#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 2.53 0.85 0.00 0.00 -1.26 -5.06 121.76 118.82 1o5p s ALA 2 Ca 0.00 -1.57 -0.12 0.00 0.00 0.00 0.00 51.96 50.27 1o5p s ALA 2 Cb 0.00 -0.39 0.11 0.00 0.00 0.00 0.00 23.12 22.84 1o5p s ALA 2 CO 0.00 0.47 1.18 -2.30 0.00 0.00 0.00 175.76 175.11 1o5p n PRO 3 N 0.44 -0.06 -3.79 0.00 -0.02 -0.02 -4.56 135.00 126.98 1o5p n PRO 3 Ca -0.14 0.06 -0.09 0.00 -2.02 0.00 0.00 63.50 61.31 1o5p n PRO 3 Cb 0.55 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 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 -2.32 0.12 -0.14 3.45 -4.23 1.09 -4.88 115.64 108.73 1o5p s THR 4 Ca 0.71 -1.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.16 1o5p s THR 4 Cb -0.27 -1.31 0.07 0.00 1.34 0.00 0.00 72.50 72.33 1o5p s THR 4 CO 0.53 -0.54 0.31 0.00 -0.54 0.00 0.00 174.62 174.39 1o5p s ALA 5 N -3.85 -0.73 -0.31 3.99 0.00 -1.26 0.26 121.76 119.87 1o5p s ALA 5 Ca 0.05 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.12 1o5p s ALA 5 Cb 0.04 -1.01 0.06 0.00 0.00 0.00 0.00 23.12 22.20 1o5p s ALA 5 CO -0.11 -0.55 0.01 -0.08 0.00 0.00 0.00 175.76 175.02 1o5p s THR 6 N 2.16 2.93 -0.09 0.00 -1.32 -0.35 -4.86 115.64 114.12 1o5p s THR 6 Ca -0.02 -1.47 0.03 0.00 -1.21 0.00 0.00 61.69 59.01 1o5p s THR 6 Cb -0.11 -2.72 -0.02 0.00 -1.51 0.00 0.00 72.50 68.14 1o5p s THR 6 CO -0.10 -0.15 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.29 1o5p s VAL 7 N 1.22 2.70 -0.16 5.08 1.01 -1.26 -0.39 120.40 128.61 1o5p s VAL 7 Ca -0.04 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 1o5p s VAL 7 Cb -0.20 -2.07 0.13 0.00 0.00 0.00 0.00 36.38 34.24 1o5p s VAL 7 CO -0.02 0.56 1.02 -0.89 0.00 0.00 0.00 175.10 175.77 1o5p s THR 8 N -0.09 0.00 0.53 3.92 2.01 -0.35 -4.43 115.64 117.23 1o5p s THR 8 Ca -0.03 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 1o5p s THR 8 Cb -0.14 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.30 1o5p s THR 8 CO 0.04 0.00 1.03 -2.16 -0.69 0.00 0.00 174.62 172.84 1o5p s PRO 9 N -1.17 3.65 0.06 4.92 0.05 -1.26 -0.41 135.00 140.84 1o5p s PRO 9 Ca -0.01 1.24 0.19 0.00 0.05 0.00 0.00 61.00 62.48 1o5p s PRO 9 Cb -0.00 -2.08 -0.15 0.00 0.05 0.00 0.00 34.50 32.32 1o5p s PRO 9 CO 0.01 -0.54 0.74 0.43 0.05 0.00 0.00 177.00 177.69 1o5p n SER 10 N -1.43 0.60 -4.18 6.66 7.64 -1.26 -4.77 113.62 116.88 1o5p n SER 10 Ca 0.09 0.25 -0.11 0.00 1.01 0.00 0.00 58.87 60.11 1o5p n SER 10 Cb 0.53 0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 64.31 1o5p n SER 10 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1o5p s SER 11 N -5.39 1.26 -0.05 6.43 0.01 -1.26 0.51 113.70 115.20 1o5p s SER 11 Ca -0.04 -0.99 -0.00 0.00 1.31 0.00 0.00 55.95 56.23 1o5p s SER 11 Cb 0.10 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1o5p s SER 11 CO 0.83 -0.43 0.03 0.61 0.41 0.00 0.00 173.24 174.68 1o5p n GLY 12 N -0.02 0.70 0.13 3.44 0.00 -1.11 -4.91 105.19 103.42 1o5p n GLY 12 Ca -0.12 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.46 2.46 -0.92 0.99 4.77 -1.26 -5.06 117.00 117.52 1o5p n LEU 13 Ca -0.00 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1o5p n LEU 13 Cb 0.50 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1o5p n LEU 13 CO 0.02 0.72 -0.27 -0.24 -1.33 0.00 0.00 177.39 176.28 1o5p n SER 14 N -3.72 -5.21 -4.48 -1.43 2.88 -1.26 -3.87 113.62 96.53 1o5p n SER 14 Ca -0.33 0.88 -0.44 0.00 -1.33 