#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o5p s ALA 2 N 0.00 2.35 0.83 0.00 0.00 -1.26 -5.06 121.76 118.62 1o5p s ALA 2 Ca 0.00 -2.25 -0.13 0.00 0.00 0.00 0.00 51.96 49.58 1o5p s ALA 2 Cb 0.00 -1.84 0.08 0.00 0.00 0.00 0.00 23.12 21.36 1o5p s ALA 2 CO 0.00 -1.72 1.09 -2.30 0.00 0.00 0.00 175.76 172.83 1o5p n PRO 3 N 4.38 0.05 -1.74 0.00 -0.02 -0.57 -4.24 135.00 132.86 1o5p n PRO 3 Ca 0.02 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1o5p n PRO 3 Cb 0.41 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1o5p n PRO 3 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1o5p n THR 4 N -3.41 0.00 -3.64 3.45 5.66 0.50 -4.86 114.28 111.97 1o5p n THR 4 Ca 0.13 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.09 1o5p n THR 4 Cb 0.51 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.22 1o5p n THR 4 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1o5p s ALA 5 N -1.00 -2.13 -0.30 1.79 0.00 -1.26 -1.40 121.76 117.46 1o5p s ALA 5 Ca 0.00 2.29 -0.00 0.00 0.00 0.00 0.00 51.96 54.25 1o5p s ALA 5 Cb 0.00 -1.61 0.06 0.00 0.00 0.00 0.00 23.12 21.57 1o5p s ALA 5 CO 0.00 -0.37 -0.01 -0.08 0.00 0.00 0.00 175.76 175.30 1o5p s THR 6 N 1.47 2.74 -0.05 0.00 -1.32 -0.24 -4.85 115.64 113.39 1o5p s THR 6 Ca -0.09 -1.56 0.05 0.00 -1.21 0.00 0.00 61.69 58.88 1o5p s THR 6 Cb -0.04 -2.63 -0.02 0.00 -1.51 0.00 0.00 72.50 68.29 1o5p s THR 6 CO -0.17 -0.15 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.20 1o5p s VAL 7 N 1.18 2.56 -0.23 5.08 1.01 -1.26 -0.17 120.40 128.57 1o5p s VAL 7 Ca -0.04 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 1o5p s VAL 7 Cb -0.20 -1.96 0.16 0.00 0.00 0.00 0.00 36.38 34.38 1o5p s VAL 7 CO -0.03 0.58 1.20 -0.89 0.00 0.00 0.00 175.10 175.96 1o5p s THR 8 N -0.50 0.00 0.47 3.92 2.01 -0.26 -4.51 115.64 116.78 1o5p s THR 8 Ca 0.06 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.86 1o5p s THR 8 Cb -0.11 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.30 1o5p s THR 8 CO 0.01 0.00 0.99 -2.16 -0.69 0.00 0.00 174.62 172.77 1o5p s PRO 9 N -1.04 3.98 0.08 4.92 0.05 -1.26 -0.70 135.00 141.03 1o5p s PRO 9 Ca 0.04 1.19 0.16 0.00 0.05 0.00 0.00 61.00 62.44 1o5p s PRO 9 Cb -0.01 -2.13 -0.12 0.00 0.05 0.00 0.00 34.50 32.29 1o5p s PRO 9 CO -0.04 -0.25 0.92 0.66 0.05 0.00 0.00 177.00 178.33 1o5p h SER 10 N 1.56 0.00 -4.16 6.66 4.64 -1.89 -3.45 113.55 116.91 1o5p h SER 10 Ca -0.49 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.46 1o5p h SER 10 Cb 1.20 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 1o5p h SER 10 CO 0.60 0.62 -0.62 -0.55 -0.87 0.00 0.00 176.83 176.01 1o5p s SER 11 N -5.94 1.52 -0.43 4.97 0.15 -1.26 0.22 113.70 112.93 1o5p s SER 11 Ca -0.02 -1.34 -0.02 0.00 0.70 0.00 0.00 55.95 55.27 1o5p s SER 11 Cb 0.08 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1o5p s SER 11 CO 0.80 -0.66 0.32 0.61 1.20 0.00 0.00 173.24 175.51 1o5p n GLY 12 N -0.48 0.45 0.13 9.45 0.00 -1.16 -4.91 105.19 108.68 1o5p n GLY 12 Ca -0.02 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 1o5p n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1o5p n LEU 13 N -1.76 2.51 -0.93 0.99 4.77 -1.26 -5.05 117.00 116.27 1o5p n LEU 13 Ca -0.01 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1o5p n LEU 13 Cb 0.52 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1o5p n LEU 13 CO 0.18 0.74 -0.27 -0.24 -1.33 0.00 0.00 177.39 176.47 1o5p n SER 14 N -3.69 -5.29 -4.47 -1.43 2.88 -1.26 -3.85 113.62 96.51 1o5p n SER 14 Ca -0.39 0.86 -0.46 0.00 -1.33 0.00 0.00 58.87 57.55 1o5p n SER 14 Cb 0.95 -2.47 -0.08 0.00 -0.75 0.00 0.00 64.21 61.86 1o5p n SER 14 