#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 0.70 -0.10 -1.46 2.02 -0.31 -5.00 118.70 114.55 1yll s GLU 3 Ca 0.00 -0.19 -0.04 0.00 0.02 0.00 0.00 54.97 54.75 1yll s GLU 3 Cb 0.00 0.31 0.05 0.00 0.10 0.00 0.00 34.13 34.59 1yll s GLU 3 CO 0.00 -0.20 0.22 -1.17 0.02 0.00 0.00 175.26 174.13 1yll s LEU 4 N -1.38 0.20 0.00 1.80 0.20 -1.26 -1.05 118.68 117.19 1yll s LEU 4 Ca -0.13 0.47 -0.04 0.00 0.69 0.00 0.00 54.13 55.13 1yll s LEU 4 Cb -0.05 0.59 -0.01 0.00 -0.43 0.00 0.00 46.19 46.29 1yll s LEU 4 CO 0.04 -0.19 0.06 -0.13 -0.29 0.00 0.00 176.35 175.84 1yll s ARG 5 N 1.71 0.36 -0.36 1.98 0.52 -0.24 -5.01 118.95 117.91 1yll s ARG 5 Ca -0.05 -0.41 -0.12 0.00 -0.52 0.00 0.00 55.73 54.63 1yll s ARG 5 Cb -0.11 0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.51 1yll s ARG 5 CO -0.08 -0.07 0.22 0.42 0.02 0.00 0.00 175.30 175.81 1yll s ILE 6 N -1.22 4.83 0.07 1.52 1.01 -1.26 -0.34 121.20 125.82 1yll s ILE 6 Ca -0.13 -0.63 -0.28 0.00 0.00 0.00 0.00 60.65 59.61 1yll s ILE 6 Cb -0.08 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 1yll s ILE 6 CO 0.00 -0.16 0.89 -0.76 0.00 0.00 0.00 174.94 174.92 1yll s LEU 7 N 1.62 4.46 -0.16 2.97 1.43 0.66 -4.93 118.68 124.74 1yll s LEU 7 Ca 0.04 1.64 -0.08 0.00 -1.03 0.00 0.00 54.13 54.70 1yll s LEU 7 Cb -0.18 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1yll s LEU 7 CO 0.08 -0.06 0.13 -0.13 0.23 0.00 0.00 176.35 176.60 1yll s ARG 8 N 0.11 3.79 0.43 1.70 1.81 -1.26 -0.86 118.95 124.67 1yll s ARG 8 Ca 0.44 -0.19 0.14 0.00 -1.72 0.00 0.00 55.73 54.41 1yll s ARG 8 Cb -0.22 -3.28 1.04 0.00 -0.45 0.00 0.00 34.95 32.03 1yll s ARG 8 CO 0.27 0.54 1.97 0.00 -0.68 0.00 0.00 175.30 177.40 1yll h ALA 9 N 5.83 2.04 0.00 2.13 0.00 -1.86 0.22 119.26 127.61 1yll h ALA 9 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1yll h ALA 9 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1yll h ALA 9 CO 0.67 -0.18 0.00 -0.24 0.00 0.00 0.00 179.25 179.50 1yll h VAL 10 N 0.40 0.00 -0.02 0.00 3.04 -1.94 -1.72 116.25 116.02 1yll h VAL 10 Ca 0.29 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.92 1yll h VAL 10 Cb 0.59 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 1yll h VAL 10 CO -0.08 0.00 -0.29 0.47 -1.01 0.00 0.00 177.57 176.66 1yll n ASP 11 N -2.69 2.39 -4.72 3.17 8.00 0.77 -4.97 116.55 118.50 1yll n ASP 11 Ca -0.02 -1.70 -0.42 0.00 0.71 0.00 0.00 54.79 53.37 1yll n ASP 11 Cb 0.09 0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 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 -2.29 3.34 0.59 1.24 4.12 -0.65 -5.01 117.35 118.70 1yll s TYR 12 Ca 0.22 1.17 -0.10 0.00 0.02 0.00 0.00 57.07 58.38 1yll s TYR 12 Cb 0.19 -3.54 -0.04 0.00 -1.52 0.00 0.00 41.96 37.05 1yll s TYR 12 CO 0.47 -1.76 0.98 -1.25 0.02 0.00 0.00 175.55 174.01 1yll s PRO 13 N 0.83 3.59 0.41 -1.71 0.04 -1.26 -4.90 135.00 132.00 1yll s PRO 13 Ca 0.60 0.65 0.01 0.00 0.04 0.00 0.00 61.00 62.30 1yll s PRO 13 Cb -0.33 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.08 1yll s PRO 13 CO 0.31 -0.50 0.04 -2.13 0.04 0.00 0.00 177.00 174.77 1yll n ARG 14 N -2.65 1.01 0.00 4.56 0.63 -1.26 -2.40 116.66 116.54 1yll n ARG 14 Ca 0.05 -2.89 0.00 0.00 -0.92 0.00 0.00 57.85 54.09 1yll n ARG 14 Cb 0.54 0.71 0.00 0.00 0.45 0.00 0.00 32.46 34.16 1yll n ARG 14 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1yll n PRO 16 N -1.07 0.54 0.00 -0.14 -0.02 -1.26 -4.97 135.00 128.07 1yll n PRO 16 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1yll n PRO 16 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1yll n PRO 16 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yll n GLY 22 N 0.00 0.00 3.21 -1.23 0.00 -1.26 -4.59 105.19 101.33 1yll n GLY 22 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 1.54 0.01 1.61 1.04 -1.23 -5.02 113.70 111.65 1yll s SER 23 Ca 0.00 -0.98 0.01 0.00 0.48 0.00 0.00 55.95 55.46 1yll s SER 23 Cb 0.00 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 1yll s SER 23 CO 0.00 -0.37 -0.05 -0.89 0.98 0.00 0.00 173.24 172.91 1yll s THR 24 N -3.31 0.37 -0.29 2.02 2.01 -1.26 -1.36 115.64 113.82 1yll s THR 24 Ca 0.14 -0.44 -0.05 0.00 0.31 0.00 0.00 61.69 61.64 1yll s THR 24 Cb 0.03 -0.36 0.02 0.00 0.01 0.00 0.00 72.50 72.20 1yll s THR 24 CO -0.01 -0.06 0.04 -1.61 -0.69 0.00 0.00 174.62 172.29 1yll s GLU 25 N -0.54 2.90 -0.11 4.92 2.02 0.57 -4.28 118.70 124.17 1yll s GLU 25 Ca -0.02 -0.97 -0.26 0.00 0.02 0.00 0.00 54.97 53.74 1yll s GLU 25 Cb -0.04 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 30.91 1yll s GLU 25 CO -0.00 -0.48 0.85 -2.00 0.02 0.00 0.00 175.26 173.65 1yll s GLU 26 N 1.42 4.39 -0.13 1.61 2.12 -1.01 -0.90 118.70 126.20 1yll s GLU 26 Ca 0.01 1.10 -0.22 0.00 0.36 0.00 0.00 54.97 56.21 1yll s GLU 26 Cb -0.18 -3.52 -0.26 0.00 0.26 0.00 0.00 34.13 30.43 1yll s GLU 26 CO 0.00 -0.19 0.62 0.82 -0.54 0.00 0.00 175.26 175.97 1yll h ILE 27 N 5.02 1.35 -2.13 -3.70 2.04 -1.36 -3.36 117.51 115.35 1yll h ILE 27 Ca -0.34 -2.36 0.16 0.00 1.00 0.00 0.00 64.86 63.32 1yll h ILE 27 Cb 1.16 2.92 -0.13 0.00 -0.74 0.00 0.00 36.82 40.03 1yll h ILE 27 CO 0.81 0.59 0.56 0.00 0.00 0.00 0.00 178.15 180.11 1yll s ALA 28 N -2.36 -1.84 0.09 1.87 0.00 -1.10 -5.01 121.76 113.41 1yll s ALA 28 Ca -0.20 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 1yll s ALA 28 Cb 0.02 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.56 1yll s ALA 28 CO 0.72 -0.81 0.27 -0.98 0.00 0.00 0.00 175.76 174.96 1yll s ARG 29 N -3.03 0.90 0.27 0.00 1.70 -1.26 -1.14 118.95 116.39 1yll s ARG 29 Ca 0.08 -0.80 0.04 0.00 -0.47 0.00 0.00 55.73 54.58 1yll s ARG 29 Cb -0.01 0.38 0.37 0.00 -0.57 0.00 0.00 34.95 35.12 1yll s ARG 29 CO -0.05 -0.31 1.66 0.38 -1.08 0.00 0.00 175.30 175.91 1yll h ASP 30 N 2.73 0.37 -0.79 -2.89 -0.00 -1.84 -3.49 116.42 110.50 1yll h ASP 30 Ca -0.34 -0.16 0.00 0.00 -0.00 0.00 0.00 57.03 56.54 1yll h ASP 30 Cb 1.22 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.44 1yll h ASP 30 CO 0.52 0.74 0.00 0.61 -0.00 0.00 0.00 179.24 181.11 1yll n GLY 31 