#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 -0.29 0.79 0.00 0.00 -1.26 -4.61 121.76 116.40 1o5p s ALA 2 Ca 0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 1o5p s ALA 2 Cb 0.00 -3.03 0.06 0.00 0.00 0.00 0.00 23.12 20.14 1o5p s ALA 2 CO 0.00 -4.05 1.09 -2.30 0.00 0.00 0.00 175.76 170.50 1o5p n PRO 3 N -5.14 0.25 -3.51 0.00 -0.02 -0.58 -4.29 135.00 121.71 1o5p n PRO 3 Ca 0.09 0.16 -0.09 0.00 -2.02 0.00 0.00 63.50 61.64 1o5p n PRO 3 Cb 0.58 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 1o5p n PRO 3 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1o5p s THR 4 N -2.05 0.00 -0.15 3.45 -4.23 1.04 -4.85 115.64 108.86 1o5p s THR 4 Ca 0.72 -0.05 -0.07 0.00 -1.18 0.00 0.00 61.69 61.11 1o5p s THR 4 Cb -0.30 -1.07 0.06 0.00 1.34 0.00 0.00 72.50 72.52 1o5p s THR 4 CO 0.52 0.00 0.34 0.00 -0.54 0.00 0.00 174.62 174.94 1o5p s ALA 5 N -3.25 -0.85 -0.40 3.99 0.00 -1.26 0.24 121.76 120.23 1o5p s ALA 5 Ca 0.05 1.30 -0.07 0.00 0.00 0.00 0.00 51.96 53.24 1o5p s ALA 5 Cb -0.01 -0.87 0.08 0.00 0.00 0.00 0.00 23.12 22.32 1o5p s ALA 5 CO -0.09 -0.32 0.22 0.95 0.00 0.00 0.00 175.76 176.52 1o5p s THR 6 N 1.55 3.95 -0.28 0.00 -4.23 -0.29 -4.80 115.64 111.54 1o5p s THR 6 Ca -0.08 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1o5p s THR 6 Cb -0.10 -3.44 0.05 0.00 1.34 0.00 0.00 72.50 70.36 1o5p s THR 6 CO -0.11 -0.48 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.75 1o5p s VAL 7 N 1.36 2.65 -0.07 2.29 1.01 -1.25 0.12 120.40 126.52 1o5p s VAL 7 Ca 0.03 -1.47 -0.18 0.00 0.00 0.00 0.00 61.98 60.35 1o5p s VAL 7 Cb -0.22 -2.53 0.04 0.00 0.00 0.00 0.00 36.38 33.66 1o5p s VAL 7 CO 0.01 -0.06 0.43 -0.89 0.00 0.00 0.00 175.10 174.58 1o5p s THR 8 N 1.19 0.03 0.36 3.92 2.01 -0.52 -4.25 115.64 118.37 1o5p s THR 8 Ca -0.07 -0.23 -0.23 0.00 0.31 0.00 0.00 61.69 61.48 1o5p s THR 8 Cb -0.20 -0.69 -0.10 0.00 0.01 0.00 0.00 72.50 71.52 1o5p s THR 8 CO -0.03 -0.13 0.92 -2.16 -0.69 0.00 0.00 174.62 172.53 1o5p s PRO 9 N -0.79 4.39 0.08 4.92 0.05 -1.26 -1.40 135.00 140.98 1o5p s PRO 9 Ca -0.09 1.17 0.19 0.00 0.05 0.00 0.00 61.00 62.32 1o5p s PRO 9 Cb -0.04 -2.55 -0.12 0.00 0.05 0.00 0.00 34.50 31.84 1o5p s PRO 9 CO 0.04 0.16 0.81 -1.13 0.05 0.00 0.00 177.00 176.93 1o5p n SER 10 N 0.06 0.74 -4.27 6.66 3.41 -1.26 -4.76 113.62 114.20 1o5p n SER 10 Ca 0.04 0.31 -0.15 0.00 -0.26 0.00 0.00 58.87 58.81 1o5p n SER 10 Cb 0.52 0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 64.80 1o5p n SER 10 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1o5p s SER 11 N -5.55 1.83 -0.17 4.04 0.01 -1.26 0.49 113.70 113.09 1o5p s SER 11 Ca -0.03 -1.05 -0.01 0.00 1.31 0.00 0.00 55.95 56.17 1o5p s SER 11 Cb 0.09 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1o5p s SER 11 CO 0.82 -0.36 0.09 0.61 0.41 0.00 0.00 173.24 174.81 1o5p n GLY 12 N -0.24 0.62 0.13 3.44 0.00 -1.14 -4.90 105.19 103.09 1o5p n GLY 12 Ca -0.09 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.79 2.47 -0.92 0.99 4.77 -1.26 -5.07 117.00 117.19 1o5p n LEU 13 Ca -0.01 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1o5p n LEU 13 Cb 0.51 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1o5p n LEU 13 CO 0.06 0.72 -0.27 -0.24 -1.33 0.00 0.00 177.39 176.33 1o5p n SER 14 N -3.71 -5.27 -4.47 -1.43 2.88 -1.26 -3.87 113.62 96.50 1o5p n SER 14 Ca -0.34 0.83 -0.46 0.00 -1.33 0.00 0.00 58.87 57.57 1o5p n SER 14 