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1o5p n ASP 15 N -1.35 1.68 0.00 -3.46 5.75 -1.26 -1.94 116.55 115.97 1o5p n ASP 15 Ca 0.00 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 1o5p n ASP 15 Cb 0.10 -1.24 0.00 0.00 -1.03 0.00 0.00 41.12 38.95 1o5p n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1o5p n GLY 16 N 6.47 1.52 0.46 6.12 0.00 -1.26 -5.05 105.19 113.44 1o5p n GLY 16 Ca 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.46 1o5p n GLY 16 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1o5p n THR 17 N -0.68 0.00 -4.58 2.61 5.66 -0.82 -4.95 114.28 111.52 1o5p n THR 17 Ca 0.00 -0.24 -0.22 0.00 -3.05 0.00 0.00 64.05 60.54 1o5p n THR 17 Cb 0.00 -0.73 -0.15 0.00 -1.55 0.00 0.00 70.33 67.90 1o5p n THR 17 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1o5p s VAL 18 N 0.19 1.03 0.20 1.08 1.01 -1.26 -1.91 120.40 120.74 1o5p s VAL 18 Ca 0.06 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 61.59 1o5p s VAL 18 Cb -0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1o5p s VAL 18 CO 0.04 0.29 -0.11 0.68 0.00 0.00 0.00 175.10 176.00 1o5p s VAL 19 N -0.23 3.03 -0.36 2.92 -7.23 0.17 -4.77 120.40 113.94 1o5p s VAL 19 Ca 0.04 -1.83 -0.09 0.00 -1.81 0.00 0.00 61.98 58.29 1o5p s VAL 19 Cb -0.06 -2.52 0.04 0.00 0.56 0.00 0.00 36.38 34.40 1o5p s VAL 19 CO -0.00 -0.18 0.16 -0.75 -0.31 0.00 0.00 175.10 174.02 1o5p s LYS 20 N -2.99 2.71 -0.11 4.82 2.20 0.12 -0.82 119.74 125.67 1o5p s LYS 20 Ca 0.26 -1.15 -0.05 0.00 -0.36 0.00 0.00 55.97 54.67 1o5p s LYS 20 Cb -0.08 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1o5p s LYS 20 CO 0.15 -0.70 0.07 0.54 -0.36 0.00 0.00 175.35 175.05 1o5p s VAL 21 N 1.48 4.93 0.12 4.02 0.11 -0.86 -1.10 120.40 129.09 1o5p s VAL 21 Ca 0.00 -0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.08 1o5p s VAL 21 Cb -0.20 -3.12 -0.04 0.00 -1.53 0.00 0.00 36.38 31.50 1o5p s VAL 21 CO 0.05 0.61 -0.10 0.00 -3.33 0.00 0.00 175.10 172.33 1o5p s ALA 22 N -0.92 1.26 -0.19 1.54 0.00 0.76 -1.64 121.76 122.56 1o5p s ALA 22 Ca 0.14 -1.34 -0.04 0.00 0.00 0.00 0.00 51.96 50.71 1o5p s ALA 22 Cb -0.12 0.05 0.07 0.00 0.00 0.00 0.00 23.12 23.11 1o5p s ALA 22 CO 0.03 -0.08 0.09 0.20 0.00 0.00 0.00 175.76 176.00 1o5p s GLY 23 N -2.82 0.43 -0.02 0.00 0.00 0.23 -1.08 107.32 104.07 1o5p s GLY 23 Ca 0.11 -0.48 0.05 0.00 0.00 0.00 0.00 44.72 44.40 1o5p s GLY 23 CO -0.00 1.72 -0.14 0.00 0.00 0.00 0.00 173.10 174.67 1o5p s ALA 24 N 2.08 2.69 0.00 3.20 0.00 -0.49 0.41 121.76 129.65 1o5p s ALA 24 Ca 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1o5p s ALA 24 Cb -0.16 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1o5p s ALA 24 CO -0.12 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.62 1o5p n GLY 25 N 1.99 0.50 3.97 0.00 0.00 -0.99 0.19 105.19 110.84 1o5p n GLY 25 Ca -0.17 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 1o5p n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1o5p s LEU 26 N 0.00 2.98 -0.85 0.99 1.43 -0.94 -1.51 118.68 120.79 1o5p s LEU 26 Ca 0.00 -0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 52.79 1o5p s LEU 26 Cb 0.00 -2.50 -0.18 0.00 0.03 0.00 0.00 46.19 43.54 1o5p s LEU 26 CO 0.00 -1.71 2.60 0.00 0.23 0.00 0.00 176.35 177.47 1o5p n GLN 27 N -2.83 0.31 -1.23 1.70 3.00 -1.26 -4.13 117.38 112.94 1o5p n GLN 27 Ca 0.12 -0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.91 1o5p n GLN 27 Cb 0.60 -2.08 -0.10 0.00 0.00 0.00 0.00 30.24 28.67 1o5p n GLN 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1o5p n ALA 28 N 12.05 0.36 0.00 -1.58 0.00 -1.24 -1.25 120.51 128.85 1o5p n ALA 28 Ca 0.57 -2.08 0.00 0.00 0.00 0.00 