#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 2.49 0.85 0.00 0.00 -1.26 -5.08 121.76 118.76 1o5p s ALA 2 Ca 0.00 -1.78 -0.12 0.00 0.00 0.00 0.00 51.96 50.06 1o5p s ALA 2 Cb 0.00 -0.21 0.11 0.00 0.00 0.00 0.00 23.12 23.01 1o5p s ALA 2 CO 0.00 0.23 1.18 -2.30 0.00 0.00 0.00 175.76 174.87 1o5p n PRO 3 N -0.44 -0.06 -3.85 0.00 -0.02 -0.03 -4.57 135.00 126.03 1o5p n PRO 3 Ca -0.07 0.06 -0.09 0.00 -2.02 0.00 0.00 63.50 61.38 1o5p n PRO 3 Cb 0.60 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.59 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 -2.31 0.13 -0.15 3.45 -4.23 1.12 -4.88 115.64 108.78 1o5p s THR 4 Ca 0.71 -1.17 -0.06 0.00 -1.18 0.00 0.00 61.69 59.99 1o5p s THR 4 Cb -0.27 -1.37 0.07 0.00 1.34 0.00 0.00 72.50 72.27 1o5p s THR 4 CO 0.54 -0.61 0.31 0.00 -0.54 0.00 0.00 174.62 174.32 1o5p s ALA 5 N -3.87 -0.75 -0.30 3.99 0.00 -1.26 0.27 121.76 119.84 1o5p s ALA 5 Ca 0.06 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 1o5p s ALA 5 Cb 0.05 -1.03 0.06 0.00 0.00 0.00 0.00 23.12 22.19 1o5p s ALA 5 CO -0.10 -0.57 -0.01 -0.08 0.00 0.00 0.00 175.76 175.00 1o5p s THR 6 N 2.20 2.85 -0.07 0.00 -1.32 -0.32 -4.86 115.64 114.11 1o5p s THR 6 Ca -0.02 -1.48 0.03 0.00 -1.21 0.00 0.00 61.69 59.01 1o5p s THR 6 Cb -0.11 -2.67 -0.02 0.00 -1.51 0.00 0.00 72.50 68.19 1o5p s THR 6 CO -0.10 -0.13 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.32 1o5p s VAL 7 N 1.21 2.82 -0.22 5.08 1.01 -1.25 -0.31 120.40 128.75 1o5p s VAL 7 Ca -0.05 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 1o5p s VAL 7 Cb -0.20 -2.11 0.16 0.00 0.00 0.00 0.00 36.38 34.23 1o5p s VAL 7 CO -0.02 0.57 1.17 -0.89 0.00 0.00 0.00 175.10 175.93 1o5p s THR 8 N -0.30 0.00 0.48 3.92 2.01 -0.17 -4.48 115.64 117.10 1o5p s THR 8 Ca 0.02 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.82 1o5p s THR 8 Cb -0.13 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.30 1o5p s THR 8 CO 0.03 0.00 1.00 -2.16 -0.69 0.00 0.00 174.62 172.80 1o5p s PRO 9 N -1.16 3.90 0.05 4.92 0.05 -1.26 -0.15 135.00 141.35 1o5p s PRO 9 Ca 0.04 1.21 0.20 0.00 0.05 0.00 0.00 61.00 62.50 1o5p s PRO 9 Cb -0.01 -2.12 -0.17 0.00 0.05 0.00 0.00 34.50 32.25 1o5p s PRO 9 CO -0.03 -0.32 0.70 -1.13 0.05 0.00 0.00 177.00 176.26 1o5p n SER 10 N -1.07 0.48 -4.22 6.66 3.41 -1.26 -4.76 113.62 112.86 1o5p n SER 10 Ca 0.08 0.20 -0.16 0.00 -0.26 0.00 0.00 58.87 58.72 1o5p n SER 10 Cb 0.53 0.94 -0.11 0.00 -0.26 0.00 0.00 64.21 65.32 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 -5.20 1.78 0.00 4.04 0.01 -1.26 0.56 113.70 113.63 1o5p s SER 11 Ca -0.05 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1o5p s SER 11 Cb 0.10 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1o5p s SER 11 CO 0.84 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.90 1o5p n GLY 12 N 0.50 0.75 0.13 3.44 0.00 -1.10 -4.90 105.19 104.00 1o5p n GLY 12 Ca -0.15 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.26 2.38 -1.42 0.99 4.77 -1.26 -5.05 117.00 117.14 1o5p n LEU 13 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1o5p n LEU 13 Cb 0.47 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1o5p n LEU 13 CO 0.00 0.66 -0.42 -0.24 -1.33 0.00 0.00 177.39 176.06 1o5p n SER 14 N -3.83 -7.69 -4.58 -1.43 2.88 -1.26 -3.87 113.62 93.84 1o5p n SER 14 Ca -0.37 1.40 -0.49 0.00 -1.33 0.00 0.00 58.87 58.08 1o5p n SER 14 Cb 0.91 -4.32 -0.05 