0.00 0.00 58.87 57.64 1o5p n SER 14 Cb 0.95 -2.45 -0.08 0.00 -0.75 0.00 0.00 64.21 61.88 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 -1.45 1.69 0.00 -3.46 5.75 -1.26 -1.98 116.55 115.84 1o5p n ASP 15 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 1o5p n ASP 15 Cb 0.12 -1.26 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 6.41 1.56 1.19 6.12 0.00 -1.26 -5.06 105.19 114.15 1o5p n GLY 16 Ca 0.47 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 -4.60 2.61 5.66 -0.84 -4.96 114.28 111.70 1o5p n THR 17 Ca 0.00 -0.64 -0.22 0.00 -3.05 0.00 0.00 64.05 60.14 1o5p n THR 17 Cb 0.00 -0.56 -0.15 0.00 -1.55 0.00 0.00 70.33 68.06 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 -0.53 1.06 0.20 1.08 1.01 -1.26 -2.04 120.40 119.91 1o5p s VAL 18 Ca 0.13 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.65 1o5p s VAL 18 Cb -0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1o5p s VAL 18 CO 0.09 0.31 -0.06 0.68 0.00 0.00 0.00 175.10 176.11 1o5p s VAL 19 N -0.14 3.32 -0.39 2.92 -7.23 0.19 -4.76 120.40 114.32 1o5p s VAL 19 Ca 0.02 -1.67 -0.11 0.00 -1.81 0.00 0.00 61.98 58.41 1o5p s VAL 19 Cb -0.07 -2.67 0.04 0.00 0.56 0.00 0.00 36.38 34.23 1o5p s VAL 19 CO 0.00 -0.16 0.23 -0.75 -0.31 0.00 0.00 175.10 174.11 1o5p s LYS 20 N -3.00 2.80 -0.12 4.82 2.20 0.45 -0.82 119.74 126.07 1o5p s LYS 20 Ca 0.27 -1.15 -0.06 0.00 -0.36 0.00 0.00 55.97 54.66 1o5p s LYS 20 Cb -0.08 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 1o5p s LYS 20 CO 0.17 -0.76 0.13 0.54 -0.36 0.00 0.00 175.35 175.06 1o5p s VAL 21 N 1.54 5.40 0.13 4.02 0.11 -0.80 -1.21 120.40 129.59 1o5p s VAL 21 Ca 0.02 0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.25 1o5p s VAL 21 Cb -0.20 -3.35 -0.04 0.00 -1.53 0.00 0.00 36.38 31.26 1o5p s VAL 21 CO 0.06 0.62 -0.01 0.00 -3.33 0.00 0.00 175.10 172.43 1o5p s ALA 22 N -1.02 1.05 -0.00 1.54 0.00 0.48 -1.89 121.76 121.92 1o5p s ALA 22 Ca 0.15 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.67 1o5p s ALA 22 Cb -0.12 0.45 -0.00 0.00 0.00 0.00 0.00 23.12 23.45 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 -3.08 0.22 -0.06 0.00 0.00 0.21 -1.21 107.32 103.40 1o5p s GLY 23 Ca 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 44.72 44.70 1o5p s GLY 23 CO -0.01 -0.14 0.12 0.00 0.00 0.00 0.00 173.10 173.06 1o5p s ALA 24 N -0.08 -0.10 0.00 3.20 0.00 0.74 0.17 121.76 125.69 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 -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.55 1o5p s ALA 24 CO -0.00 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1o5p n GLY 25 N 4.69 1.02 3.95 0.00 0.00 -1.00 0.35 105.19 114.21 1o5p n GLY 25 Ca -0.17 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.88 0.99 1.43 -0.72 -0.84 118.68 121.64 1o5p s LEU 26 Ca 0.00 0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.95 1o5p s LEU 26 Cb 0.00 -2.77 -0.19 0.00 0.03 0.00 0.00 46.19 43.26 1o5p s LEU 26 CO 0.00 -1.58 2.61 0.00 0.23 0.00 0.00 176.35 177.61 1o5p n GLN 27 N -2.78 0.26 -1.26 1.70 3.00 -1.26 -4.04 117.38 112.99 1o5p n GLN 27 Ca 0.10 -0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.90 1o5p n GLN 27 Cb 0.60 -1.98 -0.10 0.00 0.00 0.00 0.00 30.24 28.76 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 11.75 0.35 0.00 -1.58 0.00 -1.24 -1.23 120.51 128.56 1o5p n ALA 28 Ca 0.59 -2.09 0.00 0.00 0.00 0.00 0.00 53.44 