N -0.13 -1.55 0.00 7.15 0.00 -1.26 -5.03 105.19 104.37 1yll n GLY 31 Ca -0.01 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.60 -0.03 3.72 -0.02 0.00 -1.26 -3.85 105.19 103.14 1yll n GLY 32 Ca 0.00 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.02 5.35 0.31 1.61 1.01 -1.26 -4.74 116.67 116.93 1yll s ASP 33 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.36 1yll s ASP 33 Cb 0.00 -1.49 0.00 0.00 1.01 0.00 0.00 42.92 42.44 1yll s ASP 33 CO 0.00 0.32 0.00 0.61 0.21 0.00 0.00 175.17 176.31 1yll n GLY 34 N 1.60 -1.85 0.80 0.21 0.00 -1.26 -2.02 105.19 102.67 1yll n GLY 34 Ca -0.16 -1.28 0.05 0.00 0.00 0.00 0.00 46.02 44.63 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 2.28 0.00 0.99 4.77 -1.26 -3.34 117.00 120.44 1yll n LEU 35 Ca 0.00 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 1yll n LEU 35 Cb 0.22 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1yll n LEU 35 CO 0.00 0.45 0.02 -0.67 -1.33 0.00 0.00 177.39 175.86 1yll n ASP 36 N 0.44 0.08 -0.62 -1.43 4.64 -1.26 -4.82 116.55 113.58 1yll n ASP 36 Ca 0.12 -0.49 0.06 0.00 -1.38 0.00 0.00 54.79 53.10 1yll n ASP 36 Cb 0.42 0.80 0.12 0.00 -1.04 0.00 0.00 41.12 41.42 1yll n ASP 36 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1yll n GLY 37 N 0.80 1.64 3.96 0.27 0.00 -0.86 -5.02 105.19 105.99 1yll n GLY 37 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.01 3.42 -0.09 1.61 -0.12 -1.25 -4.18 117.98 116.36 1yll s PHE 38 Ca 0.21 0.09 -0.06 0.00 -0.05 0.00 0.00 56.93 57.13 1yll s PHE 38 Cb 0.12 -1.76 -0.27 0.00 -0.63 0.00 0.00 43.02 40.48 1yll s PHE 38 CO 0.16 0.25 0.48 0.78 -0.05 0.00 0.00 175.22 176.84 1yll h GLY 39 N 0.96 0.31 -4.18 1.99 0.00 -1.94 -3.45 103.07 96.77 1yll h GLY 39 Ca -0.50 -0.79 -0.10 0.00 0.00 0.00 0.00 47.33 45.93 1yll h GLY 39 CO 0.60 0.69 -0.23 0.66 0.00 0.00 0.00 176.54 178.26 1yll s TRP 40 N -2.57 -0.18 -0.10 5.60 1.48 -1.26 -0.77 118.94 121.14 1yll s TRP 40 Ca -0.19 0.19 -0.09 0.00 -1.06 0.00 0.00 56.10 54.95 1yll s TRP 40 Cb 0.06 0.12 0.03 0.00 -1.16 0.00 0.00 33.47 32.52 1yll s TRP 40 CO 0.80 -0.45 0.27 0.50 -4.06 0.00 0.00 176.95 174.00 1yll s ARG 41 N -1.86 0.31 -0.05 3.25 3.52 0.43 -2.24 118.95 122.31 1yll s ARG 41 Ca -0.10 0.39 0.06 0.00 -0.13 0.00 0.00 55.73 55.95 1yll s ARG 41 Cb -0.03 0.13 -0.01 0.00 -1.56 0.00 0.00 34.95 33.48 1yll s ARG 41 CO 0.01 -0.05 -0.23 -1.17 -0.81 0.00 0.00 175.30 173.06 1yll s LEU 42 N 0.24 2.02 0.26 -0.88 0.20 -0.29 -1.08 118.68 119.16 1yll s LEU 42 Ca -0.01 -0.46 -0.15 0.00 0.69 0.00 0.00 54.13 54.20 1yll s LEU 42 Cb -0.03 -1.24 0.00 0.00 -0.43 0.00 0.00 46.19 44.49 1yll s LEU 42 CO -0.00 0.23 0.55 -0.94 -0.29 0.00 0.00 176.35 175.89 1yll s SER 43 N -0.16 -0.14 -0.14 3.68 1.04 -0.38 -0.89 113.70 116.71 1yll s SER 43 Ca -0.02 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.58 1yll s SER 43 Cb -0.13 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.65 1yll s SER 43 CO 0.03 -1.21 -0.16 -0.63 0.98 0.00 0.00 173.24 172.25 1yll s ILE 44 N -3.97 1.68 0.17 -1.02 1.01 -0.08 -0.54 121.20 118.45 1yll s ILE 44 Ca 0.19 -0.72 0.09 0.00 0.00 0.00 0.00 60.65 60.21 1yll s ILE 44 Cb -0.02 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 1yll s ILE 44 CO 0.09 0.48 -0.10 0.00 0.00 0.00 0.00 174.94 175.41 1yll s ALA 45 N 1.25 2.94 -0.19 9.38 0.00 -0.52 -0.31 121.76 134.30 1yll s ALA 45 Ca 0.00 -1.44 -0.05 0.00 0.00 0.00 0.00 51.96 50.48 1yll s ALA 45 Cb -0.14 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 1yll s ALA 45 CO -0.08 0.49 -0.01 -0.51 0.00 0.00 0.00 175.76 175.65 1yll s ASP 46 N -2.74 4.77 -0.27 0.00 1.01 -0.47 -0.56 116.67 118.40 1yll s ASP 46 Ca 0.24 -0.21 0.01 0.00 0.71 0.00 0.00 52.55 53.31 1yll s ASP 46 Cb -0.09 -1.81 0.06 0.00 1.01 0.00 0.00 42.92 42.09 1yll s ASP 46 CO 0.15 0.07 -0.07 -0.69 0.21 0.00 0.00 175.17 174.84 1yll s VAL 47 N 0.94 2.44 -0.50 -1.27 1.01 -0.45 -3.47 120.40 119.10 1yll s VAL 47 Ca 0.01 -1.56 0.17 0.00 0.00 0.00 0.00 61.98 60.60 1yll s VAL 47 Cb -0.14 -2.43 -0.22 0.00 0.00 0.00 0.00 36.38 33.59 1yll s VAL 47 CO 0.02 -0.06 0.60 0.61 0.00 0.00 0.00 175.10 176.27 1yll n GLY 48 N 4.49 -0.71 2.96 4.51 0.00 -1.26 -1.25 105.19 113.93 1yll n GLY 48 Ca -0.14 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.87 0.23 0.60 1.61 2.02 -1.26 -4.50 118.70 114.53 1yll s GLU 49 Ca 0.01 -0.38 -0.18 0.00 0.02 0.00 0.00 54.97 54.45 1yll s GLU 49 Cb 0.12 0.09 -0.03 0.00 0.10 0.00 0.00 34.13 34.41 1yll s GLU 49 CO 0.72 -0.04 1.18 -1.12 0.02 0.00 0.00 175.26 176.02 1yll s SER 50 N -0.96 5.20 0.00 -0.19 0.01 -1.26 -4.91 113.70 111.59 1yll s SER 50 Ca -0.11 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.44 1yll s SER 50 Cb -0.06 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1yll s SER 50 CO -0.00 -1.58 0.00 0.61 0.41 0.00 0.00 173.24 172.67 1yll n GLY 51 N 0.27 -2.23 3.87 3.44 0.00 -0.44 -4.99 105.19 105.11 1yll n GLY 51 Ca 0.13 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 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 1.85 -0.11 -0.02 0.00 -1.26 -0.18 107.32 107.61 1yll s GLY 52 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 44.72 44.51 1yll s GLY 52 CO 0.00 0.12 0.21 -1.36 0.00 0.00 0.00 173.10 172.07 1yll s PHE 53 N -2.67 3.59 0.65 1.90 2.99 -0.47 -4.86 117.98 119.11 1yll s PHE 53 Ca 0.54 0.61 -0.16 0.00 0.00 0.00 0.00 56.93 57.92 1yll s PHE 53 Cb -0.10 -2.09 -0.00 0.00 0.00 0.00 0.00 43.02 40.83 1yll s PHE 53 CO 0.38 0.60 1.14 0.45 -0.00 0.00 0.00 175.22 177.79 1yll s SER 54 N -0.69 5.00 0.33 1.36 0.15 -1.26 -4.56 113.70 114.04 1yll s SER 54 Ca 0.16 2.13 -0.12 0.00 0.70 0.00 0.00 55.95 58.82 1yll s SER 54 Cb -0.13 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.54 1yll s SER 54 CO 0.05 -1.71 0.70 -0.83 1.20 0.00 0.00 173.24 172.66 1yll s GLY 55 N -2.27 2.16 -0.54 9.45 0.00 -1.26 -5.01 107.32 109.85 1yll s GLY 55 Ca 0.70 -0.13 0.06 0.00 0.00 0.00 0.00 44.72 45.35 1yll s GLY 55 CO 0.39 0.05 0.54 0.69 0.00 0.00 0.00 173.10 174.77 1yll n PHE 56 N -0.68 1.53 -1.62 1.90 