0.00 53.44 51.94 1o5p n ALA 28 Cb 0.19 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 16.76 1o5p n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o5p n GLY 29 N 5.52 0.49 2.73 0.00 0.00 0.91 -4.82 105.19 110.03 1o5p n GLY 29 Ca 0.35 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.17 1o5p n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o5p s THR 30 N -0.61 -0.28 -0.13 2.61 -4.23 -0.38 -4.88 115.64 107.75 1o5p s THR 30 Ca 0.00 -0.08 -0.40 0.00 -1.18 0.00 0.00 61.69 60.03 1o5p s THR 30 Cb 0.00 -0.62 -0.17 0.00 1.34 0.00 0.00 72.50 73.05 1o5p s THR 30 CO 0.00 -0.19 1.49 0.00 -0.54 0.00 0.00 174.62 175.39 1o5p n ALA 31 N 5.31 -1.03 -2.50 3.99 0.00 -1.26 -2.72 120.51 122.30 1o5p n ALA 31 Ca -0.06 0.47 -0.29 0.00 0.00 0.00 0.00 53.44 53.57 1o5p n ALA 31 Cb 0.49 -2.08 -0.11 0.00 0.00 0.00 0.00 19.45 17.75 1o5p n ALA 31 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1o5p s TYR 32 N 1.89 2.54 0.10 0.00 2.02 0.14 -4.53 117.35 119.51 1o5p s TYR 32 Ca 0.93 -0.26 0.02 0.00 -0.37 0.00 0.00 57.07 57.39 1o5p s TYR 32 Cb -1.10 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 39.10 1o5p s TYR 32 CO 0.59 0.41 0.19 -0.51 -1.57 0.00 0.00 175.55 174.66 1o5p s ASP 33 N -2.27 6.08 -0.10 2.29 1.11 0.69 -1.92 116.67 122.55 1o5p s ASP 33 Ca 0.19 0.14 -0.02 0.00 0.18 0.00 0.00 52.55 53.04 1o5p s ASP 33 Cb -0.10 -1.78 0.04 0.00 1.07 0.00 0.00 42.92 42.14 1o5p s ASP 33 CO 0.11 0.13 0.02 0.54 1.18 0.00 0.00 175.17 177.15 1o5p s VAL 34 N -1.57 0.31 0.26 -1.27 0.11 -0.95 -0.81 120.40 116.49 1o5p s VAL 34 Ca 0.33 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 59.23 1o5p s VAL 34 Cb -0.12 -0.58 0.07 0.00 -1.53 0.00 0.00 36.38 34.22 1o5p s VAL 34 CO 0.26 0.13 0.88 0.61 -3.33 0.00 0.00 175.10 173.66 1o5p n GLY 35 N 5.16 0.80 3.46 6.54 0.00 -0.93 -0.12 105.19 120.10 1o5p n GLY 35 Ca -0.07 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1o5p n GLY 35 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1o5p s GLN 36 N -2.06 3.03 0.06 1.61 -2.07 -1.26 -2.57 119.66 116.39 1o5p s GLN 36 Ca 0.19 -0.97 0.05 0.00 -1.82 0.00 0.00 55.36 52.80 1o5p s GLN 36 Cb -0.04 -3.93 -0.03 0.00 -1.09 0.00 0.00 33.01 27.93 1o5p s GLN 36 CO 0.08 -0.70 -0.13 0.00 -1.32 0.00 0.00 175.29 173.21 1o5p s ALA 38 N -1.18 1.91 -0.35 0.00 0.00 -0.69 -1.67 121.76 119.77 1o5p s ALA 38 Ca -0.02 -0.96 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 1o5p s ALA 38 Cb -0.09 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1o5p s ALA 38 CO 0.02 0.43 0.43 -1.58 0.00 0.00 0.00 175.76 175.06 1o5p s TRP 39 N -0.36 3.19 -0.90 0.00 0.51 -1.26 -1.75 118.94 118.37 1o5p s TRP 39 Ca 0.04 0.03 0.16 0.00 -2.12 0.00 0.00 56.10 54.21 1o5p s TRP 39 Cb -0.10 -2.80 0.58 0.00 -0.81 0.00 0.00 33.47 30.33 1o5p s TRP 39 CO 0.01 -0.50 1.49 1.33 -0.51 0.00 0.00 176.95 178.77 1o5p n VAL 40 N 5.34 1.71 -1.43 4.03 0.24 -0.89 -4.77 118.33 122.56 1o5p n VAL 40 Ca -0.07 -1.29 0.00 0.00 -2.04 0.00 0.00 64.34 60.94 1o5p n VAL 40 Cb 0.49 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 1o5p n VAL 40 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1o5p n ASP 41 N 0.65 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 113.09 1o5p n ASP 41 Ca 0.21 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.35 1o5p n ASP 41 Cb 0.77 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.84 1o5p n ASP 41 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1o5p s THR 42 N -2.43 3.39 0.00 -3.53 -1.32 -1.26 -2.76 115.64 107.73 1o5p s THR 42 Ca 0.00 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 1o5p s THR 42 Cb 0.00 -4.01 0.00 0.00 -1.51 0.00 