51.94 1o5p n ALA 28 Cb 0.16 -2.92 0.00 0.00 0.00 0.00 0.00 19.45 16.69 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 5.58 0.43 2.64 0.00 0.00 0.96 -4.82 105.19 109.98 1o5p n GLY 29 Ca 0.35 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 -0.53 -0.16 -0.35 2.61 -4.23 -0.36 -4.88 115.64 107.74 1o5p s THR 30 Ca 0.00 -0.26 -0.35 0.00 -1.18 0.00 0.00 61.69 59.90 1o5p s THR 30 Cb 0.00 -0.68 -0.11 0.00 1.34 0.00 0.00 72.50 73.05 1o5p s THR 30 CO 0.00 -0.34 2.20 0.00 -0.54 0.00 0.00 174.62 175.94 1o5p n ALA 31 N 5.29 1.08 -2.86 3.99 0.00 -1.26 -2.73 120.51 124.02 1o5p n ALA 31 Ca -0.06 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.07 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 7.39 3.24 0.36 0.00 1.51 0.15 -4.24 117.35 125.76 1o5p s TYR 32 Ca 1.10 -0.04 0.07 0.00 -1.01 0.00 0.00 57.07 57.19 1o5p s TYR 32 Cb -0.85 -1.50 -0.00 0.00 -0.11 0.00 0.00 41.96 39.50 1o5p s TYR 32 CO 0.49 0.50 0.50 0.34 -1.11 0.00 0.00 175.55 176.27 1o5p s ASP 33 N -3.59 5.88 -0.14 2.29 -1.08 0.13 -1.47 116.67 118.68 1o5p s ASP 33 Ca 0.33 -0.24 -0.05 0.00 -0.52 0.00 0.00 52.55 52.07 1o5p s ASP 33 Cb -0.09 -1.08 0.07 0.00 -1.46 0.00 0.00 42.92 40.36 1o5p s ASP 33 CO 0.26 -0.53 0.30 0.54 0.52 0.00 0.00 175.17 176.25 1o5p s VAL 34 N -2.23 -0.46 0.03 1.11 0.11 -0.55 -1.18 120.40 117.24 1o5p s VAL 34 Ca 0.48 0.25 -0.18 0.00 -2.93 0.00 0.00 61.98 59.60 1o5p s VAL 34 Cb -0.10 -0.49 0.06 0.00 -1.53 0.00 0.00 36.38 34.32 1o5p s VAL 34 CO 0.32 0.11 0.85 0.61 -3.33 0.00 0.00 175.10 173.65 1o5p n GLY 35 N 5.33 0.50 3.44 6.54 0.00 -0.91 -0.43 105.19 119.66 1o5p n GLY 35 Ca -0.07 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 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 3.00 0.06 1.61 -2.07 -1.26 -2.61 119.66 116.37 1o5p s GLN 36 Ca 0.20 -1.08 0.05 0.00 -1.82 0.00 0.00 55.36 52.71 1o5p s GLN 36 Cb -0.01 -4.03 -0.03 0.00 -1.09 0.00 0.00 33.01 27.85 1o5p s GLN 36 CO 0.01 -0.88 -0.14 0.00 -1.32 0.00 0.00 175.29 172.96 1o5p s ALA 38 N -1.12 1.65 -0.35 0.00 0.00 -0.85 -1.76 121.76 119.34 1o5p s ALA 38 Ca -0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 51.96 50.94 1o5p s ALA 38 Cb -0.09 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1o5p s ALA 38 CO 0.02 0.40 0.45 -1.58 0.00 0.00 0.00 175.76 175.05 1o5p s TRP 39 N -0.42 3.19 -0.86 0.00 0.51 -1.26 -1.89 118.94 118.21 1o5p s TRP 39 Ca 0.07 0.07 0.16 0.00 -2.12 0.00 0.00 56.10 54.27 1o5p s TRP 39 Cb -0.08 -2.82 0.60 0.00 -0.81 0.00 0.00 33.47 30.36 1o5p s TRP 39 CO -0.00 -0.51 1.52 1.33 -0.51 0.00 0.00 176.95 178.77 1o5p n VAL 40 N 5.36 1.79 -1.32 4.03 0.24 -0.90 -4.77 118.33 122.75 1o5p n VAL 40 Ca -0.07 -1.31 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 1o5p n VAL 40 Cb 0.49 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 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 0.64 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 113.09 1o5p n ASP 41 Ca 0.22 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.35 1o5p n ASP 41 Cb 0.81 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.87 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 -2.40 3.43 0.00 -3.53 -1.32 -1.26 -2.83 115.64 107.73 1o5p s THR 42 Ca 0.00 0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 1o5p s THR 42 Cb 0.00 -4.11 0.00 0.00 -1.51 0.00 0.00 72.50 66.88 1o5p s THR 42 CO 0.00 -1.07 0.00 0.61 -2.21 0.00 0.00 174.62 171.95 1o5p n GLY 43 N 5.89 0.69 3.11 6.08 0.00 -1.26 -5.04 105.19 114.66 1o5p n GLY 43 Ca 0.22 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 2.71 -0.33 1.61 1.01 -1.13 -4.97 120.40 117.30 1o5p s VAL 44 Ca 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 61.98 60.23 1o5p s VAL 44 Cb 0.00 -2.70 0.08 0.00 0.00 0.00 0.00 36.38 33.76 1o5p s VAL 44 CO 0.00 -0.29 0.04 -0.22 0.00 0.00 0.00 175.10 174.63 1o5p s LEU 45 N 1.13 4.41 -0.43 3.92 2.96 -1.26 -2.12 118.68 127.28 1o5p s LEU 45 Ca -0.01 -1.75 -0.16 0.00 -0.22 0.00 0.00 54.13 51.99 1o5p s LEU 45 Cb -0.20 -1.68 0.03 0.00 0.50 0.00 0.00 46.19 44.83 1o5p s LEU 45 CO -0.04 -0.35 0.40 0.00 -1.32 0.00 0.00 176.35 175.04 1o5p s ALA 46 N 1.09 3.45 0.33 5.97 0.00 -0.79 -3.28 121.76 128.54 1o5p s ALA 46 Ca 0.02 -1.66 0.07 0.00 0.00 0.00 0.00 51.96 50.40 1o5p s ALA 46 Cb -0.20 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1o5p s ALA 46 CO -0.05 -1.59 0.27 0.00 0.00 0.00 0.00 175.76 174.40 1o5p s ASN 48 N -3.97 5.25 0.00 0.00 3.84 -0.84 -0.09 114.94 119.13 1o5p s ASN 48 Ca 0.40 0.09 0.00 0.00 0.21 0.00 0.00 52.86 53.56 1o5p s ASN 48 Cb -0.06 -1.64 0.00 0.00 -0.55 0.00 0.00 41.25 39.00 1o5p s ASN 48 CO 0.26 0.30 0.51 -0.81 -2.79 0.00 0.00 177.10 174.57 1o5p n PRO 49 N 2.66 0.74 0.00 0.43 -0.04 -1.26 -3.16 135.00 134.37 1o5p n PRO 49 Ca -0.18 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.34 1o5p n PRO 49 Cb 0.53 -1.28 -0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.32 2.91 -0.59 0.55 0.00 -1.26 -4.44 120.51 118.00 1o5p n ALA 50 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1o5p n ALA 50 Cb 0.26 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.20 0.66 -4.57 0.00 9.92 -1.19 -3.14 116.55 118.03 1o5p n ASP 51 Ca 0.05 -1.25 -0.20 0.00 -0.53 0.00 0.00 54.79 52.86 1o5p n ASP 51 Cb 0.24 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.65 1o5p n ASP 51 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1o5p s PHE 52 N -0.25 1.48 0.03 1.24 0.40 -1.25 -3.63 117.98 116.01 1o5p s PHE 52 Ca 0.00 1.47 0.00 0.00 -0.60 0.00 0.00 56.93 57.80 1o5p s PHE 52 Cb 0.00 -3.65 0.00 0.00 0.51 0.00 0.00 43.02 39.88 1o5p s PHE 52 CO 0.00 -1.25 0.02 0.43 0.70 0.00 0.00 175.22 175.12 1o5p n SER 53 N 17.06 1.16 0.00 1.36 7.64 0.43 -4.93 113.62 136.35 1o5p n SER 53 Ca 0.43 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 59.22 1o5p n SER 53 Cb 0.46 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 -1.92 0.00 -3.86 6.43 2.88 -1.26 -1.48 113.62 114.42 1o5p n SER 54 Ca -0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1o5p n SER 54 Cb 0.03 0.00 -0.08 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 -0.52 0.13 -0.07 2.46 0.11 -0.54 -4.94 120.40 117.04 1o5p s VAL 55 Ca 0.00 -1.09 -0.08 0.00 -2.93 0.00 0.00 61.98 57.88 1o5p s VAL 55 Cb 0.00 -1.20 -0.04 0.00 -1.53 0.00 0.00 36.38 33.61 1o5p s VAL 55 CO 0.00 -0.60 0.21 -0.89 -3.33 0.00 0.00 175.10 170.49 1o5p s THR 56 N -3.43 5.39 -0.33 5.04 2.01 -1.26 0.30 115.64 123.35 1o5p s THR 56 Ca 0.02 0.26 -0.28 0.00 0.31 0.00 0.00 61.69 62.00 1o5p s THR 56 Cb 0.03 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1o5p s THR 56 CO -0.09 0.53 2.04 0.00 -0.69 0.00 0.00 174.62 176.42 1o5p s ALA 57 N -1.12 2.60 0.00 7.40 0.00 -1.10 -4.69 121.76 124.85 1o5p s ALA 57 Ca 0.20 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1o5p