3.01 -0.84 -5.06 117.46 115.71 1yll n PHE 56 Ca 0.02 -3.86 -0.50 0.00 1.01 0.00 0.00 57.45 54.12 1yll n PHE 56 Cb 0.53 -0.34 -0.05 0.00 -0.01 0.00 0.00 39.48 39.61 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 1.69 -0.24 0.00 4.37 0.00 -1.23 -1.39 120.51 123.72 1yll n ALA 57 Ca 0.25 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.19 1yll n ALA 57 Cb 0.44 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 2.81 1.93 3.95 0.00 0.00 -1.26 -4.95 105.19 107.67 1yll n GLY 58 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.60 3.48 -0.11 1.61 1.51 -0.48 -4.51 117.35 116.25 1yll s TYR 59 Ca 0.00 0.10 -0.08 0.00 -1.01 0.00 0.00 57.07 56.08 1yll s TYR 59 Cb 0.00 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 1yll s TYR 59 CO 0.00 0.49 0.18 -1.14 -1.11 0.00 0.00 175.55 173.97 1yll s GLN 60 N -3.39 3.54 0.04 -0.62 2.00 0.75 -0.11 119.66 121.87 1yll s GLN 60 Ca 0.35 -0.05 0.08 0.00 -2.00 0.00 0.00 55.36 53.73 1yll s GLN 60 Cb -0.11 -3.20 -0.03 0.00 0.80 0.00 0.00 33.01 30.47 1yll s GLN 60 CO 0.29 0.75 -0.22 1.03 -0.50 0.00 0.00 175.29 176.63 1yll s ARG 61 N -0.98 1.50 -0.08 1.67 0.52 0.06 -1.32 118.95 120.32 1yll s ARG 61 Ca 0.16 -0.99 -0.01 0.00 -0.52 0.00 0.00 55.73 54.37 1yll s ARG 61 Cb -0.13 -1.64 0.03 0.00 0.52 0.00 0.00 34.95 33.73 1yll s ARG 61 CO 0.05 0.42 -0.02 0.42 0.02 0.00 0.00 175.30 176.19 1yll s ILE 62 N -0.81 0.54 0.13 1.52 1.01 -0.14 -1.27 121.20 122.19 1yll s ILE 62 Ca 0.09 -0.01 0.11 0.00 0.00 0.00 0.00 60.65 60.84 1yll s ILE 62 Cb -0.09 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1yll s ILE 62 CO 0.02 0.28 -0.26 -0.51 0.00 0.00 0.00 174.94 174.47 1yll s ILE 63 N 1.74 2.31 -0.06 2.92 2.07 0.00 -1.19 121.20 128.99 1yll s ILE 63 Ca 0.02 -1.76 -0.03 0.00 -1.41 0.00 0.00 60.65 57.47 1yll s ILE 63 Cb -0.13 -2.03 0.03 0.00 0.13 0.00 0.00 42.46 40.47 1yll s ILE 63 CO -0.05 0.07 0.14 -0.44 -1.91 0.00 0.00 174.94 172.75 1yll s SER 64 N -2.12 -0.11 0.32 4.50 0.01 -0.35 -0.38 113.70 115.59 1yll s SER 64 Ca 0.15 0.28 -0.25 0.00 1.31 0.00 0.00 55.95 57.44 1yll s SER 64 Cb -0.10 0.19 -0.10 0.00 0.21 0.00 0.00 66.02 66.22 1yll s SER 64 CO 0.07 -0.13 0.93 0.68 0.41 0.00 0.00 173.24 175.20 1yll s VAL 65 N 0.98 4.24 -0.26 3.43 -7.23 -1.26 -0.43 120.40 119.88 1yll s VAL 65 Ca -0.08 1.77 -0.09 0.00 -1.81 0.00 0.00 61.98 61.78 1yll s VAL 65 Cb -0.10 -3.97 -0.15 0.00 0.56 0.00 0.00 36.38 32.72 1yll s VAL 65 CO -0.05 0.11 -0.23 0.18 -0.31 0.00 0.00 175.10 174.80 1yll n LEU 66 N 0.48 2.32 -4.01 1.32 4.77 0.11 -0.71 117.00 121.29 1yll n LEU 66 Ca 0.02 0.18 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 1yll n LEU 66 Cb 0.50 -0.88 -0.10 0.00 -2.33 0.00 0.00 43.42 40.61 1yll n LEU 66 CO 0.44 0.69 -0.33 -1.61 -1.33 0.00 0.00 177.39 175.24 1yll s GLU 67 N -2.50 0.48 0.00 3.23 2.02 -1.00 -4.80 118.70 116.12 1yll s GLU 67 Ca -0.36 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 53.76 1yll s GLU 67 Cb 0.12 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.52 1yll s GLU 67 CO 0.55 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 176.15 1yll n GLY 68 N 0.87 1.16 0.00 -1.39 0.00 -1.26 -1.92 105.19 102.65 1yll n GLY 68 Ca -0.19 -2.09 0.06 0.00 0.00 0.00 0.00 46.02 43.80 1yll n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yll n GLY 69 N 0.71 -0.76 0.00 -0.02 0.00 -1.26 -4.78 105.19 99.08 1yll n GLY 69 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1yll n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yll n GLY 70 N -0.22 -1.70 3.15 -0.02 0.00 -1.26 -4.58 105.19 100.56 1yll n GLY 70 Ca 0.05 -2.04 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 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 0.00 0.28 -0.19 1.61 3.52 -0.15 -1.92 118.95 122.11 1yll s ARG 72 Ca 0.00 0.66 -0.05 0.00 -0.13 0.00 0.00 55.73 56.20 1yll s ARG 72 Cb 0.00 -0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.29 1yll s ARG 72 CO 0.00 -0.17 0.01 -0.51 -0.81 0.00 0.00 175.30 173.82 1yll s LEU 73 N 1.39 3.41 -0.37 -0.88 1.43 -1.26 -0.98 118.68 121.42 1yll s LEU 73 Ca -0.09 -0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 1yll s LEU 73 Cb -0.10 -1.86 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 1yll s LEU 73 CO -0.10 0.11 0.36 -0.60 0.23 0.00 0.00 176.35 176.35 1yll s ARG 74 N 0.70 3.39 -0.29 1.70 3.52 0.07 -0.39 118.95 127.65 1yll s ARG 74 Ca 0.00 -0.59 -0.04 0.00 -0.13 0.00 0.00 55.73 54.98 1yll s ARG 74 Cb -0.14 -3.86 0.03 0.00 -1.56 0.00 0.00 34.95 29.42 1yll s ARG 74 CO 0.02 -0.61 0.03 0.08 -0.81 0.00 0.00 175.30 174.01 1yll s VAL 75 N 1.97 3.43 -1.43 7.11 1.01 0.37 -1.65 120.40 131.22 1yll s VAL 75 Ca 0.10 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 1yll s VAL 75 Cb -0.17 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.41 1yll s VAL 75 CO 0.12 0.03 0.67 0.47 0.00 0.00 0.00 175.10 176.39 1yll n ASP 76 N 4.75 -1.81 0.00 3.32 8.00 -0.30 -1.36 116.55 129.14 1yll n ASP 76 Ca -0.14 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.46 1yll n ASP 76 Cb 0.46 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.01 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 -1.72 2.61 3.62 0.44 0.00 -1.26 -5.01 105.19 103.86 1yll n GLY 77 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.15 3.56 -0.04 4.61 0.00 -0.47 -5.05 121.76 122.22 1yll s ALA 78 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 1yll s ALA 78 Cb 0.00 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 1yll s ALA 78 CO 0.00 -0.45 1.04 -1.21 0.00 0.00 0.00 175.76 175.14 1yll s GLU 79 N 1.60 4.47 0.98 0.00 2.02 -1.26 -0.48 118.70 126.02 1yll s GLU 79 Ca 0.11 1.48 -0.15 0.00 0.02 0.00 0.00 54.97 56.43 1yll s GLU 79 Cb -0.15 -3.49 0.18 0.00 0.10 0.00 0.00 34.13 30.77 1yll s GLU 79 CO 0.09 -0.22 1.17 -1.54 0.02 0.00 0.00 175.26 174.78 1yll s SER 80 N 1.11 2.92 0.74 -0.19 1.04 0.48 -4.98 113.70 114.81 1yll s SER 80 Ca 0.52 0.74 -0.11 0.00 0.48 0.00 0.00 55.95 57.57 1yll s SER 80 Cb -0.21 -1.12 0.04 0.00 0.10 0.00 0.00 66.02 64.83 1yll s SER 80 CO 0.24 -2.90 1.12 0.00 0.98 0.00 0.00 173.24 172.68 1yll s ALA 81 N -3.37 2.83 0.16 5.32 0.00 -1.26 -4.65 121.76 120.79 1yll s ALA 81 Ca 0.67 -0.49 -0.32 0.00 0.00 0.00 0.00 51.96 51.82 1yll s ALA 81 Cb -0.11 -2.97 -0.12 0.00 0.00 0.00 0.00 23.12 19.91 1yll s ALA 81 CO 0.54 -1.33 1.72 -2.30 0.00 0.00 0.00 175.76 174.39 1yll n PRO 82 N -3.10 2.57 -3.69 0.00 -0.02 -1.26 -4.63 135.00 124.87 1yll n PRO 82 Ca 0.07 0.93 -0.37 0.00 -2.02 0.00 0.00 63.50 62.11 1yll n PRO 82 Cb 0.59 -2.77 -0.12 0.00 -0.02 0.00 0.00 33.50 31.18 1yll n PRO 82 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1yll s LEU 83 N 1.65 3.65 0.54 2.45 1.43 -1.26 -5.02 118.68 122.12 1yll s LEU 83 Ca 0.79 -0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.82 1yll s LEU 83 Cb -0.56 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 43.71 1yll s LEU 83 CO 0.36 -0.04 0.48 -0.13 0.23 0.00 0.00 176.35 177.25 1yll s ARG 84 N 1.66 2.29 0.09 1.70 1.81 -1.26 -4.30 118.95 120.95 1yll s ARG 84 Ca 0.07 -1.89 -0.36 0.00 -1.72 0.00 0.00 55.73 51.82 1yll s ARG 84 Cb -0.15 -2.24 -0.17 0.00 -0.45 0.00 0.00 34.95 31.93 1yll s ARG 84 CO 0.06 -0.62 1.20 0.00 -0.68 0.00 0.00 175.30 175.26 1yll n ALA 85 N -1.84 -1.71 -2.18 2.13 0.00 -1.26 -2.10 120.51 113.54 1yll n ALA 85 Ca 0.03 0.52 -0.21 0.00 0.00 0.00 0.00 53.44 53.78 1yll n ALA 85 Cb 0.63 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 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 2.03 -1.64 -3.54 0.00 1.74 0.11 -4.92 116.66 110.43 1yll n ARG 86 Ca 0.18 1.06 -0.41 0.00 -0.77 0.00 0.00 57.85 57.91 1yll n ARG 86 Cb 0.18 -5.65 -0.07 0.00 -1.02 0.00 0.00 32.46 25.90 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 -4.69 2.82 0.36 5.56 -0.21 -0.89 -4.90 119.66 117.70 1yll s GLN 87 Ca 0.00 -2.21 -0.28 0.00 0.02 0.00 0.00 55.36 52.89 1yll s GLN 87 Cb 0.00 -4.00 -0.10 0.00 1.00 0.00 0.00 33.01 29.91 1yll s GLN 87 CO 0.00 -1.22 1.34 0.00 -2.12 0.00 0.00 175.29 173.29 1yll s ALA 88 N 0.57 3.45 -0.05 6.09 0.00 -1.26 -4.56 121.76 126.01 1yll s ALA 88 Ca 0.13 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1yll s ALA 88 Cb -0.20 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.44 1yll s ALA 88 CO -0.04 -0.76 -0.02 0.12 0.00 0.00 0.00 175.76 175.06 1yll s PHE 89 N -1.17 0.60 -0.11 0.00 5.36 0.49 -4.96 117.98 118.20 1yll s PHE 89 Ca 0.52 -0.14 -0.05 0.00 -0.96 0.00 0.00 56.93 56.30 1yll s PHE 89 Cb -0.41 -0.63 -0.04 0.00 -0.34 0.00 0.00 43.02 41.61 1yll s PHE 89 CO 0.54 -0.21 0.08 0.00 -1.46 0.00 0.00 175.22 174.17 1yll s ALA 90 N 1.24 3.64 0.16 11.12 0.00 -1.26 -0.82 121.76 135.83 1yll s ALA 90 Ca -0.06 -0.71 -0.19 0.00 0.00 0.00 0.00 51.96 51.00 1yll s ALA 90 Cb -0.14 -1.78 0.05 0.00 0.00 0.00 0.00 23.12 21.25 1yll s ALA 90 CO -0.02 0.59 0.51 -0.59 0.00 0.00 0.00 175.76 176.26 1yll s PHE 91 N -0.93 -0.32 0.18 0.00 -0.12 -0.40 -5.00 117.98 111.39 1yll s PHE 91 Ca 0.14 0.03 -0.24 0.00 -0.05 0.00 0.00 56.93 56.81 1yll s PHE 91 Cb -0.12 0.41 -0.08 0.00 -0.63 0.00 0.00 43.02 42.60 1yll s PHE 91 CO 0.03 -0.81 0.77 0.45 -0.05 0.00 0.00 175.22 175.61 1yll s SER 92 N -2.80 7.33 0.05 1.98 0.15 -1.26 -0.76 113.70 118.39 1yll s SER 92 Ca 0.04 1.61 0.15 0.00 0.70 0.00 0.00 55.95 58.45 1yll s SER 92 Cb 0.00 -2.49 0.64 0.00 -1.71 0.00 0.00 66.02 62.46 1yll s SER 92 CO -0.10 0.17 1.47 0.61 1.20 0.00 0.00 173.24 176.59 1yll n GLY 93 N 1.42 -1.00 0.07 9.45 0.00 0.84 -1.54 105.19 114.44 1yll n GLY 93 Ca -0.05 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 0.68 -4.84 1.61 8.00 -1.26 -1.98 116.55 117.11 1yll n ASP 94 Ca 0.03 0.29 -0.31 0.00 0.71 0.00 0.00 54.79 55.51 1yll n ASP 94 Cb 0.16 -0.24 0.02 0.00 -0.02 0.00 0.00 41.12 41.04 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 -4.17 5.92 -0.26 -2.24 0.01 -0.59 -5.02 113.70 107.36 1yll s SER 95 Ca 0.09 1.58 -0.16 0.00 1.31 0.00 0.00 55.95 58.77 1yll s SER 95 Cb 0.14 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 1yll s SER 95 CO 0.66 -1.07 0.41 -1.61 0.41 0.00 0.00 173.24 172.04 1yll s GLU 96 N -4.75 4.05 -0.05 12.44 2.02 -1.26 -4.87 118.70 126.28 1yll s GLU 96 Ca 0.58 0.14 0.05 0.00 0.02 0.00 0.00 54.97 55.76 1yll s GLU 96 Cb -0.13 -3.64 -0.01 0.00 0.10 0.00 0.00 34.13 30.46 1yll s GLU 96 CO 0.47 -0.26 -0.20 0.08 0.02 0.00 0.00 175.26 175.37 1yll s VAL 97 N 2.02 1.66 -0.06 2.63 1.01 -1.26 -1.15 120.40 125.24 1yll s VAL 97 Ca 0.17 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.36 1yll s VAL 97 Cb -0.16 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1yll s VAL 97 CO 0.09 0.47 -0.22 -2.28 0.00 0.00 0.00 175.10 173.16 1yll s HIS 98 N -0.04 2.25 -0.22 5.22 5.04 -0.66 -1.36 115.29 125.52 1yll s HIS 98 Ca -0.04 -0.74 -0.07 0.00 -1.54 0.00 0.00 55.06 52.68 1yll s HIS 98 Cb -0.12 -1.50 -0.03 0.00 0.04 0.00 0.00 32.58 30.97 1yll s HIS 98 CO 0.03 -0.26 0.05 0.00 -2.34 0.00 0.00 174.74 172.22 1yll s THR 100 N 1.16 4.11 0.02 0.00 2.01 -0.15 -1.33 115.64 121.46 1yll s THR 100 Ca 0.04 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 1yll s THR 100 Cb -0.14 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1yll s THR 100 CO 0.03 0.23 1.08 -0.76 -0.69 0.00 0.00 174.62 174.51 1yll s LEU 101 N 1.56 4.36 0.10 4.42 1.43 -1.26 -0.98 118.68 128.31 1yll s LEU 101 Ca 0.05 1.81 -0.14 0.00 -1.03 0.00 0.00 54.13 54.82 1yll s LEU 101 Cb -0.16 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.39 1yll s LEU 101 CO 0.03 -0.36 1.39 -0.07 0.23 0.00 0.00 176.35 177.56 1yll h LEU 102 N 6.88 0.84 -5.00 1.79 3.38 -1.66 -3.42 115.31 118.12 1yll h LEU 102 Ca -0.41 -0.52 -0.17 0.00 0.09 0.00 0.00 57.88 56.86 1yll h LEU 102 Cb 1.21 -0.24 -0.15 0.00 0.09 0.00 0.00 40.66 41.58 1yll h LEU 102 CO 0.78 1.21 -0.43 -0.67 0.09 0.00 0.00 178.44 179.42 1yll n ASP 103 N -4.14 -2.87 0.00 -0.43 2.03 -1.26 -5.03 116.55 104.85 1yll n ASP 103 Ca -0.05 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.31 1yll n ASP 103 Cb 0.56 1.67 0.00 0.00 -0.72 0.00 0.00 41.12 42.63 1yll n ASP 103 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yll n