0.00 72.50 66.98 1o5p s THR 42 CO 0.00 -0.97 0.00 0.61 -2.21 0.00 0.00 174.62 172.05 1o5p n GLY 43 N 5.92 0.67 3.14 6.08 0.00 -1.26 -5.04 105.19 114.70 1o5p n GLY 43 Ca 0.24 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 1o5p n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o5p s VAL 44 N -2.00 2.99 -0.32 1.61 1.01 -1.11 -4.99 120.40 117.59 1o5p s VAL 44 Ca 0.00 -1.66 0.02 0.00 0.00 0.00 0.00 61.98 60.33 1o5p s VAL 44 Cb 0.00 -2.85 0.08 0.00 0.00 0.00 0.00 36.38 33.61 1o5p s VAL 44 CO 0.00 -0.31 0.02 -0.22 0.00 0.00 0.00 175.10 174.59 1o5p s LEU 45 N 1.19 4.30 -0.42 3.92 2.96 -1.26 -2.10 118.68 127.26 1o5p s LEU 45 Ca -0.00 -1.76 -0.17 0.00 -0.22 0.00 0.00 54.13 51.98 1o5p s LEU 45 Cb -0.21 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.86 1o5p s LEU 45 CO -0.03 -0.33 0.40 0.00 -1.32 0.00 0.00 176.35 175.07 1o5p s ALA 46 N 1.06 3.45 0.36 5.97 0.00 -0.72 -3.46 121.76 128.42 1o5p s ALA 46 Ca 0.02 -1.61 0.08 0.00 0.00 0.00 0.00 51.96 50.44 1o5p s ALA 46 Cb -0.20 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1o5p s ALA 46 CO -0.05 -1.57 0.30 0.00 0.00 0.00 0.00 175.76 174.44 1o5p s ASN 48 N -4.01 4.03 0.00 0.00 2.47 -0.85 -0.66 114.94 115.91 1o5p s ASN 48 Ca 0.43 -0.33 0.00 0.00 0.42 0.00 0.00 52.86 53.38 1o5p s ASN 48 Cb -0.04 -1.62 0.00 0.00 -1.45 0.00 0.00 41.25 38.14 1o5p s ASN 48 CO 0.26 0.16 0.31 -0.81 -3.72 0.00 0.00 177.10 173.31 1o5p n PRO 49 N 3.54 0.56 -0.04 0.43 -0.05 -1.26 -2.83 135.00 135.36 1o5p n PRO 49 Ca -0.18 0.00 0.08 0.00 -0.05 0.00 0.00 63.50 63.35 1o5p n PRO 49 Cb 0.53 -1.28 0.09 0.00 -0.05 0.00 0.00 33.50 32.79 1o5p n PRO 49 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1o5p n ALA 50 N 0.27 2.44 -1.45 0.55 0.00 -1.26 -4.30 120.51 116.76 1o5p n ALA 50 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 53.44 52.74 1o5p n ALA 50 Cb 0.16 -0.54 0.01 0.00 0.00 0.00 0.00 19.45 19.08 1o5p n ALA 50 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1o5p n ASP 51 N 0.88 0.23 -4.57 0.00 5.75 -1.13 -2.37 116.55 115.33 1o5p n ASP 51 Ca 0.10 -1.66 -0.41 0.00 -0.01 0.00 0.00 54.79 52.82 1o5p n ASP 51 Cb 0.40 -0.12 -0.02 0.00 -1.03 0.00 0.00 41.12 40.35 1o5p n ASP 51 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1o5p s PHE 52 N -0.21 2.58 0.00 2.11 0.40 -1.25 -3.23 117.98 118.38 1o5p s PHE 52 Ca 0.02 -1.05 0.00 0.00 -0.60 0.00 0.00 56.93 55.30 1o5p s PHE 52 Cb 0.02 -4.67 0.00 0.00 0.51 0.00 0.00 43.02 38.87 1o5p s PHE 52 CO 0.00 -1.86 0.00 0.43 0.70 0.00 0.00 175.22 174.49 1o5p n SER 53 N 9.08 0.16 0.00 1.36 7.64 0.83 -4.90 113.62 127.79 1o5p n SER 53 Ca 0.40 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1o5p n SER 53 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1o5p n SER 53 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1o5p n SER 54 N -1.91 0.00 -3.53 6.43 2.88 -1.26 -2.23 113.62 114.00 1o5p n SER 54 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1o5p n SER 54 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1o5p n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1o5p s VAL 55 N -0.83 0.02 0.00 2.46 0.11 -0.81 -4.96 120.40 116.39 1o5p s VAL 55 Ca 0.00 -0.19 -0.06 0.00 -2.93 0.00 0.00 61.98 58.80 1o5p s VAL 55 Cb 0.00 -1.01 -0.05 0.00 -1.53 0.00 0.00 36.38 33.79 1o5p s VAL 55 CO 0.00 -0.11 0.25 -0.89 -3.33 0.00 0.00 175.10 171.03 1o5p s THR 56 N -2.93 5.32 -0.37 5.04 2.01 -1.26 0.26 115.64 123.71 1o5p s THR 56 Ca -0.03 0.12 -0.28 0.00 0.31 0.00 0.00 61.69 61.82 1o5p s THR 56 Cb -0.00 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1o5p s THR 56 CO -0.06 0.36 2.05 0.00 -0.69 0.00 0.00 174.62 176.28 1o5p s