s ALA 57 Cb -0.13 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 18.89 1o5p s ALA 57 CO 0.09 -3.02 0.00 -0.40 0.00 0.00 0.00 175.76 172.43 1o5p n ASP 58 N 11.72 0.00 -0.10 0.00 5.75 -1.26 0.32 116.55 132.98 1o5p n ASP 58 Ca 0.27 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.99 1o5p n ASP 58 Cb 0.47 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.57 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 0.15 0.00 2.12 0.00 -1.92 -3.11 119.26 114.50 1o5p h ALA 59 Ca 0.00 0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.71 1o5p h ALA 59 Cb 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1o5p h ALA 59 CO 0.00 -0.51 -2.27 -1.71 0.00 0.00 0.00 179.25 174.76 1o5p n ASN 60 N -5.33 1.34 0.00 0.00 2.85 -1.26 -4.54 115.26 108.32 1o5p n ASN 60 Ca 0.01 -0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1o5p n ASN 60 Cb 0.24 0.33 0.00 0.00 1.24 0.00 0.00 39.78 41.59 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 2.13 0.74 3.74 8.20 0.00 -1.18 -1.75 105.19 117.07 1o5p n GLY 61 Ca -0.35 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.27 6.22 -0.21 1.61 0.01 -1.25 -2.36 113.70 116.44 1o5p s SER 62 Ca 0.00 0.25 -0.02 0.00 1.31 0.00 0.00 55.95 57.48 1o5p s SER 62 Cb 0.00 -2.09 0.06 0.00 0.21 0.00 0.00 66.02 64.21 1o5p s SER 62 CO 0.00 0.20 0.03 0.00 0.41 0.00 0.00 173.24 173.88 1o5p s ALA 63 N 0.24 1.13 -0.19 1.44 0.00 0.13 -4.62 121.76 119.89 1o5p s ALA 63 Ca 0.09 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1o5p s ALA 63 Cb -0.11 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.81 1o5p s ALA 63 CO -0.01 -1.21 -0.15 -1.12 0.00 0.00 0.00 175.76 173.27 1o5p s SER 64 N 1.80 3.34 -0.01 0.00 0.01 -1.26 0.67 113.70 118.24 1o5p s SER 64 Ca -0.01 -0.81 -0.12 0.00 1.31 0.00 0.00 55.95 56.33 1o5p s SER 64 Cb -0.17 -1.38 0.01 0.00 0.21 0.00 0.00 66.02 64.69 1o5p s SER 64 CO -0.09 -0.08 0.24 0.28 0.41 0.00 0.00 173.24 174.00 1o5p s THR 65 N 1.32 0.06 -0.00 1.44 -1.32 -0.79 -5.02 115.64 111.33 1o5p s THR 65 Ca 0.01 -0.53 -0.05 0.00 -1.21 0.00 0.00 61.69 59.91 1o5p s THR 65 Cb -0.15 -0.53 -0.04 0.00 -1.51 0.00 0.00 72.50 70.27 1o5p s THR 65 CO -0.10 -0.29 0.23 -0.94 -2.21 0.00 0.00 174.62 171.31 1o5p s SER 66 N -1.26 6.44 0.06 8.08 1.04 -1.26 -1.91 113.70 124.90 1o5p s SER 66 Ca -0.13 0.48 -0.00 0.00 0.48 0.00 0.00 55.95 56.78 1o5p s SER 66 Cb -0.06 -2.06 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 1o5p s SER 66 CO 0.03 0.26 -0.04 -0.76 0.98 0.00 0.00 173.24 173.71 1o5p s LEU 67 N -1.81 2.49 -0.24 2.42 1.43 -0.00 -4.95 118.68 118.01 1o5p s LEU 67 Ca 0.27 -0.98 -0.10 0.00 -1.03 0.00 0.00 54.13 52.29 1o5p s LEU 67 Cb -0.13 0.13 -0.05 0.00 0.03 0.00 0.00 46.19 46.17 1o5p s LEU 67 CO 0.17 -0.56 0.14 0.42 0.23 0.00 0.00 176.35 176.75 1o5p s THR 68 N -3.76 5.14 0.01 5.49 -4.23 -1.19 0.57 115.64 117.68 1o5p s THR 68 Ca 0.07 0.10 0.01 0.00 -1.18 0.00 0.00 61.69 60.70 1o5p s THR 68 Cb 0.07 -3.40 -0.01 0.00 1.34 0.00 0.00 72.50 70.50 1o5p s THR 68 CO -0.08 0.34 -0.04 0.68 -0.54 0.00 0.00 174.62 174.98 1o5p s VAL 69 N 1.18 0.25 0.19 2.29 -7.23 -0.87 -4.28 120.40 111.93 1o5p s VAL 69 Ca 0.07 -0.39 -0.00 0.00 -1.81 0.00 0.00 61.98 59.84 1o5p s VAL 69 Cb -0.14 -0.27 0.00 0.00 0.56 0.00 0.00 36.38 36.53 1o5p s VAL 69 CO 0.05 -0.10 0.25 -2.11 -0.31 0.00 0.00 175.10 172.88 1o5p n ARG 70 N 2.54 0.36 0.00 4.82 1.85 -1.26 -4.25 116.66 120.71 1o5p n ARG 70 Ca -0.16 -1.53 0.00 0.00 -1.00 0.00 0.00 57.85 55.16 1o5p n ARG 70 Cb 0.58 1.44 0.00 0.00 -1.05 0.00 0.00 32.46 33.43 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 -0.31 0.00 -1.72 2.89 1.85 -1.26 -4.53 116.66 113.57 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 0.31 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.73 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 2.96 -3.63 2.89 7.64 -1.26 -1.89 113.62 120.32 1o5p n SER 72 Ca 0.00 1.18 -0.11 0.00 1.01 0.00 0.00 58.87 60.95 1o5p n SER 72 Cb 0.00 -1.52 -0.07 0.00 -1.01 0.00 0.00 64.21 61.61 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 -0.80 -0.30 1.43 -0.71 -0.66 -4.82 117.98 110.98 1o5p s PHE 73 Ca 0.57 1.82 -0.36 0.00 -1.04 0.00 0.00 56.93 57.91 1o5p s PHE 73 Cb -0.53 0.39 -0.16 0.00 -1.21 0.00 0.00 43.02 41.51 1o5p s PHE 73 CO 0.61 -0.39 1.17 0.39 -1.34 0.00 0.00 175.22 175.66 1o5p n GLU 74 N 3.12 0.00 -1.90 1.99 4.71 -1.26 -1.70 120.64 125.59 1o5p n GLU 74 Ca -0.16 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.63 1o5p n GLU 74 Cb 0.56 -1.19 -0.00 0.00 -1.01 0.00 0.00 31.44 29.80 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 2.71 5.20 3.38 0.62 0.00 -0.57 -2.40 105.19 114.12 1o5p n GLY 75 Ca 0.23 -2.25 -0.62 0.00 0.00 0.00 0.00 46.02 43.37 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 0.25 1.37 -2.83 1.61 3.01 0.87 -2.29 117.46 119.46 1o5p n PHE 76 Ca 0.52 0.90 -0.42 0.00 1.01 0.00 0.00 57.45 59.47 1o5p n PHE 76 Cb 0.34 -2.22 -0.04 0.00 -0.01 0.00 0.00 39.48 37.56 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 4.68 4.25 -0.28 4.37 2.96 -0.55 -1.93 118.68 132.18 1o5p s LEU 77 Ca 1.11 1.36 -0.02 0.00 -0.22 0.00 0.00 54.13 56.36 1o5p s LEU 77 Cb -1.47 -3.36 -0.02 0.00 0.50 0.00 0.00 46.19 41.84 1o5p s LEU 77 CO 0.71 -0.35 1.36 0.33 -1.32 0.00 0.00 176.35 177.08 1o5p n PHE 78 N 4.72 0.42 -1.99 5.38 7.35 -1.20 -2.92 117.46 129.22 1o5p n PHE 78 Ca 0.05 -0.92 -0.00 0.00 -0.76 0.00 0.00 57.45 55.82 1o5p n PHE 78 Cb 0.50 -0.93 -0.00 0.00 0.35 0.00 0.00 39.48 39.39 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 -4.98 116.55 112.55 1o5p n ASP 79 Ca 0.15 -0.99 0.00 0.00 -1.51 0.00 0.00 54.79 52.44 1o5p n ASP 79 Cb 0.07 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.53 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 2.75 3.96 0.27 0.00 -1.15 -4.99 105.19 106.03 1o5p n GLY 80 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.09 5.07 -0.06 2.61 -4.23 -1.26 -4.96 115.64 111.72 1o5p s THR 81 Ca 0.00 -0.69 -0.01 0.00 -1.18 0.00 0.00 61.69 59.81 1o5p s THR 81 Cb 0.00 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 1o5p s THR 81 CO 0.00 -0.44 0.03 0.00 -0.54 0.00 0.00 174.62 173.66 1o5p s ARG 82 N -4.19 3.00 0.30 3.99 1.70 -1.26 -1.48 118.95 121.00 1o5p s ARG 82 Ca 0.38 -0.43 0.23 0.00 -0.47 0.00 0.00 55.73 55.44 1o5p s ARG 82 Cb -0.09 -2.81 0.21 0.00 -0.57 0.00 0.00 34.95 31.68 1o5p s ARG 82 CO 0.33 0.69 1.34 2.35 -1.08 0.00 0.00 175.30 178.93 1o5p h TRP 83 N 4.83 0.00 0.00 5.89 7.01 -1.78 -3.45 115.95 128.45 1o5p h TRP 83 Ca -0.51 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.49 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 0.64 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.70 1o5p n GLY 84 N 1.16 1.15 3.58 2.65 0.00 -1.26 -4.91 105.19 107.56 1o5p n GLY 84 