Cb 0.96 -2.42 -0.08 0.00 -0.75 0.00 0.00 64.21 61.91 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 -1.29 1.71 0.00 -3.46 5.75 -1.26 -1.97 116.55 116.03 1o5p n ASP 15 Ca 0.00 0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.96 1o5p n ASP 15 Cb 0.08 -1.24 0.00 0.00 -1.03 0.00 0.00 41.12 38.93 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 6.48 1.54 1.14 6.12 0.00 -1.26 -5.06 105.19 114.15 1o5p n GLY 16 Ca 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.45 0.00 -4.66 2.61 5.66 -0.83 -4.96 114.28 111.65 1o5p n THR 17 Ca 0.00 -0.62 -0.23 0.00 -3.05 0.00 0.00 64.05 60.15 1o5p n THR 17 Cb 0.00 -0.56 -0.15 0.00 -1.55 0.00 0.00 70.33 68.07 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 -0.52 1.15 0.21 1.08 1.01 -1.26 -1.95 120.40 120.12 1o5p s VAL 18 Ca 0.13 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.56 1o5p s VAL 18 Cb -0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1o5p s VAL 18 CO 0.08 0.31 -0.09 0.68 0.00 0.00 0.00 175.10 176.08 1o5p s VAL 19 N -0.37 3.14 -0.34 2.92 -7.23 0.17 -4.77 120.40 113.93 1o5p s VAL 19 Ca 0.05 -1.81 -0.07 0.00 -1.81 0.00 0.00 61.98 58.35 1o5p s VAL 19 Cb -0.06 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.33 1o5p s VAL 19 CO -0.00 -0.20 0.11 -0.75 -0.31 0.00 0.00 175.10 173.95 1o5p s LYS 20 N -3.08 2.62 -0.23 4.82 2.20 -0.50 -0.92 119.74 124.66 1o5p s LYS 20 Ca 0.27 -1.19 -0.07 0.00 -0.36 0.00 0.00 55.97 54.61 1o5p s LYS 20 Cb -0.08 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 1o5p s LYS 20 CO 0.16 -0.68 0.07 0.54 -0.36 0.00 0.00 175.35 175.08 1o5p s VAL 21 N 1.41 4.52 0.35 4.02 0.11 -0.89 -1.45 120.40 128.48 1o5p s VAL 21 Ca -0.01 -0.11 0.08 0.00 -2.93 0.00 0.00 61.98 59.01 1o5p s VAL 21 Cb -0.20 -3.08 -0.04 0.00 -1.53 0.00 0.00 36.38 31.52 1o5p s VAL 21 CO 0.03 0.38 0.14 0.00 -3.33 0.00 0.00 175.10 172.32 1o5p s ALA 22 N 1.18 3.50 -0.22 1.54 0.00 0.33 -2.30 121.76 125.78 1o5p s ALA 22 Ca 0.05 -1.89 -0.03 0.00 0.00 0.00 0.00 51.96 50.08 1o5p s ALA 22 Cb -0.14 -0.64 0.10 0.00 0.00 0.00 0.00 23.12 22.43 1o5p s ALA 22 CO 0.03 -0.00 0.24 0.20 0.00 0.00 0.00 175.76 176.23 1o5p s GLY 23 N -3.85 -0.02 -0.06 0.00 0.00 0.26 -1.14 107.32 102.52 1o5p s GLY 23 Ca 0.38 0.15 0.05 0.00 0.00 0.00 0.00 44.72 45.30 1o5p s GLY 23 CO 0.22 2.25 -0.19 0.00 0.00 0.00 0.00 173.10 175.38 1o5p s ALA 24 N 2.33 2.43 0.00 3.20 0.00 0.67 0.75 121.76 131.14 1o5p s ALA 24 Ca 0.08 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1o5p s ALA 24 Cb -0.15 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.12 1o5p s ALA 24 CO -0.16 0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.48 1o5p n GLY 25 N 2.67 0.81 3.98 0.00 0.00 -0.97 0.34 105.19 112.02 1o5p n GLY 25 Ca -0.17 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.67 -1.53 118.68 121.03 1o5p s LEU 26 Ca 0.00 -0.16 -0.26 0.00 -1.03 0.00 0.00 54.13 52.67 1o5p s LEU 26 Cb 0.00 -2.27 -0.19 0.00 0.03 0.00 0.00 46.19 43.75 1o5p s LEU 26 CO 0.00 -1.79 2.53 0.00 0.23 0.00 0.00 176.35 177.32 1o5p n GLN 27 N -2.85 0.31 -1.20 1.70 3.00 -1.26 -4.14 117.38 112.94 1o5p n GLN 27 Ca 0.13 -0.06 -0.19 0.00 -0.01 0.00 0.00 57.00 56.87 1o5p n GLN 27 Cb 0.60 -2.10 -0.10 0.00 0.00 0.00 0.00 30.24 28.64 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 11.85 0.37 0.00 -1.58 0.00 -1.25 -1.28 120.51 128.63 1o5p n ALA 28 Ca 0.57 -2.07 0.00 0.00 0.00 0.00 0.00 