#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 3.25 0.81 0.00 0.00 -1.26 -5.03 121.76 119.54 1o5p s ALA 2 Ca 0.00 -1.24 -0.13 0.00 0.00 0.00 0.00 51.96 50.59 1o5p s ALA 2 Cb 0.00 -1.10 0.09 0.00 0.00 0.00 0.00 23.12 22.11 1o5p s ALA 2 CO 0.00 0.59 1.19 -1.25 0.00 0.00 0.00 175.76 176.29 1o5p s PRO 3 N -2.65 1.62 0.14 0.00 0.04 -0.33 -4.54 135.00 129.28 1o5p s PRO 3 Ca 0.27 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 62.85 1o5p s PRO 3 Cb -0.10 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.68 1o5p s PRO 3 CO 0.19 -2.22 0.40 0.95 0.04 0.00 0.00 177.00 176.35 1o5p s THR 4 N -2.24 0.07 -0.12 1.26 -4.23 1.11 -4.89 115.64 106.59 1o5p s THR 4 Ca 0.72 -0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 1o5p s THR 4 Cb -0.27 -1.30 0.05 0.00 1.34 0.00 0.00 72.50 72.32 1o5p s THR 4 CO 0.51 -0.31 0.29 0.00 -0.54 0.00 0.00 174.62 174.57 1o5p s ALA 5 N -3.83 -0.67 -0.43 3.99 0.00 -1.26 0.23 121.76 119.79 1o5p s ALA 5 Ca 0.05 1.12 -0.10 0.00 0.00 0.00 0.00 51.96 53.03 1o5p s ALA 5 Cb 0.02 -0.76 0.08 0.00 0.00 0.00 0.00 23.12 22.46 1o5p s ALA 5 CO -0.10 -0.28 0.28 0.95 0.00 0.00 0.00 175.76 176.62 1o5p s THR 6 N 1.46 4.39 -0.20 0.00 -4.23 -0.21 -4.79 115.64 112.06 1o5p s THR 6 Ca -0.08 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1o5p s THR 6 Cb -0.10 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 70.08 1o5p s THR 6 CO -0.10 -0.52 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.62 1o5p s VAL 7 N 1.46 2.34 -0.10 2.29 1.01 -1.24 0.12 120.40 126.27 1o5p s VAL 7 Ca 0.03 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 1o5p s VAL 7 Cb -0.23 -2.05 0.09 0.00 0.00 0.00 0.00 36.38 34.19 1o5p s VAL 7 CO 0.03 0.45 0.80 -0.89 0.00 0.00 0.00 175.10 175.49 1o5p s THR 8 N 1.31 0.00 0.50 3.92 2.01 -0.54 -4.38 115.64 118.45 1o5p s THR 8 Ca 0.04 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.85 1o5p s THR 8 Cb -0.14 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.29 1o5p s THR 8 CO -0.10 0.00 1.00 -2.16 -0.69 0.00 0.00 174.62 172.67 1o5p s PRO 9 N -1.06 3.87 0.05 4.92 0.05 -1.26 -1.06 135.00 140.50 1o5p s PRO 9 Ca -0.07 1.17 0.18 0.00 0.05 0.00 0.00 61.00 62.34 1o5p s PRO 9 Cb -0.00 -2.12 -0.15 0.00 0.05 0.00 0.00 34.50 32.28 1o5p s PRO 9 CO 0.06 -0.35 0.75 -1.13 0.05 0.00 0.00 177.00 176.38 1o5p n SER 10 N -1.20 0.71 -4.28 6.66 3.41 -1.26 -4.77 113.62 112.89 1o5p n SER 10 Ca 0.08 0.31 -0.15 0.00 -0.26 0.00 0.00 58.87 58.85 1o5p n SER 10 Cb 0.53 0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 64.81 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 -5.59 1.42 -0.32 4.04 0.01 -1.26 0.47 113.70 112.47 1o5p s SER 11 Ca -0.04 -1.20 -0.02 0.00 1.31 0.00 0.00 55.95 56.00 1o5p s SER 11 Cb 0.09 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1o5p s SER 11 CO 0.82 -0.56 0.23 0.61 0.41 0.00 0.00 173.24 174.75 1o5p n GLY 12 N -0.32 