ALA 57 N -1.30 2.50 0.00 7.40 0.00 -1.10 -4.68 121.76 124.58 1o5p s ALA 57 Ca 0.27 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1o5p s ALA 57 Cb -0.13 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.85 1o5p s ALA 57 CO 0.16 -3.20 0.00 -0.40 0.00 0.00 0.00 175.76 172.32 1o5p n ASP 58 N 12.10 0.00 -0.05 0.00 5.75 -1.26 0.31 116.55 133.40 1o5p n ASP 58 Ca 0.27 0.00 -0.08 0.00 -0.01 0.00 0.00 54.79 54.97 1o5p n ASP 58 Cb 0.48 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.56 1o5p n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1o5p h ALA 59 N -2.06 0.19 0.02 2.12 0.00 -1.92 -3.19 119.26 114.43 1o5p h ALA 59 Ca 0.00 0.07 -0.39 0.00 0.00 0.00 0.00 54.91 54.59 1o5p h ALA 59 Cb 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1o5p h ALA 59 CO 0.00 -0.43 -2.39 0.27 0.00 0.00 0.00 179.25 176.70 1o5p n ASN 60 N -5.15 1.98 0.00 0.00 6.94 -1.26 -4.53 115.26 113.23 1o5p n ASN 60 Ca -0.02 -0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.47 1o5p n ASN 60 Cb 0.12 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.07 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1o5p n GLY 61 N 2.20 0.67 3.70 4.83 0.00 -1.21 -2.20 105.19 113.18 1o5p n GLY 61 Ca -0.43 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 1o5p n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1o5p s SER 62 N -0.98 6.14 -0.20 1.61 1.04 -1.22 -2.36 113.70 117.72 1o5p s SER 62 Ca 0.00 0.18 -0.03 0.00 0.48 0.00 0.00 55.95 56.58 1o5p s SER 62 Cb 0.00 -2.09 0.07 0.00 0.10 0.00 0.00 66.02 64.10 1o5p s SER 62 CO 0.00 0.14 0.06 0.00 0.98 0.00 0.00 173.24 174.43 1o5p s ALA 63 N 0.57 0.86 -0.11 5.32 0.00 0.17 -4.60 121.76 123.97 1o5p s ALA 63 Ca 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1o5p s ALA 63 Cb -0.12 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 21.83 1o5p s ALA 63 CO 0.00 -1.25 -0.09 -1.12 0.00 0.00 0.00 175.76 173.30 1o5p s SER 64 N 1.94 2.21 -0.02 0.00 0.01 -1.26 0.78 113.70 117.35 1o5p s SER 64 Ca 0.01 -0.33 -0.11 0.00 1.31 0.00 0.00 55.95 56.84 1o5p s SER 64 Cb -0.17 -0.89 0.01 0.00 0.21 0.00 0.00 66.02 65.19 1o5p s SER 64 CO -0.12 -0.09 0.23 0.28 0.41 0.00 0.00 173.24 173.95 1o5p s THR 65 N 1.54 0.06 -0.17 1.44 -1.32 -0.65 -4.99 115.64 111.54 1o5p s THR 65 Ca 0.02 -0.48 -0.11 0.00 -1.21 0.00 0.00 61.69 59.91 1o5p s THR 65 Cb -0.13 -0.49 -0.05 0.00 -1.51 0.00 0.00 72.50 70.32 1o5p s THR 65 CO -0.07 -0.26 0.20 -0.94 -2.21 0.00 0.00 174.62 171.34 1o5p s SER 66 N -1.08 6.33 0.26 8.08 1.04 -1.26 -2.04 113.70 125.03 1o5p s SER 66 Ca -0.12 0.38 0.06 0.00 0.48 0.00 0.00 55.95 56.75 1o5p s SER 66 Cb -0.06 -2.13 -0.06 0.00 0.10 0.00 0.00 66.02 63.88 1o5p s SER 66 CO 0.02 0.17 -0.05 -1.48 0.98 0.00 0.00 173.24 172.88 1o5p s LEU 67 N 0.27 2.42 -0.23 2.42 0.05 0.00 -4.89 118.68 118.72 1o5p s LEU 67 Ca 0.12 -1.18 -0.14 0.00 0.05 0.00 0.00 54.13 52.98 1o5p s LEU 67 Cb -0.12 -0.54 -0.04 0.00 -2.05 0.00 0.00 46.19 43.43 1o5p s LEU 67 CO 0.01 -0.37 0.31 0.42 -0.55 0.00 0.00 176.35 176.17 1o5p s THR 68 N -3.12 5.25 0.01 5.48 -4.23 -1.00 0.44 115.64 118.47 1o5p s THR 68 Ca 0.28 0.50 0.01 0.00 -1.18 0.00 0.00 61.69 61.31 1o5p s THR 68 Cb 0.04 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 1o5p s THR 68 CO 0.10 0.26 -0.04 0.68 -0.54 0.00 0.00 174.62 175.08 1o5p s VAL 69 N 1.39 0.32 0.00 2.29 -7.23 -0.80 -3.99 120.40 112.38 1o5p s VAL 69 Ca 0.14 -0.44 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 1o5p s VAL 69 Cb -0.15 -0.32 0.00 0.00 0.56 0.00 0.00 36.38 36.47 1o5p s VAL 69 CO 0.07 -0.09 0.00 -2.11 -0.31 0.00 0.00 175.10 172.66 1o5p n ARG 70 N 2.49 0.00 0.00 4.82 1.85 -1.26 -4.22 