53.44 51.94 1o5p n ALA 28 Cb 0.21 -2.86 0.00 0.00 0.00 0.00 0.00 19.45 16.80 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 5.48 0.48 2.90 0.00 0.00 0.95 -4.82 105.19 110.18 1o5p n GLY 29 Ca 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.45 -0.09 2.61 -4.23 -0.40 -4.89 115.64 107.58 1o5p s THR 30 Ca 0.00 0.02 -0.40 0.00 -1.18 0.00 0.00 61.69 60.13 1o5p s THR 30 Cb 0.00 -0.66 -0.18 0.00 1.34 0.00 0.00 72.50 73.01 1o5p s THR 30 CO 0.00 -0.08 1.38 0.00 -0.54 0.00 0.00 174.62 175.39 1o5p n ALA 31 N 5.35 -1.59 -2.45 3.99 0.00 -1.26 -2.75 120.51 121.79 1o5p n ALA 31 Ca -0.05 0.51 -0.29 0.00 0.00 0.00 0.00 53.44 53.60 1o5p n ALA 31 Cb 0.50 -2.00 -0.12 0.00 0.00 0.00 0.00 19.45 17.83 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 1.31 2.46 0.32 0.00 2.02 0.17 -4.55 117.35 119.09 1o5p s TYR 32 Ca 0.92 -0.30 0.06 0.00 -0.37 0.00 0.00 57.07 57.37 1o5p s TYR 32 Cb -1.14 -1.33 -0.01 0.00 -0.40 0.00 0.00 41.96 39.08 1o5p s TYR 32 CO 0.58 0.35 0.46 0.34 -1.57 0.00 0.00 175.55 175.72 1o5p s ASP 33 N -2.03 6.05 -0.20 2.29 2.15 0.60 -1.59 116.67 123.94 1o5p s ASP 33 Ca 0.16 -0.07 -0.04 0.00 0.43 0.00 0.00 52.55 53.03 1o5p s ASP 33 Cb -0.10 -1.42 0.10 0.00 -0.30 0.00 0.00 42.92 41.20 1o5p s ASP 33 CO 0.08 -0.37 0.33 0.54 -0.17 0.00 0.00 175.17 175.58 1o5p s VAL 34 N -2.17 -0.52 0.15 1.11 0.11 -0.49 -1.13 120.40 117.47 1o5p s VAL 34 Ca 0.43 0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 59.40 1o5p s VAL 34 Cb -0.09 -0.68 0.04 0.00 -1.53 0.00 0.00 36.38 34.12 1o5p s VAL 34 CO 0.31 -0.05 0.57 0.61 -3.33 0.00 0.00 175.10 173.22 1o5p n GLY 35 N 5.36 1.03 3.42 6.54 0.00 -0.90 -0.34 105.19 120.30 1o5p n GLY 35 Ca -0.05 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.04 2.91 0.05 1.61 -2.07 -1.26 -2.54 119.66 116.32 1o5p s GLN 36 Ca 0.12 -1.12 0.05 0.00 -1.82 0.00 0.00 55.36 52.59 1o5p s GLN 36 Cb -0.02 -3.94 -0.02 0.00 -1.09 0.00 0.00 33.01 27.94 1o5p s GLN 36 CO 0.04 -0.80 -0.14 0.00 -1.32 0.00 0.00 175.29 173.07 1o5p s ALA 38 N -0.96 2.12 -0.36 0.00 0.00 -0.72 -1.72 121.76 120.12 1o5p s ALA 38 Ca 0.01 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 50.73 1o5p s ALA 38 Cb -0.08 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 1o5p s ALA 38 CO 0.02 0.48 0.44 -1.58 0.00 0.00 0.00 175.76 175.11 1o5p s TRP 39 N -0.43 3.19 -0.83 0.00 0.51 -1.26 -1.78 118.94 118.35 1o5p s TRP 39 Ca 0.05 0.01 0.16 0.00 -2.12 0.00 0.00 56.10 54.20 1o5p s TRP 39 Cb -0.11 -2.81 0.57 0.00 -0.81 0.00 0.00 33.47 30.30 1o5p s TRP 39 CO 0.01 -0.52 1.48 1.33 -0.51 0.00 0.00 176.95 178.74 1o5p n VAL 40 N 5.35 1.74 -1.77 4.03 0.24 -0.90 -4.77 118.33 122.25 1o5p n VAL 40 Ca -0.07 -1.32 0.00 0.00 -2.04 0.00 0.00 64.34 60.91 1o5p n VAL 40 Cb 0.49 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 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 0.55 0.00 -4.55 -1.34 9.92 -1.26 -4.95 116.55 114.91 1o5p n ASP 41 Ca 0.21 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.10 1o5p n ASP 41 Cb 0.77 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.22 1o5p n ASP 41 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1o5p s THR 42 N -2.54 3.45 0.00 -3.53 -4.23 -1.26 -2.88 115.64 104.65 1o5p s THR 42 Ca 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1o5p s THR 42 Cb 0.00 -4.14 0.00 0.00 1.34 0.00 0.00 72.50 69.70 1o5p s THR 42 CO 0.00 -1.10 0.00 0.61 -0.54 0.00 