0.55 0.13 3.44 0.00 -1.17 -4.90 105.19 102.92 1o5p n GLY 12 Ca -0.06 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.39 2.35 -1.07 0.99 4.77 -1.26 -5.06 117.00 116.33 1o5p n LEU 13 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1o5p n LEU 13 Cb 0.52 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1o5p n LEU 13 CO 0.13 0.64 -0.32 -0.24 -1.33 0.00 0.00 177.39 176.28 1o5p n SER 14 N -3.85 -5.95 -4.46 -1.43 2.88 -1.26 -3.85 113.62 95.70 1o5p n SER 14 Ca -0.36 1.04 -0.48 0.00 -1.33 0.00 0.00 58.87 57.74 1o5p n SER 14 Cb 0.90 -3.02 -0.07 0.00 -0.75 0.00 0.00 64.21 61.27 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 -1.54 2.02 0.00 -3.46 5.75 -1.26 -1.99 116.55 116.06 1o5p n ASP 15 Ca 0.00 0.30 0.00 0.00 -0.01 0.00 0.00 54.79 55.08 1o5p n ASP 15 Cb 0.15 -1.27 0.00 0.00 -1.03 0.00 0.00 41.12 38.97 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 6.49 1.46 0.95 6.12 0.00 -1.26 -5.06 105.19 113.89 1o5p n GLY 16 Ca 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.69 0.00 -4.46 2.61 5.66 -0.84 -4.96 114.28 111.59 1o5p n THR 17 Ca 0.00 -0.50 -0.20 0.00 -3.05 0.00 0.00 64.05 60.30 1o5p n THR 17 Cb 0.00 -0.68 -0.15 0.00 -1.55 0.00 0.00 70.33 67.95 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 -0.20 0.86 0.19 1.08 1.01 -1.26 -1.94 120.40 120.13 1o5p s VAL 18 Ca 0.12 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.74 1o5p s VAL 18 Cb -0.01 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1o5p s VAL 18 CO 0.08 0.25 -0.09 0.68 0.00 0.00 0.00 175.10 176.01 1o5p s VAL 19 N -0.14 3.19 -0.35 2.92 -7.23 0.17 -4.74 120.40 114.22 1o5p s VAL 19 Ca 0.02 -1.70 -0.07 0.00 -1.81 0.00 0.00 61.98 58.43 1o5p s VAL 19 Cb -0.05 -2.59 0.05 0.00 0.56 0.00 0.00 36.38 34.34 1o5p s VAL 19 CO -0.00 -0.14 0.14 -0.75 -0.31 0.00 0.00 175.10 174.04 1o5p s LYS 20 N -2.91 2.60 -0.23 4.82 2.20 -0.22 -0.80 119.74 125.20 1o5p s LYS 20 Ca 0.25 -1.24 -0.06 0.00 -0.36 0.00 0.00 55.97 54.56 1o5p s LYS 20 Cb -0.08 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 1o5p s LYS 20 CO 0.15 -0.72 0.04 0.54 -0.36 0.00 0.00 175.35 175.00 1o5p s VAL 21 N 1.40 4.21 0.35 4.02 0.11 -0.87 -1.47 120.40 128.15 1o5p s VAL 21 Ca -0.00 -0.21 0.08 0.00 -2.93 0.00 0.00 61.98 58.91 1o5p s VAL 21 Cb -0.20 -2.94 -0.05 0.00 -1.53 0.00 0.00 36.38 31.66 1o5p s VAL 21 CO 0.03 0.38 0.12 0.00 -3.33 0.00 0.00 175.10 172.29 1o5p s ALA 22 N 1.28 3.44 -0.21 1.54 0.00 0.32 -2.26 121.76 125.87 1o5p s ALA 22 Ca 0.04 -1.