Ca 0.02 -2.24 -0.41 0.00 0.00 0.00 0.00 46.02 43.39 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 -1.25 3.35 -0.54 2.61 -4.23 -1.26 -1.52 115.64 112.80 1o5p s THR 85 Ca 0.00 0.31 -0.28 0.00 -1.18 0.00 0.00 61.69 60.54 1o5p s THR 85 Cb 0.00 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.25 1o5p s THR 85 CO 0.00 -0.48 1.35 -0.69 -0.54 0.00 0.00 174.62 174.25 1o5p s VAL 86 N 8.27 3.88 -0.26 2.29 1.01 -0.69 -4.68 120.40 130.22 1o5p s VAL 86 Ca 0.80 0.79 -0.29 0.00 0.00 0.00 0.00 61.98 63.28 1o5p s VAL 86 Cb -0.20 -4.48 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 1o5p s VAL 86 CO 0.29 -1.14 1.87 -1.81 0.00 0.00 0.00 175.10 174.31 1o5p s ASP 87 N 3.90 5.93 0.00 3.32 1.01 -1.26 -1.66 116.67 127.91 1o5p s ASP 87 Ca 0.51 1.60 0.07 0.00 0.71 0.00 0.00 52.55 55.44 1o5p s ASP 87 Cb -0.10 -2.52 0.35 0.00 1.01 0.00 0.00 42.92 41.65 1o5p s ASP 87 CO 0.27 -1.63 1.06 0.00 0.21 0.00 0.00 175.17 175.07 1o5p n THR 89 N -1.27 0.00 -0.04 0.00 -2.24 -1.26 -4.13 114.28 105.34 1o5p n THR 89 Ca 0.03 -0.15 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 1o5p n THR 89 Cb 0.05 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 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 -0.30 0.56 -3.34 4.28 -2.24 -0.15 -5.06 114.28 108.03 1o5p n THR 90 Ca 0.20 -0.09 -0.20 0.00 -2.27 0.00 0.00 64.05 61.70 1o5p n THR 90 Cb 0.27 -1.64 0.04 0.00 -2.10 0.00 0.00 70.33 66.90 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 -3.44 0.98 -3.01 6.98 0.00 -1.17 -5.09 120.51 115.76 1o5p n ALA 91 Ca -0.16 -1.93 -0.38 0.00 0.00 0.00 0.00 53.44 50.97 1o5p n ALA 91 Cb 0.58 0.63 -0.12 0.00 0.00 0.00 0.00 19.45 20.54 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 3.18 -0.26 0.00 0.00 -1.26 -4.71 121.76 116.04 1o5p s ALA 92 Ca 0.45 -1.41 -0.14 0.00 0.00 0.00 0.00 51.96 50.86 1o5p s ALA 92 Cb -0.04 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 1o5p s ALA 92 CO 0.28 -0.90 0.31 0.00 0.00 0.00 0.00 175.76 175.45 1o5p s GLN 94 N 1.81 3.24 -0.36 0.00 -0.21 -0.72 -2.59 119.66 120.83 1o5p s GLN 94 Ca 0.13 -0.44 -0.11 0.00 0.02 0.00 0.00 55.36 54.96 1o5p s GLN 94 Cb -0.15 -2.96 0.02 0.00 1.00 0.00 0.00 33.01 30.91 1o5p s GLN 94 CO 0.09 0.64 0.20 0.08 -2.12 0.00 0.00 175.29 174.18 1o5p s VAL 95 N -1.31 4.61 0.00 1.09 1.01 0.14 -2.22 120.40 123.71 1o5p s VAL 95 Ca 0.27 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1o5p s VAL 95 Cb -0.12 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1o5p s VAL 95 CO 0.19 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1o5p n GLY 96 N 5.00 2.73 3.85 4.51 0.00 -1.07 0.25 105.19 120.45 1o5p n GLY 96 Ca -0.12 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 1o5p n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1o5p s LEU 97 N 0.00 2.45 0.24 0.99 1.02 -1.24 -2.14 118.68 120.00 1o5p s LEU 97 Ca 0.00 -1.46 -0.22 0.00 0.02 0.00 0.00 54.13 52.47 1o5p s LEU 97 Cb 0.00 -0.94 0.04 0.00 0.02 0.00 0.00 46.19 45.30 1o5p s LEU 97 CO 0.00 -1.04 0.71 -0.94 0.02 0.00 0.00 176.35 175.10 1o5p s SER 98 N -4.13 -0.32 0.00 2.29 1.04 -0.33 -4.26 113.70 108.00 1o5p s SER 98 Ca 0.19 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1o5p s SER 98 Cb -0.01 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1o5p s SER 98 CO 0.12 -1.22 0.00 -0.90 0.98 0.00 0.00 173.24 172.22 1o5p n ASP 99 N -0.44 1.02 -1.71 7.02 5.75 -1.20 