0.00 174.62 173.59 1o5p n GLY 43 N 5.94 0.69 3.14 3.99 0.00 -1.26 -5.04 105.19 112.65 1o5p n GLY 43 Ca 0.22 -0.72 -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 3.01 -0.32 1.61 1.01 -1.14 -4.97 120.40 117.60 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 -2.87 0.08 0.00 0.00 0.00 0.00 36.38 33.59 1o5p s VAL 44 CO 0.00 -0.32 0.01 -0.22 0.00 0.00 0.00 175.10 174.57 1o5p s LEU 45 N 1.19 4.28 -0.42 3.92 2.96 -1.26 -2.12 118.68 127.23 1o5p s LEU 45 Ca 0.00 -1.76 -0.16 0.00 -0.22 0.00 0.00 54.13 51.99 1o5p s LEU 45 Cb -0.21 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 44.86 1o5p s LEU 45 CO -0.03 -0.32 0.39 0.00 -1.32 0.00 0.00 176.35 175.07 1o5p s ALA 46 N 1.05 3.45 0.33 5.97 0.00 -0.73 -3.51 121.76 128.32 1o5p s ALA 46 Ca 0.02 -1.62 0.07 0.00 0.00 0.00 0.00 51.96 50.44 1o5p s ALA 46 Cb -0.20 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1o5p s ALA 46 CO -0.05 -1.56 0.28 0.00 0.00 0.00 0.00 175.76 174.43 1o5p s ASN 48 N -3.98 4.89 0.00 0.00 3.84 -0.84 -0.82 114.94 118.03 1o5p s ASN 48 Ca 0.40 0.04 0.00 0.00 0.21 0.00 0.00 52.86 53.51 1o5p s ASN 48 Cb -0.06 -1.32 0.00 0.00 -0.55 0.00 0.00 41.25 39.32 1o5p s ASN 48 CO 0.26 0.36 0.51 -0.81 -2.79 0.00 0.00 177.10 174.64 1o5p n PRO 49 N 2.25 0.79 0.00 0.43 -0.04 -1.26 -3.13 135.00 134.04 1o5p n PRO 49 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1o5p n PRO 49 Cb 0.53 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1o5p n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1o5p n ALA 50 N 0.26 2.33 -1.30 0.55 0.00 -1.26 -4.56 120.51 116.53 1o5p n ALA 50 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 53.44 52.78 1o5p n ALA 50 Cb 0.26 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.17 0.34 -4.55 0.00 5.75 -1.18 -2.43 116.55 114.31 1o5p n ASP 51 Ca 0.00 -1.61 -0.41 0.00 -0.01 0.00 0.00 54.79 52.76 1o5p n ASP 51 Cb 0.08 -0.11 -0.03 0.00 -1.03 0.00 0.00 41.12 40.04 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 -0.29 2.53 0.18 2.11 0.08 -1.25 -3.09 117.98 118.25 1o5p s PHE 52 Ca 0.02 -0.77 0.01 0.00 0.12 0.00 0.00 56.93 56.31 1o5p s PHE 52 Cb 0.02 -4.67 0.01 0.00 -0.57 0.00 0.00 43.02 37.81 1o5p s PHE 52 CO 0.00 -1.93 0.09 0.43 -0.10 0.00 0.00 175.22 173.71 1o5p n SER 53 N 8.83 1.89 0.00 1.36 7.64 0.54 -4.93 113.62 128.94 1o5p n SER 53 Ca 0.29 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.48 1o5p n SER 53 Cb 0.51 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 -1.67 0.00 -3.86 6.43 2.88 -1.26 -1.39 113.62 114.75 1o5p n SER 54 Ca -0.03 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.42 1o5p n SER 54 Cb 0.22 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.60 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 -0.46 0.14 0.03 2.46 0.11 -0.62 -4.93 120.40 117.14 1o5p s VAL 55 Ca 0.00 -1.18 -0.06 0.00 -2.93 0.00 0.00 61.98 57.81 1o5p s VAL 55 Cb 0.00 -1.31 -0.05 0.00 -1.53 0.00 0.00 36.38 33.49 1o5p s VAL 55 CO 0.00 -0.65 0.28 -0.89 -3.33 0.00 0.00 175.10 170.51 1o5p s THR 56 N -3.77 5.28 -0.35 5.04 2.01 -1.26 0.44 115.64 123.03 1o5p s THR 56 Ca 0.04 0.