00 55.95 57.46 1yll s SER 195 Cb -0.07 -2.09 -0.12 0.00 0.21 0.00 0.00 66.02 63.95 1yll s SER 195 CO 0.00 0.20 1.62 -0.22 0.41 0.00 0.00 173.24 175.26 1yll s LEU 196 N -2.00 4.34 0.00 2.44 2.96 0.14 -4.94 118.68 121.63 1yll s LEU 196 Ca 0.31 2.97 0.00 0.00 -0.22 0.00 0.00 54.13 57.19 1yll s LEU 196 Cb -0.13 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1yll s LEU 196 CO 0.19 -0.94 0.00 0.61 -1.32 0.00 0.00 176.35 174.89