0.00 -0.75 0.00 0.00 64.21 59.99 1o5p n SER 14 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1o5p n ASP 15 N -1.71 2.85 0.00 -3.46 9.92 -1.26 -2.29 116.55 120.60 1o5p n ASP 15 Ca 0.00 0.64 0.00 0.00 -0.53 0.00 0.00 54.79 54.90 1o5p n ASP 15 Cb 0.22 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.35 1o5p n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1o5p n GLY 16 N 5.41 0.87 2.90 0.44 0.00 -1.26 -5.02 105.19 108.53 1o5p n GLY 16 Ca 0.31 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.00 -4.76 2.61 5.66 -0.97 -4.98 114.28 111.84 1o5p n THR 17 Ca 0.00 -1.59 -0.24 0.00 -3.05 0.00 0.00 64.05 59.17 1o5p n THR 17 Cb 0.00 -0.30 -0.15 0.00 -1.55 0.00 0.00 70.33 68.33 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 -1.95 1.28 0.24 1.08 1.01 -1.26 -2.21 120.40 118.59 1o5p s VAL 18 Ca 0.31 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.70 1o5p s VAL 18 Cb -0.02 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1o5p s VAL 18 CO 0.20 0.36 -0.02 0.68 0.00 0.00 0.00 175.10 176.32 1o5p s VAL 19 N -0.29 3.44 -0.38 2.92 -7.23 0.20 -4.76 120.40 114.29 1o5p s VAL 19 Ca 0.04 -1.81 -0.09 0.00 -1.81 0.00 0.00 61.98 58.31 1o5p s VAL 19 Cb -0.07 -2.80 0.04 0.00 0.56 0.00 0.00 36.38 34.11 1o5p s VAL 19 CO -0.00 -0.30 0.19 -0.75 -0.31 0.00 0.00 175.10 173.93 1o5p s LYS 20 N -3.44 2.71 -0.11 4.82 2.20 0.78 -0.76 119.74 125.93 1o5p s LYS 20 Ca 0.30 -1.21 -0.06 0.00 -0.36 0.00 0.00 55.97 54.64 1o5p s LYS 20 Cb -0.07 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.54 1o5p s LYS 20 CO 0.19 -0.76 0.12 0.54 -0.36 0.00 0.00 175.35 175.08 1o5p s VAL 21 N 1.48 5.30 0.11 4.02 0.11 -0.81 -1.00 120.40 129.60 1o5p s VAL 21 Ca 0.01 0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.19 1o5p s VAL 21 Cb -0.20 -3.30 -0.04 0.00 -1.53 0.00 0.00 36.38 31.31 1o5p s VAL 21 CO 0.04 0.62 -0.02 0.00 -3.33 0.00 0.00 175.10 172.41 1o5p s ALA 22 N -1.01 0.92 -0.01 1.54 0.00 0.58 -1.81 121.76 121.98 1o5p s ALA 22 Ca 0.15 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.73 1o5p s ALA 22 Cb -0.12 0.39 -0.00 0.00 0.00 0.00 0.00 23.12 23.39 1o5p s ALA 22 CO 0.04 -0.33 -0.04 0.20 0.00 0.00 0.00 175.76 175.63 1o5p s GLY 23 N -3.04 0.22 -0.06 0.00 0.00 0.22 -1.17 107.32 103.48 1o5p s GLY 23 Ca 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 44.72 44.68 1o5p s GLY 23 CO -0.03 -0.11 0.12 0.00 0.00 0.00 0.00 173.10 173.08 1o5p s ALA 24 N -0.03 -0.10 0.00 3.20 0.00 0.75 0.18 121.76 125.75 1o5p s ALA 24 Ca 0.01 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1o5p s ALA 24 Cb -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1o5p s ALA 24 CO -0.00 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1o5p n GLY 25 N 4.73 1.05 3.95 0.00 0.00 -1.01 0.36 105.19 114.26 1o5p n GLY 25 Ca -0.16 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 3.05 -0.92 0.99 1.43 -0.70 -0.85 118.68 121.68 1o5p s LEU 26 Ca 0.00 0.26 -0.28 0.00 -1.03 0.00 0.00 54.13 53.08 1o5p s LEU 26 Cb 0.00 -3.02 -0.21 0.00 0.03 0.00 0.00 46.19 42.99 1o5p s LEU 26 CO 0.00 -1.36 2.59 0.00 0.23 0.00 0.00 176.35 177.81 1o5p n GLN 27 N -2.64 0.18 -1.28 1.70 3.00 -1.26 -3.97 117.38 113.10 1o5p n GLN 27 Ca 0.08 -0.02 -0.17 0.00 -0.01 0.00 0.00 57.00 56.88 1o5p n GLN 27 Cb 0.60 -1.80 -0.10 0.00 0.00 0.00 0.00 30.24 28.94 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 11.01 0.33 0.00 -1.58 