116.66 120.34 1o5p n ARG 70 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 1o5p n ARG 70 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 1o5p n ARG 70 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1o5p n ARG 71 N 0.00 0.00 -1.76 2.89 3.00 -1.26 -4.68 116.66 114.84 1o5p n ARG 71 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.43 1o5p n ARG 71 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 32.46 32.15 1o5p n ARG 71 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1o5p n SER 72 N -0.04 3.81 -3.62 0.55 7.64 -1.26 -1.77 113.62 118.92 1o5p n SER 72 Ca 0.00 1.20 -0.12 0.00 1.01 0.00 0.00 58.87 60.95 1o5p n SER 72 Cb 0.00 -1.61 -0.07 0.00 -1.01 0.00 0.00 64.21 61.52 1o5p n SER 72 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1o5p s PHE 73 N -0.72 -0.65 -0.34 1.43 -0.71 -0.74 -4.83 117.98 111.41 1o5p s PHE 73 Ca 0.57 1.56 -0.33 0.00 -1.04 0.00 0.00 56.93 57.69 1o5p s PHE 73 Cb -0.48 0.32 -0.14 0.00 -1.21 0.00 0.00 43.02 41.51 1o5p s PHE 73 CO 0.58 -0.34 1.11 0.39 -1.34 0.00 0.00 175.22 175.62 1o5p n GLU 74 N 2.32 0.00 -1.26 1.99 -0.58 -1.26 -1.08 120.64 120.77 1o5p n GLU 74 Ca -0.14 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.36 1o5p n GLU 74 Cb 0.56 -1.05 -0.00 0.00 -0.57 0.00 0.00 31.44 30.37 1o5p n GLU 74 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1o5p n GLY 75 N 2.75 4.42 3.29 0.62 0.00 -0.20 -2.75 105.19 113.31 1o5p n GLY 75 Ca 0.21 -1.63 -0.60 0.00 0.00 0.00 0.00 46.02 44.00 1o5p n GLY 75 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1o5p n PHE 76 N 0.47 1.31 -3.02 1.61 3.01 0.16 -2.21 117.46 118.79 1o5p n PHE 76 Ca 0.43 0.86 -0.40 0.00 1.01 0.00 0.00 57.45 59.35 1o5p n PHE 76 Cb 0.56 -2.18 -0.05 0.00 -0.01 0.00 0.00 39.48 37.80 1o5p n PHE 76 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1o5p s LEU 77 N 4.81 4.25 -0.28 4.37 2.96 -0.71 -1.73 118.68 132.36 1o5p s LEU 77 Ca 1.11 1.13 -0.02 0.00 -0.22 0.00 0.00 54.13 56.13 1o5p s LEU 77 Cb -1.44 -3.09 -0.03 0.00 0.50 0.00 0.00 46.19 42.13 1o5p s LEU 77 CO 0.69 -0.21 1.37 0.33 -1.32 0.00 0.00 176.35 177.20 1o5p n PHE 78 N 4.34 0.41 -1.95 5.38 7.35 -1.22 -2.88 117.46 128.89 1o5p n PHE 78 Ca 0.00 -0.91 0.00 0.00 -0.76 0.00 0.00 57.45 55.78 1o5p n PHE 78 Cb 0.50 -0.94 0.00 0.00 0.35 0.00 0.00 39.48 39.40 1o5p n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1o5p n ASP 79 N 4.36 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.46 1o5p n ASP 79 Ca 0.15 -0.95 0.00 0.00 -1.51 0.00 0.00 54.79 52.48 1o5p n ASP 79 Cb 0.08 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.54 1o5p n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1o5p n GLY 80 N 0.00 2.79 3.90 0.27 0.00 -1.14 -4.99 105.19 106.02 1o5p n GLY 80 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1o5p n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o5p s THR 81 N -1.00 5.00 -0.17 2.61 -4.23 -1.26 -4.96 115.64 111.63 1o5p s THR 81 Ca 0.00 0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.56 1o5p s THR 81 Cb 0.00 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 1o5p s THR 81 CO 0.00 -0.33 0.08 0.00 -0.54 0.00 0.00 174.62 173.83 1o5p s ARG 82 N -3.54 3.88 0.40 3.99 1.70 -1.26 -1.73 118.95 122.39 1o5p s ARG 82 Ca 0.45 -0.30 0.24 0.00 -0.47 0.00 0.00 55.73 55.64 1o5p s ARG 82 Cb -0.11 -3.21 0.43 0.00 -0.57 0.00 0.00 34.95 31.49 1o5p s ARG 82 CO 0.30 0.37 1.64 2.35 -1.08 0.00 0.00 175.30 178.88 1o5p h TRP 83 N 6.37 0.00 0.00 5.89 7.01 -1.77 -3.46 115.95 129.99 1o5p h TRP 83 Ca -0.41 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.59 1o5p h TRP 83 Cb 1.17 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 