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.87 1o5p s THR 56 Cb 0.05 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 1o5p s THR 56 CO -0.10 0.29 1.78 0.00 -0.69 0.00 0.00 174.62 175.90 1o5p s ALA 57 N -1.37 2.85 0.00 7.40 0.00 -1.11 -4.65 121.76 124.88 1o5p s ALA 57 Ca 0.30 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1o5p s ALA 57 Cb -0.13 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 18.97 1o5p s ALA 57 CO 0.18 -2.68 0.00 -0.40 0.00 0.00 0.00 175.76 172.87 1o5p n ASP 58 N 10.32 0.00 -0.08 0.00 5.75 -1.26 0.32 116.55 131.59 1o5p n ASP 58 Ca 0.22 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.94 1o5p n ASP 58 Cb 0.47 0.00 -0.00 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 -2.00 0.06 0.00 2.12 0.00 -1.93 -3.11 119.26 114.40 1o5p h ALA 59 Ca 0.00 0.11 -0.35 0.00 0.00 0.00 0.00 54.91 54.67 1o5p h ALA 59 Cb 0.00 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1o5p h ALA 59 CO 0.00 -0.56 -2.33 -1.71 0.00 0.00 0.00 179.25 174.65 1o5p n ASN 60 N -5.34 1.09 0.00 0.00 2.85 -1.26 -4.55 115.26 108.05 1o5p n ASN 60 Ca 0.00 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1o5p n ASN 60 Cb 0.25 0.40 0.00 0.00 1.24 0.00 0.00 39.78 41.67 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1o5p n GLY 61 N 2.05 0.75 3.75 8.20 0.00 -1.18 -1.67 105.19 117.10 1o5p n GLY 61 Ca -0.36 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.36 6.31 -0.21 1.61 1.04 -1.23 -2.29 113.70 117.58 1o5p s SER 62 Ca 0.00 0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.75 1o5p s SER 62 Cb 0.00 -2.11 0.07 0.00 0.10 0.00 0.00 66.02 64.07 1o5p s SER 62 CO 0.00 0.20 0.05 0.00 0.98 0.00 0.00 173.24 174.47 1o5p s ALA 63 N 0.15 0.98 -0.20 5.32 0.00 0.23 -4.63 121.76 123.62 1o5p s ALA 63 Ca 0.12 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1o5p s ALA 63 Cb -0.12 -1.22 0.04 0.00 0.00 0.00 0.00 23.12 21.81 1o5p s ALA 63 CO 0.01 -1.25 -0.14 -1.12 0.00 0.00 0.00 175.76 173.26 1o5p s SER 64 N 1.87 3.38 -0.08 0.00 0.01 -1.26 0.93 113.70 118.55 1o5p s SER 64 Ca 0.01 -0.84 -0.08 0.00 1.31 0.00 0.00 55.95 56.35 1o5p s SER 64 Cb -0.17 -1.36 0.02 0.00 0.21 0.00 0.00 66.02 64.73 1o5p s SER 64 CO -0.11 -0.09 0.22 0.28 0.41 0.00 0.00 173.24 173.94 1o5p s THR 65 N 1.33 -0.00 -0.21 1.44 -1.32 -0.97 -5.00 115.64 110.90 1o5p s THR 65 Ca 0.00 0.01 -0.10 0.00 -1.21 0.00 0.00 61.69 60.39 1o5p s THR 65 Cb -0.15 -0.32 -0.05 0.00 -1.51 0.00 0.00 72.50 70.47 1o5p s THR 65 CO -0.10 0.00 0.14 -0.94 -2.21 0.00 0.00 174.62 171.52 1o5p s SER 66 N 0.18 6.19 0.27 8.08 1.04 -1.26 -2.08 113.70 126.11 1o5p s SER 66 Ca -0.00 0.20 0.06 0.00 0.48 0.00 0.00 55.95 56.69 1o5p s SER 66 Cb -0.02 -2.09 -0.06 0.00 0.10 0.00 0.00 66.02 63.95 1o5p s SER 66 CO -0.00 0.15 -0.06 -1.48 0.98 0.00 0.00 173.24 172.83 1o5p s LEU 67 N 0.52 2.45 -0.22 2.42 0.05 -0.10 -4.89 118.68 118.92 1o5p s LEU 67 Ca 0.08 -1.18 -0.14 0.00 0.05 0.00 0.00 54.13 52.95 1o5p s LEU 67 Cb -0.12 -0.59 -0.04 0.00 -2.05 0.00 0.00 46.19 43.39 1o5p s LEU 67 CO -0.00 -0.35 0.30 0.42 -0.55 0.00 0.00 176.35 176.16 1o5p s THR 68 N -3.07 5.27 0.01 5.48 -4.23 -1.02 0.46 115.64 118.54 1o5p s THR 68 Ca 0.29 0.48 0.02 0.00 -1.18 0.00 0.00 61.69 61.29 1o5p s THR 68 Cb 0.04 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.24 1o5p s THR 68 CO 0.11 0.29 -0.05 0.68 -0.54 0.00 0.00 174.62 175.11 1o5p s VAL 69 N 1.21 0.39 0.13 2.29 -7.23 -0.82 -4.07 120.40 112.30 1o5p s VAL 69 Ca 0.14 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 1o5p s VAL 69 Cb -0.14 -0.37 -0.00 0.00 0.56 0.00 0.00 36.38 36.42 1o5p s VAL 69 CO 0.06 -0.03 0.16 -2.11 -0.31 0.00 0.00 175.10 172.87 1o5p n ARG 70 N 2.57 0.24 0.00 4.82 1.85 -1.26 -4.28 116.66 120.59 1o5p n ARG 70 Ca -0.15 -1.10 0.00 0.00 -1.00 0.00 0.00 57.85 55.59 1o5p n ARG 70 Cb 0.57 1.02 0.00 0.00 -1.05 0.00 0.00 32.46 33.00 1o5p n ARG 70 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1o5p n ARG 71 N -0.22 0.00 -1.69 2.89 1.85 -1.26 -4.55 116.66 113.67 1o5p n ARG 71 Ca 0.01 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.44 1o5p n ARG 71 Cb 0.22 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.63 1o5p n ARG 71 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1o5p n SER 72 N 0.00 2.58 -3.64 2.89 7.64 -1.26 -1.96 113.62 119.88 1o5p n SER 72 Ca 0.00 1.17 -0.09 0.00 1.01 0.00 0.00 58.87 60.96 1o5p n SER 72 Cb 0.00 -1.48 -0.07 0.00 -1.01 0.00 0.00 64.21 61.65 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 -1.13 -0.79 -0.25 1.43 -0.71 -0.63 -4.81 117.98 111.08 1o5p s PHE 73 Ca 0.57 1.75 -0.27 0.00 -1.04 0.00 0.00 56.93 57.94 1o5p s PHE 73 Cb -0.55 0.42 -0.12 0.00 -1.21 0.00 0.00 43.02 41.56 1o5p s PHE 73 CO 0.61 -0.39 0.89 0.39 -1.34 0.00 0.00 175.22 175.38 1o5p n GLU 74 N 3.29 0.00 -1.35 1.99 4.71 -1.26 -1.72 120.64 126.30 1o5p n GLU 74 Ca -0.16 0.00 -0.26 0.00 -0.01 0.00 0.00 57.16 56.73 1o5p n GLU 74 Cb 0.57 -0.86 -0.01 0.00 -1.01 0.00 0.00 31.44 30.12 1o5p n GLU 74 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1o5p n GLY 75 N 2.14 4.48 3.15 0.62 0.00 -0.36 -2.73 105.19 112.49 1o5p n GLY 75 Ca 0.17 -1.75 -0.58 0.00 0.00 0.00 0.00 46.02 43.86 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 0.50 1.25 -2.99 1.61 3.01 0.00 -2.21 117.46 118.63 1o5p n PHE 76 Ca 0.45 0.82 -0.40 0.00 1.01 0.00 0.00 57.45 59.33 1o5p n PHE 76 Cb 0.54 -2.10 -0.05 0.00 -0.01 0.00 0.00 39.48 37.87 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 4.66 4.26 -0.27 4.37 2.96 -0.66 -1.93 118.68 132.07 1o5p s LEU 77 Ca 1.06 1.16 -0.02 0.00 -0.22 0.00 0.00 54.13 56.12 1o5p s LEU 77 Cb -1.39 -3.13 -0.03 0.00 0.50 0.00 0.00 46.19 42.15 1o5p s LEU 77 CO 0.66 -0.23 1.35 0.33 -1.32 0.00 0.00 176.35 177.15 1o5p n PHE 78 N 4.37 0.40 -1.95 5.38 7.35 -1.23 -2.88 117.46 128.90 1o5p n PHE 78 Ca 0.01 -0.90 0.00 0.00 -0.76 0.00 0.00 57.45 55.80 1o5p n PHE 78 Cb 0.50 -0.93 0.00 0.00 0.35 0.00 0.00 39.48 39.41 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 4.38 0.00 0.00 -2.13 2.03 -1.26 -4.98 116.55 114.59 1o5p n ASP 79 Ca 0.15 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.50 1o5p n ASP 79 Cb 0.07 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1o5p n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1o5p n GLY 80 N 0.00 2.78 3.92 0.27 0.00 -1.14 -4.99 105.19 106.04 1o5p n GLY 80 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.06 5.07 -0.14 2.61 -4.23 -1.26 -4.96 115.64 111.67 1o5p s THR 81 Ca 0.00 -0.20 -0.05 0.00 -1.18 0.00 0.00 61.69 60.26 1o5p s THR 81 Cb 0.00 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 1o5p s THR 81 CO 0.00 -0.43 0.04 0.00 -0.54 0.00 0.00 174.62 173.69 1o5p s ARG 82 N -3.91 3.57 0.33 3.99 1.70 -1.26 -1.65 118.95 121.72 1o5p s ARG 82 Ca 0.42 -0.35 0.24 0.00 -0.47 0.00 0.00 55.73 55.57 1o5p s ARG 82 Cb -0.10 -3.05 0.48 0.00 -0.57 0.00 0.00 34.95 31.71 1o5p s ARG 82 CO 0.33 0.47 1.62 2.35 -1.08 0.00 0.00 175.30 179.00 1o5p h TRP 83 N 5.98 0.00 0.00 5.89 7.01 -1.77 -3.46 115.95 129.60 1o5p h TRP 83 Ca -0.43 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.57 1o5p h TRP 83 Cb 