0.00 -1.24 -1.29 120.51 127.75 1o5p n ALA 28 Ca 0.61 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.99 1o5p n ALA 28 Cb 0.13 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 16.71 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 5.59 0.39 2.65 0.00 0.00 0.95 -4.82 105.19 109.95 1o5p n GLY 29 Ca 0.34 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.48 -0.17 -0.31 2.61 -4.23 -0.41 -4.88 115.64 107.78 1o5p s THR 30 Ca 0.00 -0.22 -0.35 0.00 -1.18 0.00 0.00 61.69 59.94 1o5p s THR 30 Cb 0.00 -0.66 -0.11 0.00 1.34 0.00 0.00 72.50 73.07 1o5p s THR 30 CO 0.00 -0.31 2.14 0.00 -0.54 0.00 0.00 174.62 175.91 1o5p n ALA 31 N 5.29 1.04 -2.83 3.99 0.00 -1.26 -2.72 120.51 124.02 1o5p n ALA 31 Ca -0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1o5p n ALA 31 Cb 0.48 -2.55 -0.04 0.00 0.00 0.00 0.00 19.45 17.34 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 6.88 3.12 0.37 0.00 1.51 0.14 -4.34 117.35 125.03 1o5p s TYR 32 Ca 1.07 -0.11 0.07 0.00 -1.01 0.00 0.00 57.07 57.09 1o5p s TYR 32 Cb -0.82 -1.41 -0.00 0.00 -0.11 0.00 0.00 41.96 39.62 1o5p s TYR 32 CO 0.49 0.52 0.51 0.34 -1.11 0.00 0.00 175.55 176.30 1o5p s ASP 33 N -3.85 5.81 -0.16 2.29 2.15 0.13 -1.52 116.67 121.52 1o5p s ASP 33 Ca 0.33 -0.30 -0.06 0.00 0.43 0.00 0.00 52.55 52.95 1o5p s ASP 33 Cb -0.08 -0.97 0.08 0.00 -0.30 0.00 0.00 42.92 41.64 1o5p s ASP 33 CO 0.25 -0.57 0.34 0.54 -0.17 0.00 0.00 175.17 175.56 1o5p s VAL 34 N -2.26 -0.49 0.02 1.11 0.11 -0.68 -0.88 120.40 117.32 1o5p s VAL 34 Ca 0.49 0.22 -0.18 0.00 -2.93 0.00 0.00 61.98 59.58 1o5p s VAL 34 Cb -0.10 -0.55 0.06 0.00 -1.53 0.00 0.00 36.38 34.26 1o5p s VAL 34 CO 0.32 0.09 0.82 0.61 -3.33 0.00 0.00 175.10 173.61 1o5p n GLY 35 N 5.28 0.47 3.45 6.54 0.00 -0.92 -0.39 105.19 119.61 1o5p n GLY 35 Ca -0.09 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.02 3.01 0.06 1.61 -2.07 -1.26 -2.59 119.66 116.41 1o5p s GLN 36 Ca 0.19 -1.01 0.05 0.00 -1.82 0.00 0.00 55.36 52.77 1o5p s GLN 36 Cb -0.01 -4.01 -0.03 0.00 -1.09 0.00 0.00 33.01 27.87 1o5p s GLN 36 CO 0.01 -0.85 -0.14 0.00 -1.32 0.00 0.00 175.29 172.98 1o5p s ALA 38 N -1.16 1.69 -0.35 0.00 0.00 -0.78 -1.58 121.76 119.57 1o5p s ALA 38 Ca -0.01 -0.85 -0.17 0.00 0.00 0.00 0.00 51.96 50.93 1o5p s ALA 38 Cb -0.09 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 1o5p s ALA 38 CO 0.02 0.39 0.45 -1.58 0.00 0.00 0.00 175.76 175.04 1o5p s TRP 39 N -0.35 3.19 -0.83 0.00 0.51 -1.26 -1.86 118.94 118.34 1o5p s TRP 39 Ca 0.05 0.06 0.16 0.00 -2.12 0.00 0.00 56.10 54.25 1o5p s TRP 39 Cb -0.09 -2.84 0.59 0.00 -0.81 0.00 0.00 33.47 30.33 1o5p s TRP 39 CO 0.00 -0.52 1.51 1.33 -0.51 0.00 0.00 176.95 178.76 1o5p n VAL 40 N 5.36 1.80 -1.46 4.03 0.24 -0.90 -4.75 118.33 122.65 1o5p n VAL 40 Ca -0.06 -1.32 0.00 0.00 -2.04 0.00 0.00 64.34 60.91 1o5p n VAL 40 Cb 0.49 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 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 0.60 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 113.04 1o5p n ASP 41 Ca 0.22 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.36 1o5p n ASP 41 Cb 0.80 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.87 1o5p n ASP 41 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1o5p s THR 42 N -2.45 3.46 0.00 -3.53 -4.23 -1.26 -2.89 115.64 104.74 1o5p s THR 42 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 