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.07 1o5p s ALA 22 Cb -0.15 -0.60 0.09 0.00 0.00 0.00 0.00 23.12 22.47 1o5p s ALA 22 CO 0.03 0.02 0.19 0.20 0.00 0.00 0.00 175.76 176.19 1o5p s GLY 23 N -3.82 0.11 -0.02 0.00 0.00 0.22 -1.04 107.32 102.76 1o5p s GLY 23 Ca 0.37 -0.06 0.06 0.00 0.00 0.00 0.00 44.72 45.09 1o5p s GLY 23 CO 0.22 2.11 -0.19 0.00 0.00 0.00 0.00 173.10 175.24 1o5p s ALA 24 N 2.27 2.49 0.00 3.20 0.00 0.61 0.66 121.76 130.99 1o5p s ALA 24 Ca 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1o5p s ALA 24 Cb -0.16 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1o5p s ALA 24 CO -0.16 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1o5p n GLY 25 N 2.19 0.72 3.99 0.00 0.00 -0.93 0.36 105.19 111.53 1o5p n GLY 25 Ca -0.17 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 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 3.14 -0.89 0.99 1.43 -0.84 -1.18 118.68 121.33 1o5p s LEU 26 Ca 0.00 -0.33 -0.25 0.00 -1.03 0.00 0.00 54.13 52.52 1o5p s LEU 26 Cb 0.00 -2.27 -0.21 0.00 0.03 0.00 0.00 46.19 43.74 1o5p s LEU 26 CO 0.00 -1.46 2.52 0.00 0.23 0.00 0.00 176.35 177.64 1o5p n GLN 27 N -2.51 0.23 -1.18 1.70 3.00 -1.26 -4.11 117.38 113.26 1o5p n GLN 27 Ca 0.12 -0.06 -0.20 0.00 -0.01 0.00 0.00 57.00 56.86 1o5p n GLN 27 Cb 0.60 -1.90 -0.10 0.00 0.00 0.00 0.00 30.24 28.85 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 11.03 0.39 0.00 -1.58 0.00 -1.23 -1.26 120.51 127.85 1o5p n ALA 28 Ca 0.60 -2.09 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1o5p n ALA 28 Cb 0.17 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 16.74 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 5.45 0.49 2.88 0.00 0.00 0.92 -4.82 105.19 110.11 1o5p n GLY 29 Ca 0.35 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.22 1o5p n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1o5p s THR 30 N -0.62 -0.40 -0.09 2.61 -1.32 -0.39 -4.88 115.64 110.55 1o5p s THR 30 Ca 0.00 0.06 -0.39 0.00 -1.21 0.00 0.00 61.69 60.14 1o5p s THR 30 Cb 0.00 -0.60 -0.17 0.00 -1.51 0.00 0.00 72.50 70.22 1o5p s THR 30 CO 0.00 -0.06 1.44 0.00 -2.21 0.00 0.00 174.62 173.79 1o5p n ALA 31 N 5.34 -1.20 -2.44 11.08 0.00 -1.26 -2.69 120.51 129.33 1o5p n ALA 31 Ca -0.05 0.49 -0.29 0.00 0.00 0.00 0.00 53.44 53.59 1o5p n ALA 31 Cb 0.50 -2.06 -0.12 0.00 0.00 0.00 0.00 19.45 17.77 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 1.54 2.40 0.19 0.00 2.02 0.14 -4.59 117.35 119.04 1o5p s TYR 32 Ca 0.91 -0.33 0.04 0.00 -0.37 0.00 0.00 57.07 57.33 1o5p s TYR 32 Cb -1.09 -1.26 -0.03 0.00 -0.40 0.00 0.00 41.96 39.18 1o5p s TYR 32 CO 0.57 0.40 0.27 -0.51 -1.57 0.00 0.00 175.55 174.71 1o5p s ASP 33 N -2.26 6.12 -0.11 2.29 1.01 0.74 -1.76 116.67 122.69 1o5p s ASP 33 Ca 0.17 0.05 -0.03 0.00 0.71 0.00 0.00 52.55 53.45 1o5p s ASP 33 Cb -0.10 -1.77 0.04 0.00 1.01 0.00 0.00 42.92 42.11 1o5p s ASP 33 CO 0.09 0.01 0.07 0.54 0.21 0.00 0.00 175.17 176.09 1o5p s VAL 34 N -1.84 -0.02 0.26 -1.27 0.11 -0.90 -0.99 120.40 115.74 1o5p s VAL 34 Ca 0.34 0.09 -0.16 0.00 -2.93 0.00 0.00 61.98 59.32 1o5p s VAL 34 Cb -0.10 -0.42 0.06 0.00 -1.53 0.00 0.00 36.38 34.39 1o5p s VAL 34 CO 0.27 -0.04 0.79 0.61 -3.33 0.00 0.00 175.10 173.40 1o5p n GLY 35 N 5.26 0.92 3.42 6.54 0.00 -0.91 -0.32 105.19 120.10 