1o5p h TRP 83 CO 0.59 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.65 1o5p n GLY 84 N 1.12 1.34 3.60 2.65 0.00 -1.26 -4.90 105.19 107.75 1o5p n GLY 84 Ca 0.04 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 1o5p n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o5p s THR 85 N -1.50 3.21 -0.62 2.61 2.01 -1.26 -1.04 115.64 119.06 1o5p s THR 85 Ca 0.00 0.22 -0.27 0.00 0.31 0.00 0.00 61.69 61.95 1o5p s THR 85 Cb 0.00 -3.28 0.03 0.00 0.01 0.00 0.00 72.50 69.26 1o5p s THR 85 CO 0.00 -0.17 1.17 -0.69 -0.69 0.00 0.00 174.62 174.23 1o5p s VAL 86 N 7.61 4.01 -0.26 3.82 1.01 -0.24 -4.69 120.40 131.66 1o5p s VAL 86 Ca 0.91 0.64 -0.28 0.00 0.00 0.00 0.00 61.98 63.25 1o5p s VAL 86 Cb -0.29 -4.74 -0.04 0.00 0.00 0.00 0.00 36.38 31.31 1o5p s VAL 86 CO 0.35 -1.44 2.00 -1.81 0.00 0.00 0.00 175.10 174.20 1o5p s ASP 87 N 3.16 5.73 0.00 3.32 1.01 -1.26 -1.80 116.67 126.82 1o5p s ASP 87 Ca 0.38 1.66 0.07 0.00 0.71 0.00 0.00 52.55 55.37 1o5p s ASP 87 Cb -0.09 -2.52 0.36 0.00 1.01 0.00 0.00 42.92 41.69 1o5p s ASP 87 CO 0.21 -1.78 1.06 0.00 0.21 0.00 0.00 175.17 174.87 1o5p n THR 89 N -1.26 0.00 -0.05 0.00 -2.24 -1.26 -4.03 114.28 105.44 1o5p n THR 89 Ca 0.04 -0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.60 1o5p n THR 89 Cb 0.05 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 1o5p n THR 89 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1o5p n THR 90 N -0.55 0.56 -3.66 4.28 -2.24 -0.18 -5.06 114.28 107.42 1o5p n THR 90 Ca 0.21 -0.14 -0.25 0.00 -2.27 0.00 0.00 64.05 61.60 1o5p n THR 90 Cb 0.23 -1.64 0.02 0.00 -2.10 0.00 0.00 70.33 66.84 1o5p n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o5p n ALA 91 N -3.46 0.97 -2.84 6.98 0.00 -1.19 -5.10 120.51 115.87 1o5p n ALA 91 Ca -0.20 -2.22 -0.39 0.00 0.00 0.00 0.00 53.44 50.63 1o5p n ALA 91 Cb 0.64 0.83 -0.12 0.00 0.00 0.00 0.00 19.45 20.81 1o5p n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o5p s ALA 92 N -2.78 3.30 -0.25 0.00 0.00 -1.26 -4.70 121.76 116.07 1o5p s ALA 92 Ca 0.40 -1.35 -0.14 0.00 0.00 0.00 0.00 51.96 50.87 1o5p s ALA 92 Cb -0.03 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 1o5p s ALA 92 CO 0.25 -0.86 0.31 0.00 0.00 0.00 0.00 175.76 175.47 1o5p s GLN 94 N 1.65 3.16 -0.38 0.00 1.11 -0.67 -2.63 119.66 121.90 1o5p s GLN 94 Ca 0.13 -0.55 -0.13 0.00 0.01 0.00 0.00 55.36 54.82 1o5p s GLN 94 Cb -0.15 -2.89 0.02 0.00 -1.01 0.00 0.00 33.01 28.98 1o5p s GLN 94 CO 0.09 0.59 0.25 0.08 0.01 0.00 0.00 175.29 176.31 1o5p s VAL 95 N -1.43 4.94 0.18 1.09 1.01 0.19 -2.18 120.40 124.20 1o5p s VAL 95 Ca 0.31 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1o5p s VAL 95 Cb -0.13 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 1o5p s VAL 95 CO 0.24 -0.22 0.21 0.61 0.00 0.00 0.00 175.10 175.94 1o5p n GLY 96 N 5.08 2.95 3.70 4.51 0.00 -1.06 0.29 105.19 120.65 1o5p n GLY 96 Ca -0.12 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 1o5p n GLY 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1o5p n LEU 97 N 0.00 0.00 -3.73 0.99 4.32 -1.24 -2.20 117.00 115.15 1o5p n LEU 97 Ca 0.02 -3.26 0.00 0.00 -0.02 0.00 0.00 56.01 52.75 1o5p n LEU 97 Cb 0.31 0.44 -0.00 0.00 -1.62 0.00 0.00 43.42 42.54 1o5p n LEU 97 CO 0.15 -0.47 0.98 -0.55 -1.22 0.00 0.00 177.39 176.29 1o5p s SER 98 N -3.83 -0.06 0.00 -1.43 0.15 0.01 -4.37 113.70 104.17 1o5p s SER 98 Ca 0.02 -0.25 0.14 0.00 0.70 0.00 0.00 55.95 56.56 1o5p s SER 98 Cb 0.00 0.25 -0.14 0.00 -1.71 0.00 0.00 66.02 64.42 1o5p s SER 98 CO 0.02 -0.47 0.61 0.47 1.20 0.00 0.00 173.24 175.07 1o5p n ASP 99 N -0.66 0.75 -1.42 5.45 8.00 -1.23 0.25 116.55 127.69 