0.19 116.55 127.18 1o5p n ASP 99 Ca -0.07 -0.05 -0.18 0.00 -0.01 0.00 0.00 54.79 54.48 1o5p n ASP 99 Cb 0.60 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.78 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 4.86 0.00 2.12 0.00 -1.26 -4.64 120.51 118.59 1o5p n ALA 100 Ca 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 53.44 49.84 1o5p n ALA 100 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.85 1.94 0.00 0.00 0.00 -1.26 -5.02 120.51 115.31 1o5p n ALA 101 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1o5p n ALA 101 Cb 0.90 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.69 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 2.96 0.57 3.42 0.00 0.00 -1.26 -5.13 105.19 105.74 1o5p n GLY 102 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 1o5p n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o5p s ASN 103 N 0.00 0.10 0.00 1.61 2.20 -1.26 -4.97 114.94 112.62 1o5p s ASN 103 Ca 0.00 -1.16 0.00 0.00 -0.94 0.00 0.00 52.86 50.76 1o5p s ASN 103 Cb 0.00 0.51 0.00 0.00 -2.00 0.00 0.00 41.25 39.76 1o5p s ASN 103 CO 0.00 -1.03 0.00 0.61 -2.94 0.00 0.00 177.10 173.74 1o5p n GLY 104 N -0.35 2.20 2.96 0.45 0.00 -1.26 -3.27 105.19 105.91 1o5p n GLY 104 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.99 -2.19 1.61 -0.02 -1.26 -4.90 135.00 126.25 1o5p n PRO 105 Ca 0.00 -0.59 -0.18 0.00 -2.02 0.00 0.00 63.50 60.71 1o5p n PRO 105 Cb 0.00 -1.39 0.09 0.00 -0.02 0.00 0.00 33.50 32.18 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 -1.21 0.07 -4.52 -0.52 0.28 -1.26 -4.64 120.64 108.85 1o5p n GLU 106 Ca 0.05 -2.18 -0.25 0.00 -0.16 0.00 0.00 57.16 54.63 1o5p n GLU 106 Cb 0.28 -0.51 -0.11 0.00 1.43 0.00 0.00 31.44 32.53 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 -4.52 2.14 -0.18 -1.84 0.00 -1.26 -3.64 107.32 98.02 1o5p s GLY 107 Ca 0.52 -2.07 -0.08 0.00 0.00 0.00 0.00 44.72 43.09 1o5p s GLY 107 CO 0.35 -1.99 0.07 0.14 0.00 0.00 0.00 173.10 171.67 1o5p s VAL 108 N -2.74 4.91 -0.11 1.40 1.01 0.14 -4.74 120.40 120.27 1o5p s VAL 108 Ca 0.32 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1o5p s VAL 108 Cb 0.04 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1o5p s VAL 108 CO 0.16 0.46 1.30 0.00 0.00 0.00 0.00 175.10 177.01 1o5p s ALA 109 N 0.34 3.61 0.41 5.51 0.00 -1.26 0.25 121.76 130.61 1o5p s ALA 109 Ca 0.04 0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.64 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 -0.00 -1.06 0.58 0.96 0.00 0.00 0.00 175.76 176.24 1o5p s ILE 110 N 3.10 3.53 0.04 0.00 -4.36 -1.07 -4.83 121.20 117.60 1o5p s ILE 110 Ca 0.58 -0.87 0.01 0.00 -0.26 0.00 0.00 60.65 60.11 1o5p s ILE 110 Cb -0.25 -3.24 -0.02 0.00 1.25 0.00 0.00 42.46 40.20 1o5p s ILE 110 CO 0.19 -0.11 -0.06 -0.94 0.24 0.00 0.00 174.94 174.26 1o5p s SER 111 N -4.27 0.68 -0.25 4.36 1.04 0.18 -4.73 113.70 110.72 1o5p s SER 111 Ca 0.50 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.35 1o5p s SER 111 Cb -0.10 0.07 0.07 0.00 0.10 0.00 0.00 66.02 66.16 1o5p s SER 111 CO 0.34 -0.27 -0.02 -0.36 0.98 0.00 0.00 173.24 173.90 1o5p s PHE 112 N -1.70 2.37 -1.45 5.02 0.08 -1.26 -2.74 117.98 118.29 1o5p s PHE 112 Ca -0.09 -1.82 0.00 0.00 0.12 0.00 0.00 56.93 55.14 1o5p s PHE 112 Cb -0.08 -1.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 1o5p s PHE 112 CO -0.01 -0.79 0.36 0.27 -0.10 0.00 0.00 175.22 174.95