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 6.03 0.73 3.12 3.99 0.00 -1.26 -5.05 105.19 112.76 1o5p n GLY 43 Ca 0.24 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 2.79 -0.34 1.61 1.01 -1.14 -5.00 120.40 117.33 1o5p s VAL 44 Ca 0.00 -1.71 -0.00 0.00 0.00 0.00 0.00 61.98 60.27 1o5p s VAL 44 Cb 0.00 -2.74 0.08 0.00 0.00 0.00 0.00 36.38 33.73 1o5p s VAL 44 CO 0.00 -0.28 0.06 -0.22 0.00 0.00 0.00 175.10 174.66 1o5p s LEU 45 N 1.15 4.47 -0.42 3.92 2.96 -1.26 -2.12 118.68 127.37 1o5p s LEU 45 Ca -0.01 -1.74 -0.16 0.00 -0.22 0.00 0.00 54.13 52.00 1o5p s LEU 45 Cb -0.20 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.81 1o5p s LEU 45 CO -0.03 -0.37 0.38 0.00 -1.32 0.00 0.00 176.35 175.01 1o5p s ALA 46 N 1.11 3.46 0.34 5.97 0.00 -0.78 -3.53 121.76 128.33 1o5p s ALA 46 Ca 0.02 -1.66 0.08 0.00 0.00 0.00 0.00 51.96 50.41 1o5p s ALA 46 Cb -0.21 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1o5p s ALA 46 CO -0.04 -1.56 0.24 0.00 0.00 0.00 0.00 175.76 174.39 1o5p s ASN 48 N -3.94 3.74 0.00 0.00 2.47 -0.89 -1.09 114.94 115.22 1o5p s ASN 48 Ca 0.40 -0.34 0.00 0.00 0.42 0.00 0.00 52.86 53.34 1o5p s ASN 48 Cb -0.04 -1.17 0.00 0.00 -1.45 0.00 0.00 41.25 38.59 1o5p s ASN 48 CO 0.25 0.24 0.39 -0.81 -3.72 0.00 0.00 177.10 173.45 1o5p n PRO 49 N 3.00 0.60 0.00 0.43 -0.04 -1.26 -3.28 135.00 134.45 1o5p n PRO 49 Ca -0.18 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.39 1o5p n PRO 49 Cb 0.52 -1.27 0.06 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.35 4.15 -0.70 0.55 0.00 -1.26 -4.16 120.51 119.43 1o5p n ALA 50 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1o5p n ALA 50 Cb 0.20 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1o5p n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1o5p n ASP 51 N -1.44 0.50 -4.57 0.00 9.92 -1.20 -3.13 116.55 116.62 1o5p n ASP 51 Ca 0.05 -1.20 -0.14 0.00 -0.53 0.00 0.00 54.79 52.97 1o5p n ASP 51 Cb 0.34 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.72 1o5p n ASP 51 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1o5p n PHE 52 N -0.10 0.99 -3.46 1.24 3.01 -1.25 -3.74 117.46 114.16 1o5p n PHE 52 Ca 0.00 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1o5p n PHE 52 Cb 0.34 -2.59 0.00 0.00 -0.01 0.00 0.00 39.48 37.22 1o5p n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1o5p n SER 53 N 19.40 1.15 0.00 4.37 7.64 0.47 -4.93 113.62 141.72 1o5p n SER 53 Ca 0.43 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 59.42 1o5p n SER 53 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 -1.65 0.00 -3.84 6.43 2.88 -1.26 -1.69 113.62 114.49 1o5p n SER 54 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1o5p n SER 54 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 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 -0.52 0.12 -0.06 2.46 0.11 -0.58 -4.94 120.40 117.00 1o5p s VAL 55 Ca 0.00 -1.00 -0.07 0.00 -2.93 0.00 0.00 61.98 57.98 1o5p s VAL 55 Cb 0.00 -1.12 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 1o5p s VAL 55 CO 0.00 -0.55 0.21 -0.89 -3.33 0.00 0.00 175.10 170.54 1o5p s THR 56 N -3.21 5.39 -0.34 5.04 2.01 -1.26 0.23 115.64 123.50 1o5p s THR 56 Ca -0.00 0.23 -0.28 0.00 0.31 0.00 0.00 61.69 61.95 1o5p s THR 56 Cb 0.02 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1o5p s THR 56 CO -0.07 0.51 2.05 0.00 -0.69 0.00 0.00 174.62 176.41 1o5p s ALA 57 N -1.15 2.57 0.00 7.40 0.00 -1.10 -4.70 121.76 124.78 1o5p s ALA 57 Ca 0.21 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1o5p s ALA 57 Cb -0.13 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 18.88 1o5p s ALA 57 CO 0.10 -3.08 0.00 -0.40 0.00 0.00 0.00 175.76 172.38 1o5p n ASP 58 N 11.87 0.00 -0.12 0.00 5.75 -1.26 0.32 116.55 133.10 1o5p n ASP 58 Ca 0.27 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 55.00 1o5p n ASP 58 Cb 0.48 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.20 0.00 2.12 0.00 -1.92 -3.10 119.26 114.55 1o5p h ALA 59 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 54.91 54.77 1o5p h ALA 59 Cb 0.00 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1o5p h ALA 59 CO 0.00 -0.50 -2.11 -1.71 0.00 0.00 0.00 179.25 174.93 1o5p n ASN 60 N -5.35 1.52 0.00 0.00 4.05 -1.26 -4.55 115.26 109.67 1o5p n ASN 60 Ca 0.03 -0.04 0.00 0.00 0.45 0.00 0.00 54.58 55.02 1o5p n ASN 60 Cb 0.26 0.49 0.00 0.00 1.23 0.00 0.00 39.78 41.77 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1o5p n GLY 61 N 2.19 0.73 3.71 8.20 0.00 -1.17 -1.72 105.19 117.13 1o5p n GLY 61 Ca -0.29 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 1o5p n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1o5p s SER 62 N -1.25 6.11 -0.20 1.61 0.01 -1.25 -2.41 113.70 116.31 1o5p s SER 62 Ca 0.00 0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.44 1o5p s SER 62 Cb 0.00 -2.07 0.06 0.00 0.21 0.00 0.00 66.02 64.23 1o5p s SER 62 CO 0.00 0.18 0.04 0.00 0.41 0.00 0.00 173.24 173.87 1o5p s ALA 63 N 0.35 1.02 -0.16 1.44 0.00 0.13 -4.62 121.76 119.91 1o5p s ALA 63 Ca 0.07 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1o5p s ALA 63 Cb -0.11 -1.20 0.03 0.00 0.00 0.00 0.00 23.12 21.83 1o5p s ALA 63 CO -0.02 -1.20 -0.13 -1.12 0.00 0.00 0.00 175.76 173.29 1o5p s SER 64 N 1.85 2.92 -0.03 0.00 0.01 -1.26 0.69 113.70 117.87 1o5p s SER 64 Ca -0.01 -0.62 -0.13 0.00 1.31 0.00 0.00 55.95 56.51 1o5p s SER 64 Cb -0.17 -1.20 0.02 0.00 0.21 0.00 0.00 66.02 64.88 1o5p s SER 64 CO -0.09 -0.08 0.27 0.28 0.41 0.00 0.00 173.24 174.03 1o5p s THR 65 N 1.45 0.05 -0.13 1.44 -1.32 -0.75 -5.01 115.64 111.38 1o5p s THR 65 Ca 0.03 -0.44 -0.10 0.00 -1.21 0.00 0.00 61.69 59.97 1o5p s THR 65 Cb -0.14 -0.54 -0.05 0.00 -1.51 0.00 0.00 72.50 70.26 1o5p s THR 65 CO -0.10 -0.24 0.20 -0.94 -2.21 0.00 0.00 174.62 171.33 1o5p s SER 66 N -1.08 6.42 0.24 8.08 1.04 -1.26 -1.93 113.70 125.20 1o5p s SER 66 Ca -0.11 0.50 0.04 0.00 0.48 0.00 0.00 55.95 56.86 1o5p s SER 66 Cb -0.05 -2.12 -0.05 0.00 0.10 0.00 0.00 66.02 63.90 1o5p s SER 66 CO 0.03 0.30 -0.03 -0.76 0.98 0.00 0.00 173.24 173.76 1o5p s LEU 67 N -0.49 2.30 -0.20 2.42 1.02 0.06 -4.92 118.68 118.86 1o5p s LEU 67 Ca 0.15 -1.19 -0.07 0.00 0.02 0.00 0.00 54.13 53.03 1o5p s LEU 67 Cb -0.13 -0.38 -0.04 0.00 0.02 0.00 0.00 46.19 45.67 1o5p s LEU 67 CO 0.04 -0.45 0.07 0.42 0.02 0.00 0.00 176.35 176.45 1o5p s THR 68 N -3.30 4.67 -0.00 5.49 -4.23 -1.18 0.58 115.64 117.66 1o5p s THR 68 Ca 0.28 -0.07 0.02 0.00 -1.18 0.00 0.00 61.69 60.74 1o5p s THR 68 Cb 0.05 -3.13 -0.01 0.00 1.34 0.00 0.00 72.50 70.76 1o5p s THR 68 CO 0.09 0.42 -0.07 0.68 -0.54 0.00 0.00 174.62 175.20 1o5p s VAL 69 N 0.73 0.56 0.00 2.29 -7.23 -0.94 -4.15 120.40 111.66 1o5p s VAL 69 Ca 0.03 -0.