GLY 104 N 2.07 0.03 3.68 0.27 0.00 -1.26 -4.12 105.19 105.86 1yll n GLY 104 Ca 0.11 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 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 0.52 0.25 -2.16 4.61 0.00 -1.26 -4.62 120.51 117.85 1yll n ALA 105 Ca 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 1yll n ALA 105 Cb 0.00 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.11 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 -1.85 0.09 -0.02 0.00 -4.36 -0.38 -4.28 121.20 110.39 1yll s ILE 106 Ca 0.76 -1.92 0.06 0.00 -0.26 0.00 0.00 60.65 59.30 1yll s ILE 106 Cb -0.33 -2.10 -0.02 0.00 1.25 0.00 0.00 42.46 41.27 1yll s ILE 106 CO 0.48 -0.41 -0.21 -0.13 0.24 0.00 0.00 174.94 174.90 1yll s ARG 107 N -4.06 1.79 0.34 0.37 1.81 -0.81 -1.34 118.95 117.06 1yll s ARG 107 Ca 0.26 -0.77 0.04 0.00 -1.72 0.00 0.00 55.73 53.54 1yll s ARG 107 Cb 0.07 -1.71 -0.06 0.00 -0.45 0.00 0.00 34.95 32.80 1yll s ARG 107 CO 0.03 0.45 0.05 0.16 -0.68 0.00 0.00 175.30 175.31 1yll s ASP 108 N -0.46 2.56 -0.10 0.23 1.47 0.27 0.08 116.67 120.72 1yll s ASP 108 Ca 0.07 -1.38 0.03 0.00 1.18 0.00 0.00 52.55 52.44 1yll s ASP 108 Cb -0.09 -0.11 0.01 0.00 -0.34 0.00 0.00 42.92 42.40 1yll s ASP 108 CO -0.00 -0.60 -0.18 0.12 0.68 0.00 0.00 175.17 175.19 1yll s PHE 109 N -3.23 2.16 -0.04 2.11 5.36 0.43 -1.44 117.98 123.33 1yll s PHE 109 Ca 0.36 -0.96 0.04 0.00 -0.96 0.00 0.00 56.93 55.41 1yll s PHE 109 Cb 0.09 -1.50 0.00 0.00 -0.34 0.00 0.00 43.02 41.26 1yll s PHE 109 CO 0.16 -0.45 -0.15 -0.80 -1.46 0.00 0.00 175.22 172.52 1yll s ASN 110 N 0.72 1.93 -0.13 6.13 0.01 0.30 -1.20 114.94 122.69 1yll s ASN 110 Ca -0.12 -0.32 0.01 0.00 -0.71 0.00 0.00 52.86 51.72 1yll s ASN 110 Cb -0.16 -0.59 -0.01 0.00 0.41 0.00 0.00 41.25 40.90 1yll s ASN 110 CO 0.02 0.12 -0.15 -0.22 -1.51 0.00 0.00 177.10 175.36 1yll s LEU 111 N 0.16 2.57 -0.08 0.60 0.20 -0.33 -1.25 118.68 120.55 1yll s LEU 111 Ca -0.05 -0.39 0.02 0.00 0.69 0.00 0.00 54.13 54.40 1yll s LEU 111 Cb -0.12 -1.57 0.01 0.00 -0.43 0.00 0.00 46.19 44.09 1yll s LEU 111 CO 0.02 0.15 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.48 1yll s ILE 112 N 0.44 1.19 0.08 6.68 1.01 -0.24 -0.96 121.20 129.40 1yll s ILE 112 Ca -0.11 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 1yll s ILE 112 Cb -0.16 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.22 1yll s ILE 112 CO 0.05 0.37 0.25 -0.72 0.00 0.00 0.00 174.94 174.90 1yll s TYR 113 N 0.84 0.03 -0.49 3.97 -0.85 -0.43 -0.43 117.35 119.99 1yll s TYR 113 Ca -0.11 -0.37 -0.25 0.00 -0.52 0.00 0.00 57.07 55.83 1yll s TYR 113 Cb -0.15 0.03 0.03 0.00 0.38 0.00 0.00 41.96 42.25 1yll s TYR 113 CO 0.02 -0.56 0.90 0.00 -1.52 0.00 0.00 175.55 174.39 1yll s ALA 114 N -3.50 3.22 0.37 9.51 0.00 0.05 -0.18 121.76 131.23 1yll s ALA 114 Ca 0.02 -0.99 0.32 0.00 0.00 0.00 0.00 51.96 51.31 1yll s ALA 114 Cb 0.03 -3.64 1.57 0.00 0.00 0.00 0.00 23.12 21.07 1yll s ALA 114 CO -0.09 -2.15 2.09 -1.00 0.00 0.00 0.00 175.76 174.61 1yll h PRO 115 N 9.14 0.00 -0.00 0.00 0.13 -1.79 -1.55 132.00 137.92 1yll h PRO 115 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 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 1.04 0.08 -0.06 0.54 -0.23 0.00 0.00 178.00 179.37 1yll n ARG 116 N -3.39 0.94 0.00 0.86 1.74 -1.26 -4.01 116.66 111.53 1yll n ARG 116 Ca -0.01 -0.31 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 1yll n ARG 116 Cb 0.24 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1yll n ARG 116 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1yll n ARG 117 N -0.76 2.11 -3.73 5.56 1.85 -0.86 -4.84 116.66 115.99 1yll n ARG 117 Ca 0.18 -0.12 -0.16 0.00 -1.00 0.00 0.00 57.85 56.75 1yll n ARG 117 Cb 0.25 -0.49 -0.16 0.00 -1.05 0.00 0.00 32.46 31.01 1yll n ARG 117 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1yll s HIS 118 N -0.34 0.01 -0.00 2.89 3.76 -0.64 0.11 115.29 121.08 1yll s HIS 118 Ca 0.00 0.23 -0.19 0.00 -0.15 0.00 0.00 55.06 54.96 1yll s HIS 118 Cb 0.00 -0.29 -0.06 0.00 1.11 0.00 0.00 32.58 33.34 1yll s HIS 118 CO 0.00 -0.14 0.53 1.03 -0.85 0.00 0.00 174.74 175.31 1yll s ARG 119 N 1.47 4.21 0.13 1.40 0.52 0.08 -4.52 118.95 122.24 1yll s ARG 119 Ca -0.04 0.62 0.06 0.00 -0.52 0.00 0.00 55.73 55.85 1yll s ARG 119 Cb -0.13 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 1yll s ARG 119 CO -0.03 0.47 -0.14 0.00 0.02 0.00 0.00 175.30 175.61 1yll s ALA 120 N -0.47 1.57 -0.06 2.13 0.00 -1.26 -0.99 121.76 122.68 1yll s ALA 120 Ca 0.28 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 1yll s ALA 120 Cb -0.18 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1yll s ALA 120 CO 0.16 0.09 0.16 0.50 0.00 0.00 0.00 175.76 176.67 1yll s ARG 121 N -2.88 0.18 -0.03 0.00 3.52 0.07 -4.97 118.95 114.84 1yll s ARG 121 Ca 0.11 0.24 -0.01 0.00 -0.13 0.00 0.00 55.73 55.94 1yll s ARG 121 Cb -0.04 0.07 0.03 0.00 -1.56 0.00 0.00 34.95 33.46 1yll s ARG 121 CO 0.03 -0.03 0.04 -1.17 -0.81 0.00 0.00 175.30 173.37 1yll s LEU 122 N 0.17 0.67 -0.12 -0.88 0.20 -1.26 -0.89 118.68 116.57 1yll s LEU 122 Ca -0.01 0.06 -0.06 0.00 0.69 0.00 0.00 54.13 54.82 1yll s LEU 122 Cb -0.02 -0.09 0.05 0.00 -0.43 0.00 0.00 46.19 45.70 1yll s LEU 122 CO -0.00 -0.18 0.27 -1.58 -0.29 0.00 0.00 176.35 174.57 1yll s GLN 123 N 1.54 0.24 0.08 1.98 0.74 -0.25 -4.99 119.66 119.00 1yll s GLN 123 Ca -0.03 0.58 -0.30 0.00 0.05 0.00 0.00 55.36 55.66 1yll s GLN 123 Cb -0.13 -0.10 -0.05 0.00 1.10 0.00 0.00 33.01 33.83 1yll s GLN 123 CO -0.03 -0.16 0.95 -1.58 -0.55 0.00 0.00 175.29 173.91 1yll s TRP 124 N 1.30 3.77 0.01 1.67 0.52 -1.26 -0.97 118.94 123.97 1yll s TRP 124 Ca -0.09 1.75 0.02 0.00 0.02 0.00 0.00 56.10 57.79 1yll s TRP 124 Cb -0.10 -3.05 -0.01 0.00 -1.15 0.00 0.00 33.47 29.16 1yll s TRP 124 CO -0.09 0.16 -0.07 -0.51 0.02 0.00 0.00 176.95 176.46 1yll s LEU 125 N 0.25 2.07 -0.32 2.99 1.43 0.19 -4.98 118.68 120.31 1yll s LEU 125 Ca 0.47 -0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.28 1yll s LEU 125 Cb -0.22 -0.29 0.02 0.00 0.03 0.00 0.00 