1.19 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.25 1o5p h TRP 83 CO 0.61 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.67 1o5p n GLY 84 N 1.19 1.43 3.58 2.65 0.00 -1.26 -4.89 105.19 107.88 1o5p n GLY 84 Ca 0.04 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 1o5p n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o5p s THR 85 N -1.54 3.22 -0.53 2.61 -4.23 -1.26 -1.22 115.64 112.68 1o5p s THR 85 Ca 0.00 0.20 -0.28 0.00 -1.18 0.00 0.00 61.69 60.42 1o5p s THR 85 Cb 0.00 -3.37 0.02 0.00 1.34 0.00 0.00 72.50 70.49 1o5p s THR 85 CO 0.00 -0.29 1.32 -0.69 -0.54 0.00 0.00 174.62 174.42 1o5p s VAL 86 N 8.82 3.92 -0.26 2.29 1.01 -0.70 -4.68 120.40 130.81 1o5p s VAL 86 Ca 0.88 0.84 -0.29 0.00 0.00 0.00 0.00 61.98 63.41 1o5p s VAL 86 Cb -0.23 -4.50 -0.03 0.00 0.00 0.00 0.00 36.38 31.62 1o5p s VAL 86 CO 0.30 -1.13 1.88 -1.81 0.00 0.00 0.00 175.10 174.34 1o5p s ASP 87 N 3.71 5.92 0.00 3.32 1.11 -1.26 -1.60 116.67 127.86 1o5p s ASP 87 Ca 0.51 1.60 0.06 0.00 0.18 0.00 0.00 52.55 54.89 1o5p s ASP 87 Cb -0.10 -2.52 0.29 0.00 1.07 0.00 0.00 42.92 41.66 1o5p s ASP 87 CO 0.27 -1.64 1.01 0.00 1.18 0.00 0.00 175.17 175.99 1o5p n THR 89 N -1.27 0.00 -0.06 0.00 -2.24 -1.26 -4.13 114.28 105.32 1o5p n THR 89 Ca 0.03 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 1o5p n THR 89 Cb 0.04 0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.46 0.68 -3.66 4.28 -2.24 -0.13 -5.06 114.28 107.69 1o5p n THR 90 Ca 0.18 -0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.54 1o5p n THR 90 Cb 0.28 -1.65 0.01 0.00 -2.10 0.00 0.00 70.33 66.88 1o5p n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o5p s ALA 91 N -2.23 4.54 -0.32 6.98 0.00 -1.19 -5.09 121.76 124.45 1o5p s ALA 91 Ca -0.17 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.20 1o5p s ALA 91 Cb 0.07 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1o5p s ALA 91 CO 0.22 -0.58 0.19 0.00 0.00 0.00 0.00 175.76 175.59 1o5p s ALA 92 N -2.76 3.39 -0.25 0.00 0.00 -1.26 -4.70 121.76 116.18 1o5p s ALA 92 Ca 0.41 -1.36 -0.14 0.00 0.00 0.00 0.00 51.96 50.88 1o5p s ALA 92 Cb -0.03 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 1o5p s ALA 92 CO 0.26 -0.90 0.31 0.00 0.00 0.00 0.00 175.76 175.43 1o5p s GLN 94 N 1.59 3.26 -0.38 0.00 -0.21 -0.70 -2.53 119.66 120.69 1o5p s GLN 94 Ca 0.13 -0.46 -0.11 0.00 0.02 0.00 0.00 55.36 54.94 1o5p s GLN 94 Cb -0.15 -2.96 0.03 0.00 1.00 0.00 0.00 33.01 30.93 1o5p s GLN 94 CO 0.08 0.63 0.20 0.08 -2.12 0.00 0.00 175.29 174.16 1o5p s VAL 95 N -1.37 4.51 0.13 1.09 1.01 0.12 -2.15 120.40 123.74 1o5p s VAL 95 Ca 0.29 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 1o5p s VAL 95 Cb -0.13 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1o5p s VAL 95 CO 0.21 -0.25 0.17 0.61 0.00 0.00 0.00 175.10 175.85 1o5p n GLY 96 N 4.98 2.89 3.28 4.51 0.00 -1.05 0.29 105.19 120.10 1o5p n GLY 96 Ca -0.12 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.66 0.99 4.32 -1.25 -2.11 117.00 115.29 1o5p n LEU 97 Ca 0.01 -2.69 -0.02 0.00 -0.02 0.00 0.00 56.01 53.29 1o5p n LEU 97 Cb 0.22 0.16 -0.01 0.00 -1.62 0.00 0.00 43.42 42.17 1o5p n LEU 97 CO 0.11 -0.47 0.90 -0.94 -1.22 0.00 0.00 177.39 175.77 1o5p s SER 98 N -3.64 -0.13 0.00 -1.43 1.04 -0.28 -4.37 113.70 104.88 1o5p s SER 98 Ca 0.12 -0.22 0.17 0.00 0.48 0.00 0.00 55.95 56.50 1o5p s SER 98 Cb -0.01 0.30 -0.18 0.00 0.10 0.00 0.00 