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 1o5p s VAL 69 Cb -0.13 -0.48 0.00 0.00 0.56 0.00 0.00 36.38 36.33 1o5p s VAL 69 CO 0.02 0.15 0.00 0.54 -0.31 0.00 0.00 175.10 175.50 1o5p n ARG 70 N 2.87 1.60 0.00 4.82 1.74 -1.26 -4.33 116.66 122.09 1o5p n ARG 70 Ca -0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1o5p n ARG 70 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 1o5p n ARG 70 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1o5p n ARG 71 N 0.00 0.00 -2.43 5.56 1.74 -1.26 -4.72 116.66 115.54 1o5p n ARG 71 Ca 0.00 0.22 -0.41 0.00 -0.77 0.00 0.00 57.85 56.90 1o5p n ARG 71 Cb 0.00 -0.78 -0.04 0.00 -1.02 0.00 0.00 32.46 30.62 1o5p n ARG 71 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1o5p s SER 72 N -1.91 7.17 -0.22 0.55 1.04 -1.26 0.49 113.70 119.56 1o5p s SER 72 Ca 0.00 2.21 -0.18 0.00 0.48 0.00 0.00 55.95 58.46 1o5p s SER 72 Cb 0.00 -2.61 0.06 0.00 0.10 0.00 0.00 66.02 63.57 1o5p s SER 72 CO 0.00 -0.28 0.58 0.72 0.98 0.00 0.00 173.24 175.23 1o5p s PHE 73 N -0.36 -0.71 -0.41 5.02 -0.71 -0.78 -4.86 117.98 115.17 1o5p s PHE 73 Ca 0.50 1.62 -0.41 0.00 -1.04 0.00 0.00 56.93 57.60 1o5p s PHE 73 Cb -0.32 0.30 -0.17 0.00 -1.21 0.00 0.00 43.02 41.62 1o5p s PHE 73 CO 0.37 -0.35 1.37 0.39 -1.34 0.00 0.00 175.22 175.66 1o5p n GLU 74 N 3.24 0.00 -1.35 1.99 -0.58 -1.26 -1.53 120.64 121.15 1o5p n GLU 74 Ca -0.16 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.34 1o5p n GLU 74 Cb 0.56 -1.30 -0.06 0.00 -0.57 0.00 0.00 31.44 30.07 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 3.38 4.11 3.12 0.62 0.00 -0.48 -2.99 105.19 112.95 1o5p n GLY 75 Ca 0.26 -1.69 -0.57 0.00 0.00 0.00 0.00 46.02 44.02 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 1.07 1.24 -3.00 1.61 3.01 -0.25 -2.23 117.46 118.91 1o5p n PHE 76 Ca 0.46 0.82 -0.40 0.00 1.01 0.00 0.00 57.45 59.33 1o5p n PHE 76 Cb 0.61 -2.07 -0.05 0.00 -0.01 0.00 0.00 39.48 37.97 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 4.52 4.25 -0.25 4.37 2.96 -0.64 -1.99 118.68 131.90 1o5p s LEU 77 Ca 1.05 1.14 -0.02 0.00 -0.22 0.00 0.00 54.13 56.08 1o5p s LEU 77 Cb -1.37 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 42.19 1o5p s LEU 77 CO 0.65 -0.24 1.31 0.33 -1.32 0.00 0.00 176.35 177.09 1o5p n PHE 78 N 4.45 0.37 -1.95 5.38 7.35 -1.23 -2.89 117.46 128.93 1o5p n PHE 78 Ca 0.01 -0.86 0.00 0.00 -0.76 0.00 0.00 57.45 55.84 1o5p n PHE 78 Cb 0.50 -0.89 0.00 0.00 0.35 0.00 0.00 39.48 39.44 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 4.46 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.56 1o5p n ASP 79 Ca 0.13 -0.96 0.00 0.00 -1.51 0.00 0.00 54.79 52.46 1o5p n ASP 79 Cb 0.06 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.52 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 3.94 0.27 0.00 -1.14 -4.99 105.19 106.06 1o5p n GLY 80 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 5.14 -0.12 2.61 -4.23 -1.26 -4.96 115.64 111.76 1o5p s THR 81 Ca 0.00 -0.51 -0.04 0.00 -1.18 0.00 0.00 61.69 59.96 1o5p s THR 81 Cb 0.00 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1o5p s THR 81 CO 0.00 -0.45 0.04 0.00 -0.54 0.00 0.00 174.62 173.67 1o5p s ARG 82 N -4.07 3.37 0.42 3.99 1.70 -1.26 -1.63 118.95 121.47 1o5p s ARG 82 Ca 0.39 -0.35 0.23 0.00 -0.47 0.00 0.00 55.73 55.53 1o5p s ARG 82 Cb -0.10 -2.98 0.31 0.00 -0.57 0.00 0.00 34.95 31.61 1o5p s ARG 82 CO 0.33 0.57 1.56 2.35 -1.08 0.00 0.00 175.30 179.04 1o5p h TRP 83 N 5.63 0.00 0.00 5.89 7.01 -1.77 -3.45 115.95 129.26 1o5p h TRP 83 Ca -0.46 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.54 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 0.63 0.01 0.00 0.41 -2.79 0.00 0.00 178.44 176.70 1o5p n GLY 84 N 1.11 1.58 3.59 2.65 0.00 -1.26 -4.92 105.19 107.95 1o5p n GLY 84 Ca 0.04 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.56 3.20 -0.59 2.61 -4.23 -1.26 -1.38 115.64 112.44 1o5p s THR 85 Ca 0.00 0.20 -0.27 0.00 -1.18 0.00 0.00 61.69 60.43 1o5p s THR 85 Cb 0.00 -3.29 0.03 0.00 1.34 0.00 0.00 72.50 70.58 1o5p s THR 85 CO 0.00 -0.20 1.14 -0.69 -0.54 0.00 0.00 174.62 174.34 1o5p s VAL 86 N 8.14 4.08 -0.28 2.29 1.01 -0.58 -4.73 120.40 130.32 1o5p s VAL 86 Ca 0.91 0.73 -0.28 0.00 0.00 0.00 0.00 61.98 63.33 1o5p s VAL 86 Cb -0.27 -4.70 -0.03 0.00 0.00 0.00 0.00 36.38 31.38 1o5p s VAL 86 CO 0.33 -1.33 1.83 -1.81 0.00 0.00 0.00 175.10 174.12 1o5p s ASP 87 N 2.99 5.94 0.00 3.32 1.11 -1.26 -1.86 116.67 126.91 1o5p s ASP 87 Ca 0.40 1.49 0.06 0.00 0.18 0.00 0.00 52.55 54.68 1o5p s ASP 87 Cb -0.09 -2.52 0.31 0.00 1.07 0.00 0.00 42.92 41.69 1o5p s ASP 87 CO 0.23 -1.64 1.02 0.00 1.18 0.00 0.00 175.17 175.97 1o5p n THR 89 N -1.26 0.05 -0.02 0.00 -2.24 -1.26 -4.18 114.28 105.37 1o5p n THR 89 Ca 0.03 -0.21 -0.05 0.00 -2.27 0.00 0.00 64.05 61.54 1o5p n THR 89 Cb 0.05 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.06 0.42 -3.22 4.28 -2.24 -0.16 -5.07 114.28 108.23 1o5p n THR 90 Ca 0.19 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.75 1o5p n THR 90 Cb 0.28 -1.59 0.05 0.00 -2.10 0.00 0.00 70.33 66.97 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 -3.30 1.06 -2.96 6.98 0.00 -1.17 -5.09 120.51 116.03 1o5p n ALA 91 Ca -0.10 -1.96 -0.38 0.00 0.00 0.00 0.00 53.44 51.00 1o5p n ALA 91 Cb 0.52 0.60 -0.12 0.00 0.00 0.00 0.00 19.45 20.45 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 -2.66 3.21 -0.26 0.00 0.00 -1.26 -4.72 121.76 116.07 1o5p s ALA 92 Ca 0.50 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.93 1o5p s ALA 92 Cb -0.04 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 1o5p s ALA 92 CO 0.32 -0.89 0.32 0.00 0.00 0.00 0.00 175.76 175.51 1o5p s GLN 94 N 1.78 3.27 -0.40 0.00 -0.21 -0.62 -2.50 119.66 120.99 1o5p s GLN 94 Ca 0.13 -0.37 -0.13 0.00 0.02 0.00 0.00 55.36 55.01 1o5p s GLN 94 Cb -0.15 -3.00 0.03 0.00 1.00 0.00 0.00 33.01 30.88 1o5p s GLN 94 CO 0.09 0.68 0.26 0.08 -2.12 0.00 0.00 175.29 174.28 1o5p s VAL 95 N -1.22 4.93 0.05 1.09 1.01 0.13 -2.28 120.40 124.10 1o5p s VAL 95 Ca 0.24 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 1o5p s VAL 95 Cb -0.12 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1o5p s VAL 95 CO 0.14 -0.29 0.07 0.61 0.00 0.00 0.00 175.10 175.63 1o5p n GLY 96 N 5.08 2.98 3.60 4.51 0.00 -1.07 0.32 105.19 120.62 1o5p n GLY 96 Ca -0.11 -1.40 -0.25 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.82 0.99 4.32 -1.24 -2.17 117.00 115.08 1o5p n LEU 97 Ca 0.00 -2.74 -0.06 0.00 -0.02 0.00 0.00 56.01 53.19 1o5p n LEU 97 Cb 0.08 -0.01 -0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1o5p n LEU 97 CO 0.04 -0.56 0.59 -0.94 -1.22 0.00 0.00 177.39 175.30 1o5p s SER 98 N -4.03 -0.13 0.00 -1.43 1.04 -0.06 -4.34 113.70 104.75 1o5p s SER 98 Ca 0.28 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1o5p s SER 98 Cb -0.02 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1o5p s SER 98 CO 0.17 -1.30 0.00 -0.90 0.98 0.00 0.00 173.24 172.20 1o5p n ASP 99 N -0.84 1.64 -1.20 7.02 5.75 -1.21 0.21 116.55 127.91 1o5p n ASP 99 Ca -0.06 -0.09 -0.06 0.00 -0.01 0.00 0.00 54.79 54.57 1o5p n ASP 99 Cb 0.60 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.82 1o5p n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1o5p n ALA 100 N -3.00 4.15 0.00 2.12 0.00 -1.26 -4.66 120.51 117.85 1o5p n ALA 100 Ca 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.97 1o5p n ALA 100 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.92 1.92 0.00 0.00 0.00 -1.26 -5.02 120.51 115.24 1o5p n ALA 101 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1o5p n ALA 101 Cb 0.81 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.47 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 2.77 1.06 3.16 0.00 0.00 -1.26 -5.14 105.19 105.78 1o5p n GLY 102 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.91 -0.34 1.61 5.03 -1.26 -4.97 115.26 113.41 1o5p n ASN 103 Ca 0.00 -2.31 0.00 0.00 0.87 0.00 0.00 54.58 53.14 1o5p n ASN 103 Cb 0.00 3.19 0.00 0.00 -1.02 0.00 0.00 39.78 41.95 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 -0.45 2.78 2.96 7.41 0.00 -1.26 -3.36 105.19 113.27 1o5p n GLY 104 Ca -0.07 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.83 -1.74 1.61 -0.02 -1.26 -4.89 135.00 126.87 1o5p n PRO 105 Ca 0.00 -0.54 -0.14 0.00 -2.02 0.00 0.00 63.50 60.80 1o5p n PRO 105 Cb 0.00 -1.37 0.07 0.00 -0.02 0.00 0.00 33.50 32.19 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 -0.98 0.13 -4.56 -0.52 0.28 -1.26 -4.58 120.64 109.15 1o5p n GLU 106 Ca 0.05 -1.60 -0.26 0.00 -0.16 0.00 0.00 57.16 55.19 1o5p n GLU 106 Cb 0.28 -0.42 -0.11 0.00 1.43 0.00 0.00 31.44 32.63 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 -4.05 2.29 -0.19 -1.84 0.00 -1.26 -3.58 107.32 98.69 1o5p s GLY 107 Ca 0.40 -2.18 -0.09 0.00 0.00 0.00 0.00 44.72 42.86 1o5p s GLY 107 CO 0.27 -2.01 0.10 0.14 0.00 0.00 0.00 173.10 171.59 1o5p s VAL 108 N -2.81 5.15 -0.13 1.40 1.01 0.15 -4.72 120.40 120.45 1o5p s VAL 108 Ca 0.34 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 1o5p s VAL 108 Cb 0.07 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1o5p s VAL 108 CO 0.17 0.46 1.28 0.00 0.00 0.00 0.00 175.10 177.00 1o5p s ALA 109 N 0.29 3.62 0.40 5.51 0.00 -1.26 0.18 121.76 130.50 1o5p s ALA 109 Ca 0.06 0.54 0.05 0.00 0.00 0.00 0.00 51.96 52.62 1o5p s ALA 109 Cb -0.12 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1o5p s ALA 109 CO -0.01 -1.09 0.57 0.96 0.00 0.00 0.00 175.76 176.19 1o5p s ILE 110 N 3.20 3.61 0.08 0.00 -4.36 -1.04 -4.81 121.20 117.89 1o5p s ILE 110 Ca 0.56 -0.87 0.02 0.00 -0.26 0.00 0.00 60.65 60.11 1o5p s ILE 110 Cb -0.23 -3.27 -0.04 0.00 1.25 0.00 0.00 42.46 40.17 1o5p s ILE 110 CO 0.18 -0.13 -0.08 -0.44 0.24 0.00 0.00 174.94 174.71 1o5p s SER 111 N -4.26 1.14 -0.46 4.36 0.01 0.19 -4.68 113.70 110.00 1o5p s SER 111 Ca 0.50 -0.85 0.03 0.00 1.31 0.00 0.00 55.95 56.93 1o5p s SER 111 Cb -0.10 0.06 0.14 0.00 0.21 0.00 0.00 66.02 66.33 1o5p s SER 111 CO 0.34 -0.36 0.25 -0.36 0.41 0.00 0.00 173.24 173.52 1o5p s PHE 112 N -2.81 2.20 -2.91 2.43 0.08 -1.26 -2.72 117.98 112.99 1o5p s PHE 112 Ca 0.05 -2.57 0.25 0.00 0.12 0.00 0.00 56.93 54.78 1o5p s PHE 112 Cb -0.00 -2.04 0.35 0.00 -0.57 0.00 0.00 43.02 40.75 1o5p s PHE 112 CO -0.02 -0.77 1.35 0.27 -0.10 0.00 0.00 175.22 175.95