46.19 45.73 1yll s LEU 125 CO 0.29 0.01 0.10 -0.60 0.23 0.00 0.00 176.35 176.38 1yll s ARG 126 N -0.50 2.93 -0.29 1.70 3.52 -1.26 -0.62 118.95 124.42 1yll s ARG 126 Ca -0.00 -0.97 -0.29 0.00 -0.13 0.00 0.00 55.73 54.34 1yll s ARG 126 Cb -0.04 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.93 1yll s ARG 126 CO -0.00 -0.53 1.05 0.08 -0.81 0.00 0.00 175.30 175.09 1yll s VAL 127 N 1.48 4.57 -0.43 7.11 1.01 0.18 -4.87 120.40 129.44 1yll s VAL 127 Ca 0.01 1.79 0.03 0.00 0.00 0.00 0.00 61.98 63.82 1yll s VAL 127 Cb -0.18 -4.38 0.12 0.00 0.00 0.00 0.00 36.38 31.94 1yll s VAL 127 CO 0.03 -0.39 0.18 -1.61 0.00 0.00 0.00 175.10 173.31 1yll s GLU 128 N 3.50 1.53 0.00 2.72 2.02 -1.26 -1.48 118.70 125.73 1yll s GLU 128 Ca 0.44 -2.10 0.00 0.00 0.02 0.00 0.00 54.97 53.34 1yll s GLU 128 Cb -0.13 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.21 1yll s GLU 128 CO 0.13 -1.07 0.00 0.41 0.02 0.00 0.00 175.26 174.75 1yll n GLY 129 N 3.71 2.24 3.44 -1.39 0.00 -1.22 -4.81 105.19 107.16 1yll n GLY 129 Ca 0.05 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 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 0.96 0.04 1.61 2.12 -1.26 -1.46 118.70 120.70 1yll s GLU 130 Ca 0.00 0.11 -0.16 0.00 0.36 0.00 0.00 54.97 55.29 1yll s GLU 130 Cb 0.00 0.45 0.03 0.00 0.26 0.00 0.00 34.13 34.86 1yll s GLU 130 CO 0.00 -0.30 0.35 -0.48 -0.54 0.00 0.00 175.26 174.29 1yll s LEU 131 N -1.27 0.68 0.21 2.70 0.05 -0.46 -4.99 118.68 115.60 1yll s LEU 131 Ca -0.11 -0.08 -0.12 0.00 0.05 0.00 0.00 54.13 53.87 1yll s LEU 131 Cb -0.01 1.50 -0.00 0.00 -2.05 0.00 0.00 46.19 45.62 1yll s LEU 131 CO 0.08 -0.61 0.41 1.51 -0.55 0.00 0.00 176.35 177.18 1yll s ASP 132 N -1.95 -0.06 0.22 1.48 -4.77 -1.26 -0.52 116.67 109.81 1yll s ASP 132 Ca -0.06 -0.88 -0.22 0.00 -3.30 0.00 0.00 52.55 48.09 1yll s ASP 132 Cb -0.01 0.53 0.04 0.00 -1.09 0.00 0.00 42.92 42.39 1yll s ASP 132 CO -0.02 -1.04 0.67 -1.66 0.70 0.00 0.00 175.17 173.82 1yll s TRP 133 N -3.99 -0.35 -0.04 2.11 -2.14 -0.60 -5.02 118.94 108.92 1yll s TRP 133 Ca 0.20 -0.00 0.07 0.00 2.66 0.00 0.00 56.10 59.03 1yll s TRP 133 Cb 0.01 0.64 -0.02 0.00 -3.10 0.00 0.00 33.47 31.00 1yll s TRP 133 CO 0.05 -1.06 -0.24 -1.01 -2.66 0.00 0.00 176.95 172.03 1yll s HIS 134 N -3.83 2.42 0.06 1.66 3.76 -1.26 -1.19 115.29 116.91 1yll s HIS 134 Ca 0.07 -0.53 -0.24 0.00 -0.15 0.00 0.00 55.06 54.20 1yll s HIS 134 Cb -0.04 -1.56 0.06 0.00 1.11 0.00 0.00 32.58 32.15 1yll s HIS 134 CO -0.02 -0.09 0.58 0.20 -0.85 0.00 0.00 174.74 174.56 1yll s GLY 135 N -0.43 -0.52 0.00 -2.22 0.00 -0.18 -4.93 107.32 99.04 1yll s GLY 135 Ca 0.04 0.71 0.24 0.00 0.00 0.00 0.00 44.72 45.71 1yll s GLY 135 CO 0.01 0.38 1.31 2.41 0.00 0.00 0.00 173.10 177.22 1yll n THR 136 N 0.25 0.00 -1.61 0.90 -1.04 -1.26 -0.57 114.28 110.95 1yll n THR 136 Ca -0.18 -0.38 -0.48 0.00 -2.04 0.00 0.00 64.05 60.96 1yll n THR 136 Cb 0.61 1.22 -0.04 0.00 -1.82 0.00 0.00 70.33 70.30 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 0.73 -0.27 0.09 2.41 0.00 -1.26 -4.64 120.51 117.56 1yll n ALA 137 Ca 0.14 0.46 -0.07 0.00 0.00 0.00 0.00 53.44 53.96 1yll n ALA 137 Cb 0.52 -2.11 0.04 0.00 0.00 0.00 0.00 19.45 17.90 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 3.90 0.24 -3.32 0.00 4.64 -1.75 -3.44 113.55 113.83 1yll h SER 138 Ca -0.44 -0.18 -0.67 0.00 -0.47 0.00 0.00 61.79 60.02 1yll h SER 138 Cb 1.32 -0.07 -0.33 0.00 -0.31 0.00 0.00 62.40 63.01 1yll h SER 138 CO 0.74 0.93 -0.88 -0.89 -0.87 0.00 0.00 176.83 175.86 1yll s THR 139 N -3.40 2.03 -0.06 2.95 2.01 -0.83 -1.30 115.64 117.04 1yll s THR 139 Ca -0.03 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 60.99 1yll s THR 139 Cb 0.11 -1.76 0.01 0.00 0.01 0.00 0.00 72.50 70.87 1yll s THR 139 CO 0.81 0.55 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.96 1yll s LEU 140 N 0.43 1.65 -0.19 4.42 2.96 -0.49 -1.38 118.68 126.08 1yll s LEU 140 Ca -0.17 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 53.45 1yll s LEU 140 Cb -0.18 -0.80 0.01 0.00 0.50 0.00 0.00 46.19 45.73 1yll s LEU 140 CO 0.07 0.04 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.22 1yll s LEU 141 N 0.62 2.34 -0.30 -0.68 1.43 0.40 -0.61 118.68 121.89 1yll s LEU 141 Ca -0.13 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 1yll s LEU 141 Cb -0.15 -1.55 0.07 0.00 0.03 0.00 0.00 46.19 44.59 1yll s LEU 141 CO 0.03 0.00 -0.02 -0.22 0.23 0.00 0.00 176.35 176.38 1yll s LEU 142 N 1.30 4.03 -0.20 1.79 1.98 -0.04 -0.97 118.68 126.57 1yll s LEU 142 Ca 0.04 -1.63 -0.14 0.00 -2.89 0.00 0.00 54.13 49.52 1yll s LEU 142 Cb -0.14 -1.63 -0.04 0.00 0.66 0.00 0.00 46.19 45.04 1yll s LEU 142 CO -0.09 -0.28 0.30 0.12 -1.89 0.00 0.00 176.35 174.50 1yll s PHE 143 N 1.08 3.38 -0.23 5.38 5.36 -0.41 -0.62 117.98 131.92 1yll s PHE 143 Ca -0.02 0.50 -0.13 0.00 -0.96 0.00 0.00 56.93 56.32 1yll s PHE 143 Cb -0.20 -2.40 -0.04 0.00 -0.34 0.00 0.00 43.02 40.04 1yll s PHE 143 CO -0.05 0.08 0.28 0.00 -1.46 0.00 0.00 175.22 174.07 1yll s ALA 144 N 1.01 3.58 -0.02 11.12 0.00 -0.58 -0.23 121.76 136.64 1yll s ALA 144 Ca 0.15 -0.75 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 1yll s ALA 144 Cb -0.14 -2.49 -0.33 0.00 0.00 0.00 0.00 23.12 20.16 1yll s ALA 144 CO 0.06 -0.30 0.86 0.37 0.00 0.00 0.00 175.76 176.75 1yll h GLN 145 N 7.57 0.42 -6.18 0.00 4.15 -1.42 0.53 115.11 120.17 1yll h GLN 145 Ca -0.36 -0.72 -0.54 0.00 0.77 0.00 0.00 58.65 57.80 1yll h GLN 145 Cb 1.17 0.27 -0.05 0.00 0.21 0.00 0.00 27.48 29.07 1yll h GLN 145 CO 0.67 1.34 -0.53 -0.65 -1.93 0.00 0.00 178.83 177.74 1yll s GLN 146 N -2.53 3.02 0.51 1.69 -0.21 -1.21 -3.71 119.66 117.21 1yll s GLN 146 Ca -0.13 -0.88 -0.21 0.00 0.02 0.00 0.00 55.36 54.17 1yll s GLN 146 Cb 0.03 -2.68 -0.07 0.00 1.00 0.00 0.00 33.01 31.30 1yll s GLN 146 CO 0.88 0.46 1.13 0.34 -2.12 0.00 0.00 175.29 175.98 1yll s ASP 147 N -3.40 5.92 0.00 5.90 3.68 -1.26 -4.15 116.67 123.36 1yll s ASP 147 Ca 0.32 2.18 0.00 0.00 2.13 0.00 0.00 52.55 57.18 1yll s ASP 147 Cb -0.09 -2.58 0.00 0.00 -1.45 