1o5p n ASP 99 Ca -0.06 -0.87 -0.07 0.00 0.71 0.00 0.00 54.79 54.50 1o5p n ASP 99 Cb 0.61 0.94 0.02 0.00 -0.02 0.00 0.00 41.12 42.68 1o5p n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1o5p n ALA 100 N -1.20 -0.39 0.00 2.24 0.00 -1.26 -4.77 120.51 115.12 1o5p n ALA 100 Ca 0.03 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1o5p n ALA 100 Cb 0.23 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1o5p n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o5p n ALA 101 N -3.16 1.49 0.00 0.00 0.00 -1.26 -5.04 120.51 112.54 1o5p n ALA 101 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1o5p n ALA 101 Cb 0.52 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1o5p n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o5p n GLY 102 N 1.28 0.16 3.24 0.00 0.00 -1.26 -5.15 105.19 103.46 1o5p n GLY 102 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1o5p n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1o5p n ASN 103 N 0.00 -1.94 -0.65 1.61 5.03 -1.26 -5.07 115.26 112.99 1o5p n ASN 103 Ca 0.00 -2.40 0.00 0.00 0.87 0.00 0.00 54.58 53.05 1o5p n ASN 103 Cb 0.00 3.25 0.00 0.00 -1.02 0.00 0.00 39.78 42.01 1o5p n ASN 103 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1o5p n GLY 104 N -0.47 0.63 1.54 7.41 0.00 -1.26 -3.56 105.19 109.48 1o5p n GLY 104 Ca -0.07 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 1o5p n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1o5p n PRO 105 N 0.00 -0.83 -1.57 1.61 -0.02 -1.26 -4.95 135.00 127.98 1o5p n PRO 105 Ca 0.00 -0.39 -0.08 0.00 -2.02 0.00 0.00 63.50 61.01 1o5p n PRO 105 Cb 0.00 -0.76 0.03 0.00 -0.02 0.00 0.00 33.50 32.75 1o5p n PRO 105 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1o5p n GLU 106 N -1.29 0.62 -4.51 -0.52 0.28 -1.26 -4.70 120.64 109.26 1o5p n GLU 106 Ca 0.04 -1.11 -0.24 0.00 -0.16 0.00 0.00 57.16 55.69 1o5p n GLU 106 Cb 0.16 -0.16 -0.11 0.00 1.43 0.00 0.00 31.44 32.76 1o5p n GLU 106 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1o5p s GLY 107 N -3.18 2.23 0.16 -1.84 0.00 -1.26 -3.60 107.32 99.83 1o5p s GLY 107 Ca 0.24 -2.15 0.06 0.00 0.00 0.00 0.00 44.72 42.88 1o5p s GLY 107 CO 0.15 -1.92 0.04 0.14 0.00 0.00 0.00 173.10 171.52 1o5p s VAL 108 N -3.09 3.96 -0.25 1.40 1.01 0.15 -4.83 120.40 118.75 1o5p s VAL 108 Ca 0.36 -1.29 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 1o5p s VAL 108 Cb 0.09 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1o5p s VAL 108 CO 0.16 -0.09 0.28 0.00 0.00 0.00 0.00 175.10 175.46 1o5p s ALA 109 N -1.69 3.57 0.44 5.51 0.00 -1.26 0.57 121.76 128.89 1o5p s ALA 109 Ca 0.28 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.49 1o5p s ALA 109 Cb -0.10 -2.53 0.01 0.00 0.00 0.00 0.00 23.12 20.50 1o5p s ALA 109 CO 0.20 -0.41 0.60 0.96 0.00 0.00 0.00 175.76 177.11 1o5p s ILE 110 N 1.52 3.15 0.04 0.00 -4.36 -1.08 -4.81 121.20 115.66 1o5p s ILE 110 Ca 0.12 -0.90 -0.04 0.00 -0.26 0.00 0.00 60.65 59.57 1o5p s ILE 110 Cb -0.15 -3.09 -0.02 0.00 1.25 0.00 0.00 42.46 40.45 1o5p s ILE 110 CO 0.08 -0.04 0.05 -0.44 0.24 0.00 0.00 174.94 174.83 1o5p s SER 111 N -4.33 0.26 -0.55 4.36 0.01 0.13 -4.71 113.70 108.88 1o5p s SER 111 Ca 0.54 -0.66 0.06 0.00 1.31 0.00 0.00 55.95 57.19 1o5p s SER 111 Cb -0.10 0.21 0.21 0.00 0.21 0.00 0.00 66.02 66.55 1o5p s SER 111 CO 0.34 -0.52 0.52 0.49 0.41 0.00 0.00 173.24 174.48 1o5p n PHE 112 N 0.65 1.49 0.46 2.43 3.72 -1.26 -2.98 117.46 121.96 1o5p n PHE 112 Ca -0.18 -3.85 0.04 0.00 -0.05 0.00 0.00 57.45 53.40 1o5p n PHE 112 Cb 0.59 -0.32 0.22 0.00 -0.94 0.00 0.00 39.48 39.03 1o5p n PHE 112 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98