66.02 66.23 1o5p s SER 98 CO 0.08 -0.55 0.72 0.47 0.98 0.00 0.00 173.24 174.93 1o5p n ASP 99 N -0.43 0.80 -1.35 7.02 8.00 -1.23 0.22 116.55 129.59 1o5p n ASP 99 Ca -0.07 -0.90 -0.07 0.00 0.71 0.00 0.00 54.79 54.46 1o5p n ASP 99 Cb 0.62 1.00 0.02 0.00 -0.02 0.00 0.00 41.12 42.73 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 -1.39 -0.37 0.00 2.24 0.00 -1.26 -4.78 120.51 114.96 1o5p n ALA 100 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1o5p n ALA 100 Cb 0.26 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 -3.02 1.51 0.00 0.00 0.00 -1.26 -5.04 120.51 112.70 1o5p n ALA 101 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1o5p n ALA 101 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 1.20 0.00 3.29 0.00 0.00 -1.26 -5.15 105.19 103.27 1o5p n GLY 102 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.03 -1.99 -0.65 1.61 5.03 -1.26 -5.06 115.26 111.92 1o5p n ASN 103 Ca 0.00 -2.41 0.00 0.00 0.87 0.00 0.00 54.58 53.04 1o5p n ASN 103 Cb 0.00 3.32 0.00 0.00 -1.02 0.00 0.00 39.78 42.08 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 0.88 2.90 7.41 0.00 -1.26 -3.51 105.19 111.13 1o5p n GLY 104 Ca -0.07 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.19 -2.62 1.61 -0.01 -1.26 -4.93 135.00 126.60 1o5p n PRO 105 Ca 0.00 -0.35 -0.23 0.00 -0.01 0.00 0.00 63.50 62.91 1o5p n PRO 105 Cb 0.00 -1.24 0.08 0.00 -0.01 0.00 0.00 33.50 32.33 1o5p n PRO 105 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 175.50 173.66 1o5p s GLU 106 N -2.76 1.99 0.32 -0.52 -1.05 -1.26 -4.66 118.70 110.76 1o5p s GLU 106 Ca 0.20 -1.02 0.09 0.00 -0.15 0.00 0.00 54.97 54.10 1o5p s GLU 106 Cb -0.02 -2.39 -0.05 0.00 -0.44 0.00 0.00 34.13 31.22 1o5p s GLU 106 CO 0.20 -1.18 0.02 0.20 0.95 0.00 0.00 175.26 175.45 1o5p s GLY 107 N -4.63 1.95 -0.18 -3.83 0.00 -1.26 -3.86 107.32 95.50 1o5p s GLY 107 Ca 0.63 -1.87 -0.05 0.00 0.00 0.00 0.00 44.72 43.43 1o5p s GLY 107 CO 0.42 -1.84 0.01 0.14 0.00 0.00 0.00 173.10 171.83 1o5p s VAL 108 N -2.46 4.16 -0.08 1.40 1.01 0.15 -4.78 120.40 119.80 1o5p s VAL 108 Ca 0.34 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1o5p s VAL 108 Cb -0.02 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1o5p s VAL 108 CO 0.20 0.45 1.41 0.00 0.00 0.00 0.00 175.10 177.16 1o5p s ALA 109 N 0.68 3.61 0.47 5.51 0.00 -1.26 0.15 121.76 130.92 1o5p s ALA 109 Ca 0.00 0.73 0.06 0.00 0.00 0.00 0.00 51.96 52.75 1o5p s ALA 109 Cb -0.14 -3.64 0.02 0.00 0.00 0.00 0.00 23.12 19.36 1o5p s ALA 109 CO 0.02 -1.12 0.65 0.96 0.00 0.00 0.00 175.76 176.27 1o5p s ILE 110 N 3.20 2.85 0.04 0.00 -4.36 -1.05 -4.81 121.20 117.07 1o5p s ILE 110 Ca 0.63 -0.89 -0.01 0.00 -0.26 0.00 0.00 60.65 60.11 1o5p s ILE 110 Cb -0.28 -2.96 -0.03 0.00 1.25 0.00 0.00 42.46 40.44 1o5p s ILE 110 CO 0.23 0.00 -0.01 -0.55 0.24 0.00 0.00 174.94 174.85 1o5p s SER 111 N -4.39 0.37 -0.15 4.36 0.15 0.18 -4.72 113.70 109.50 1o5p s SER 111 Ca 0.56 -0.79 -0.02 0.00 0.70 0.00 0.00 55.95 56.40 1o5p s SER 111 Cb -0.10 0.17 0.05 0.00 -1.71 0.00 0.00 66.02 64.43 1o5p s SER 111 CO 0.35 -0.50 0.01 -0.36 1.20 0.00 0.00 173.24 173.94 1o5p s PHE 112 N -3.02 0.98 -0.40 3.44 0.08 -1.26 -2.91 117.98 114.88 1o5p s PHE 112 Ca -0.01 -0.64 0.00 0.00 0.12 0.00 0.00 56.93 56.40 1o5p s PHE 112 Cb 0.01 -0.98 0.00 0.00 -0.57 0.00 0.00 43.02 41.48 1o5p s PHE 112 CO -0.07 -0.51 0.10 0.27 -0.10 0.00 0.00 175.22 174.91