0.00 0.00 42.92 38.79 1yll s ASP 147 CO 0.25 -1.08 0.00 0.61 0.13 0.00 0.00 175.17 175.08 1yll n GLY 148 N 0.20 0.70 3.01 2.66 0.00 -0.55 -4.86 105.19 106.36 1yll n GLY 148 Ca 0.10 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.32 1.60 0.05 1.61 1.01 -1.10 -4.26 120.40 116.99 1yll s VAL 149 Ca 0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 1yll s VAL 149 Cb 0.00 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1yll s VAL 149 CO 0.00 0.36 0.30 0.00 0.00 0.00 0.00 175.10 175.76 1yll s ALA 150 N 1.45 3.84 -0.05 5.51 0.00 -0.19 0.01 121.76 132.34 1yll s ALA 150 Ca 0.03 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.43 1yll s ALA 150 Cb -0.14 -2.07 0.01 0.00 0.00 0.00 0.00 23.12 20.92 1yll s ALA 150 CO -0.10 0.67 -0.12 0.42 0.00 0.00 0.00 175.76 176.63 1yll s ILE 151 N -1.41 1.07 0.07 0.00 1.01 -0.40 -1.19 121.20 120.36 1yll s ILE 151 Ca 0.32 -0.47 0.09 0.00 0.00 0.00 0.00 60.65 60.59 1yll s ILE 151 Cb -0.13 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 1yll s ILE 151 CO 0.19 0.33 -0.22 -0.44 0.00 0.00 0.00 174.94 174.81 1yll s SER 152 N 0.49 3.53 -0.08 3.58 0.01 -0.14 0.05 113.70 121.15 1yll s SER 152 Ca -0.11 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 56.60 1yll s SER 152 Cb -0.14 -0.43 0.02 0.00 0.21 0.00 0.00 66.02 65.69 1yll s SER 152 CO 0.03 0.23 -0.07 -0.22 0.41 0.00 0.00 173.24 173.61 1yll s LEU 153 N -1.63 1.27 -1.53 2.44 2.96 -0.24 -1.70 118.68 120.25 1yll s LEU 153 Ca 0.14 -0.23 -0.14 0.00 -0.22 0.00 0.00 54.13 53.69 1yll s LEU 153 Cb -0.10 -0.69 0.09 0.00 0.50 0.00 0.00 46.19 45.99 1yll s LEU 153 CO 0.05 -0.07 0.96 0.00 -1.32 0.00 0.00 176.35 175.97 1yll n GLN 154 N 4.42 -5.41 0.00 1.98 1.13 -0.24 -1.00 117.38 118.26 1yll n GLN 154 Ca -0.18 0.60 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 1yll n GLN 154 Cb 0.51 -5.48 0.00 0.00 0.11 0.00 0.00 30.24 25.37 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 -1.67 2.80 3.66 1.08 0.00 -1.26 -5.02 105.19 104.79 1yll n GLY 155 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.07 4.16 0.30 1.61 -0.21 -0.17 -5.03 119.66 120.26 1yll s GLN 156 Ca 0.00 0.26 -0.29 0.00 0.02 0.00 0.00 55.36 55.35 1yll s GLN 156 Cb 0.00 -3.56 -0.10 0.00 1.00 0.00 0.00 33.01 30.35 1yll s GLN 156 CO 0.00 -0.11 1.41 -2.14 -2.12 0.00 0.00 175.29 172.34 1yll s PRO 157 N 1.52 4.26 0.00 2.91 0.02 -1.26 -1.08 135.00 141.37 1yll s PRO 157 Ca 0.20 2.34 0.04 0.00 0.02 0.00 0.00 61.00 63.60 1yll s PRO 157 Cb -0.15 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.32 1yll s PRO 157 CO 0.09 -0.38 0.50 0.54 -0.33 0.00 0.00 177.00 177.42 1yll n ARG 158 N 1.47 1.29 0.00 5.54 5.12 0.11 -4.90 116.66 125.29 1yll n ARG 158 Ca 0.04 -0.54 0.00 0.00 -1.93 0.00 0.00 57.85 55.41 1yll n ARG 158 Cb 0.40 -0.97 0.00 0.00 -1.16 0.00 0.00 32.46 30.73 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 0.47 1.85 3.26 -0.13 0.00 -1.23 -4.94 105.19 104.47 1yll n GLY 159 Ca 0.02 -1.97 -0.25 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.42 1.27 -0.11 1.61 1.11 -1.26 -1.28 119.66 119.58 1yll s GLN 160 Ca 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 55.36 54.34 1yll s GLN 160 Cb 0.00 -1.43 -0.03 0.00 -1.01 0.00 0.00 33.01 30.54 1yll s GLN 160 CO 0.00 0.35 -0.01 -0.51 0.01 0.00 0.00 175.29 175.13 1yll s LEU 161 N -1.42 3.47 0.58 2.90 1.02 0.10 -4.95 118.68 120.38 1yll s LEU 161 Ca 0.07 0.05 0.03 0.00 0.02 0.00 0.00 54.13 54.29 1yll s LEU 161 Cb -0.09 -1.81 0.06 0.00 0.02 0.00 0.00 46.19 44.38 1yll s LEU 161 CO 0.03 0.30 0.81 0.00 0.02 0.00 0.00 176.35 177.51 1yll s ALA 162 N -0.43 4.05 0.16 4.21 0.00 -1.26 -1.48 121.76 127.01 1yll s ALA 162 Ca 0.08 -1.61 -0.34 0.00 0.00 0.00 0.00 51.96 50.09 1yll s ALA 162 Cb -0.12 -1.90 -0.14 0.00 0.00 0.00 0.00 23.12 20.95 1yll s ALA 162 CO 0.02 -0.90 1.48 0.00 0.00 0.00 0.00 175.76 176.36 1yll n ALA 163 N -2.40 0.70 -0.81 0.00 0.00 -1.26 -1.30 120.51 115.45 1yll n ALA 163 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1yll n ALA 163 Cb 0.60 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 2.87 0.00 -1.45 0.00 8.25 0.18 -4.76 115.22 120.31 1yll n HIS 164 Ca 0.16 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.32 1yll n HIS 164 Cb 0.27 -0.70 0.10 0.00 1.12 0.00 0.00 29.99 30.78 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 -2.48 4.25 -0.13 0.41 -0.00 -0.42 -4.33 116.67 113.97 1yll s ASP 165 Ca 0.00 1.38 -0.06 0.00 -0.00 0.00 0.00 52.55 53.87 1yll s ASP 165 Cb 0.00 -2.10 0.06 0.00 -0.00 0.00 0.00 42.92 40.88 1yll s ASP 165 CO 0.00 -2.13 0.29 0.00 -0.00 0.00 0.00 175.17 173.33 1yll s LEU 167 N 1.84 4.53 -0.13 0.00 0.20 0.21 -0.24 118.68 125.09 1yll s LEU 167 Ca -0.05 1.94 -0.01 0.00 0.69 0.00 0.00 54.13 56.70 1yll s LEU 167 Cb -0.11 -3.76 0.04 0.00 -0.43 0.00 0.00 46.19 41.93 1yll s LEU 167 CO -0.09 0.04 -0.01 0.00 -0.29 0.00 0.00 176.35 176.00 1yll s ALA 169 N 1.83 2.04 0.02 0.00 0.00 0.22 -1.07 121.76 124.81 1yll s ALA 169 Ca 0.03 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 1yll s ALA 169 Cb -0.14 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 1yll s ALA 169 CO -0.07 0.47 -0.03 -1.21 0.00 0.00 0.00 175.76 174.92 1yll s GLU 170 N -0.43 0.34 -1.12 0.00 2.02 -0.22 -1.39 118.70 117.90 1yll s GLU 170 Ca 0.05 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.37 1yll s GLU 170 Cb -0.11 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.25 1yll s GLU 170 CO 0.00 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.64 1yll n GLY 171 N 1.43 0.80 3.77 -1.39 0.00 -0.86 -1.16 105.19 107.78 1yll n GLY 171 Ca -0.23 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.80 4.01 -0.04 0.99 1.43 -0.42 -4.18 118.68 117.68 1yll s LEU 172 Ca 0.00 2.39 0.04 0.00 -1.03 0.00 0.00 54.13 55.53 1yll s LEU 172 Cb 0.00 -4.21 -0.00 0.00 0.03 0.00 0.00 46.19 42.01 1yll s LEU 172 CO 0.00 -0.99 -0.15 -1.10 0.23 0.00 0.00 176.35 174.34 1yll s GLN 173 N -2.67 1.55 0.23 1.70 -0.21 -1.26 -4.34 119.66 114.66 1yll s GLN 173 Ca 0.64 -0.54 0.00 0.00 0.02 0.00 0.00 55.36 55.48 1yll s GLN 173 Cb -0.31 -1.37 0.00 0.00 1.00 0.00 0.00 33.01 32.33 1yll s GLN 173 CO 0.38 0.23 0.00 0.41 -2.12 0.00 0.00 175.29 174.18 1yll n GLY 174 N 3.13 -2.58 3.71 3.09 0.00 -1.26 -4.85 105.19 106.42 1yll n GLY 174 Ca -0.18 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 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 4.36 -0.04 0.99 0.20 -1.26 -4.42 118.68 118.50 1yll s LEU 175 Ca 0.00 2.02 0.03 0.00 0.69 0.00 0.00 54.13 56.87 1yll s LEU 175 Cb 0.00 -3.58 -0.03 0.00 -0.43 0.00 0.00 46.19 42.16 1yll s LEU 175 CO 0.00 -0.51 -0.11 -1.10 -0.29 0.00 0.00 176.35 174.34 1yll s GLN 176 N 1.27 2.56 -0.31 1.98 -1.52 0.26 -4.92 119.66 118.98 1yll s GLN 176 Ca 0.59 -0.67 -0.07 0.00 -1.95 0.00 0.00 55.36 53.26 1yll s GLN 176 Cb -0.30 -2.45 0.01 0.00 -0.22 0.00 0.00 33.01 30.06 1yll s GLN 176 CO 0.28 0.63 0.09 -1.58 -0.25 0.00 0.00 175.29 174.47 1yll s HIS 177 N -0.80 3.17 -0.14 0.91 5.65 -1.26 -1.01 115.29 121.81 1yll s HIS 177 Ca 0.13 -1.04 -0.05 0.00 0.25 0.00 0.00 55.06 54.35 1yll s HIS 177 Cb -0.11 -2.27 -0.04 0.00 -1.18 0.00 0.00 32.58 28.99 1yll s HIS 177 CO 0.02 -0.60 0.03 -1.58 -0.65 0.00 0.00 174.74 171.96 1yll s TRP 178 N 1.49 3.22 -0.05 3.88 0.52 -0.34 -1.08 118.94 126.58 1yll s TRP 178 Ca 0.02 0.10 0.01 0.00 0.02 0.00 0.00 56.10 56.25 1yll s TRP 178 Cb -0.18 -1.94 0.02 0.00 -1.15 0.00 0.00 33.47 30.23 1yll s TRP 178 CO 0.03 0.30 -0.05 0.50 0.02 0.00 0.00 176.95 177.75 1yll s ARG 179 N -0.24 0.91 -0.01 4.98 3.52 -0.69 -1.55 118.95 125.87 1yll s ARG 179 Ca 0.07 -0.12 0.03 0.00 -0.13 0.00 0.00 55.73 55.58 1yll s ARG 179 Cb -0.12 -0.93 -0.03 0.00 -1.56 0.00 0.00 34.95 32.31 1yll s ARG 179 CO 0.02 -0.10 -0.07 -0.51 -0.81 0.00 0.00 175.30 173.82 1yll s LEU 180 N 1.03 3.14 0.05 -0.88 1.43 0.32 -0.97 118.68 122.80 1yll s LEU 180 Ca -0.09 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1yll s LEU 180 Cb -0.14 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1yll s LEU 180 CO -0.00 0.30 -0.07 0.42 0.23 0.00 0.00 176.35 177.22 1yll s THR 181 N -0.95 0.54 -0.05 5.49 -4.23 -0.33 -1.35 115.64 114.75 1yll s THR 181 Ca 0.16 -1.20 -0.25 0.00 -1.18 0.00 0.00 61.69 59.22 1yll s THR 181 Cb -0.11 -0.75 0.05 0.00 1.34 0.00 0.00 72.50 73.03 1yll s THR 181 CO 0.06 -0.46 0.54 0.00 -0.54 0.00 0.00 174.62 174.22 1yll s ALA 182 N -1.73 -1.40 0.11 3.99 0.00 -0.54 -1.02 121.76 121.17 1yll s ALA 182 Ca -0.07 0.99 -0.05 0.00 0.00 0.00 0.00 51.96 52.82 1yll s ALA 182 Cb -0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 23.12 22.85 1yll s ALA 182 CO -0.01 -0.33 1.24 0.45 0.00 0.00 0.00 175.76 177.12 1yll h HIS 183 N 3.43 0.62 -3.65 0.00 3.86 -1.88 -3.22 115.15 114.32 1yll h HIS 183 Ca -0.28 -0.37 -0.50 0.00 -1.16 0.00 0.00 60.37 58.05 1yll h HIS 183 Cb 1.15 -0.06 -0.20 0.00 1.06 0.00 0.00 27.41 29.37 1yll h HIS 183 CO 0.43 1.22 -0.79 -1.21 0.86 0.00 0.00 177.93 178.44 1yll s GLU 184 N -3.07 1.12 0.14 2.45 0.41 -1.26 -4.85 118.70 113.65 1yll s GLU 184 Ca -0.06 -1.24 -0.34 0.00 -0.41 0.00 0.00 54.97 52.92 1yll s GLU 184 Cb 0.08 -1.21 -0.16 0.00 -1.78 0.00 0.00 34.13 31.06 1yll s GLU 184 CO 0.88 0.26 1.23 -2.30 -0.49 0.00 0.00 175.26 174.84 1yll n PRO 185 N 0.73 1.18 -3.68 0.39 -0.02 -1.26 -4.82 135.00 127.52 1yll n PRO 185 Ca -0.17 0.42 -0.16 0.00 -2.02 0.00 0.00 63.50 61.57 1yll n PRO 185 Cb 0.55 -1.97 -0.16 0.00 -0.02 0.00 0.00 33.50 31.91 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 0.05 -0.16 0.22 3.55 0.00 -0.55 -4.96 121.76 119.90 1yll s ALA 186 Ca 0.77 0.56 -0.30 0.00 0.00 0.00 0.00 51.96 52.99 1yll s ALA 186 Cb -0.88 -0.75 -0.08 0.00 0.00 0.00 0.00 23.12 21.40 1yll s ALA 186 CO 0.50 -0.50 1.04 -1.58 0.00 0.00 0.00 175.76 175.22 1yll s TRP 187 N 2.11 3.73 0.07 0.00 0.52 -1.26 -0.65 118.94 123.46 1yll s TRP 187 Ca 0.01 1.75 0.00 0.00 0.02 0.00 0.00 56.10 57.88 1yll s TRP 187 Cb -0.12 -3.17 -0.04 0.00 -1.15 0.00 0.00 33.47 28.99 1yll s TRP 187 CO -0.06 -0.18 -0.05 0.14 0.02 0.00 0.00 176.95 176.82 1yll s VAL 188 N -0.76 0.43 -0.15 4.03 -7.23 0.20 -1.07 120.40 115.86 1yll s VAL 188 Ca 0.45 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1yll s VAL 188 Cb -0.28 -1.52 0.02 0.00 0.56 0.00 0.00 36.38 35.15 1yll s VAL 188 CO 0.35 -0.91 -0.16 0.00 -0.31 0.00 0.00 175.10 174.07 1yll s ALA 190 N 1.34 3.56 -0.18 0.00 0.00 -0.15 -1.29 121.76 125.03 1yll s ALA 190 Ca 0.03 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.08 1yll s ALA 190 Cb -0.13 -2.60 0.01 0.00 0.00 0.00 0.00 23.12 20.39 1yll s ALA 190 CO -0.09 -0.57 -0.16 0.08 0.00 0.00 0.00 175.76 175.02 1yll s VAL 191 N 1.86 2.48 -0.04 0.00 1.01 -0.14 -1.09 120.40 124.48 1yll s VAL 191 Ca 0.12 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1yll s VAL 191 Cb -0.16 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 1yll s VAL 191 CO 0.10 0.51 -0.25 -1.61 0.00 0.00 0.00 175.10 173.85 1yll s GLU 192 N 1.22 2.31 0.03 2.72 2.02 -0.07 -0.45 118.70 126.47 1yll s GLU 192 Ca 0.03 -0.91 0.02 0.00 0.02 0.00 0.00 54.97 54.13 1yll s GLU 192 Cb -0.14 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 31.97 1yll s GLU 192 CO -0.08 0.49 -0.07 -0.51 0.02 0.00 0.00 175.26 175.11 1yll s LEU 193 N -0.43 2.16 0.01 1.80 1.43 -0.48 -0.75 118.68 122.43 1yll s LEU 193 Ca 0.04 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 1yll s LEU 193 Cb -0.12 -0.22 -0.01 0.00 0.03 0.00 0.00 46.19 45.87 1yll s LEU 193 CO 0.01 -0.10 -0.10 -1.81 0.23 0.00 0.00 176.35 174.59 1yll s ASP 194 N -1.04 1.14 0.33 2.29 -0.00 -0.16 -1.96 116.67 117.27 1yll s ASP 194 Ca -0.05 -0.30 -0.26 0.00 -0.00 0.00 0.00 52.55 51.94 1yll s ASP 194 Cb -0.07 -0.09 -0.10 0.00 -0.00 0.00 0.00 42.92 42.67 1yll s ASP 194 CO 0.00 0.04 0.96 -0.44 -0.00 0.00 0.00 175.17 175.73 1yll s SER 195 N -0.67 7.29 0.00 0.27 0.01 -1.26 -0.75 113.70 118.59 1yll s SER 195 Ca 0.01 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.15 1yll s SER 195 Cb -0.06 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1yll s SER 195 CO 0.00 -0.11 0.00 0.18 0.41 0.00 0.00 173.24 173.73