1o5p n GLY 35 Ca -0.05 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 2.90 0.07 1.61 -2.07 -1.26 -2.54 119.66 116.30 1o5p s GLN 36 Ca 0.17 -1.09 0.05 0.00 -1.82 0.00 0.00 55.36 52.67 1o5p s GLN 36 Cb -0.04 -3.90 -0.03 0.00 -1.09 0.00 0.00 33.01 27.96 1o5p s GLN 36 CO 0.08 -0.77 -0.14 0.00 -1.32 0.00 0.00 175.29 173.14 1o5p s ALA 38 N -1.19 1.82 -0.35 0.00 0.00 -0.81 -1.71 121.76 119.52 1o5p s ALA 38 Ca -0.01 -0.91 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 1o5p s ALA 38 Cb -0.10 -0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 1o5p s ALA 38 CO 0.02 0.41 0.45 -1.58 0.00 0.00 0.00 175.76 175.06 1o5p s TRP 39 N -0.34 3.19 -0.79 0.00 0.51 -1.26 -1.84 118.94 118.42 1o5p s TRP 39 Ca 0.04 0.06 0.16 0.00 -2.12 0.00 0.00 56.10 54.24 1o5p s TRP 39 Cb -0.10 -2.83 0.58 0.00 -0.81 0.00 0.00 33.47 30.32 1o5p s TRP 39 CO 0.01 -0.51 1.50 1.33 -0.51 0.00 0.00 176.95 178.76 1o5p n VAL 40 N 5.36 1.82 -1.42 4.03 0.24 -0.90 -4.75 118.33 122.70 1o5p n VAL 40 Ca -0.07 -1.35 0.00 0.00 -2.04 0.00 0.00 64.34 60.89 1o5p n VAL 40 Cb 0.49 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 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 0.53 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 112.98 1o5p n ASP 41 Ca 0.21 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.35 1o5p n ASP 41 Cb 0.80 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 0.42 -0.39 0.00 0.00 177.20 177.23 1o5p s THR 42 N -2.44 3.46 0.00 -3.53 -4.23 -1.26 -2.88 115.64 104.76 1o5p s THR 42 Ca 0.00 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1o5p s THR 42 Cb 0.00 -4.17 0.00 0.00 1.34 0.00 0.00 72.50 69.67 1o5p s THR 42 CO 0.00 -1.12 0.00 0.61 -0.54 0.00 0.00 174.62 173.57 1o5p n GLY 43 N 5.91 0.69 3.12 3.99 0.00 -1.26 -5.04 105.19 112.60 1o5p n GLY 43 Ca 0.22 -0.72 -0.34 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 2.77 -0.33 1.61 1.01 -1.14 -4.98 120.40 117.34 1o5p s VAL 44 Ca 0.00 -1.73 0.01 0.00 0.00 0.00 0.00 61.98 60.25 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 -0.29 0.05 -0.22 0.00 0.00 0.00 175.10 174.63 1o5p s LEU 45 N 1.14 4.43 -0.43 3.92 2.96 -1.26 -2.12 118.68 127.32 1o5p s LEU 45 Ca -0.00 -1.77 -0.16 0.00 -0.22 0.00 0.00 54.13 51.97 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 -0.36 0.40 0.00 -1.32 0.00 0.00 176.35 175.04 1o5p s ALA 46 N 1.08 3.45 0.36 5.97 0.00 -0.76 -3.45 121.76 128.41 1o5p s ALA 46 Ca 0.03 -1.65 0.07 0.00 0.00 0.00 0.00 51.96 50.41 1o5p s ALA 46 Cb -0.20 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 1o5p s ALA 46 CO -0.05 -1.58 0.33 0.00 0.00 0.00 0.00 175.76 174.46 1o5p s ASN 48 N -4.05 4.37 0.00 0.00 2.47 -0.84 -1.17 114.94 115.73 1o5p s ASN 48 Ca 0.43 -0.22 0.00 0.00 0.42 0.00 0.00 52.86 53.50 1o5p s ASN 48 Cb -0.06 -1.60 0.00 0.00 -1.45 0.00 0.00 41.25 38.15 1o5p s ASN 48 CO 0.27 0.19 0.41 -0.81 -3.72 0.00 0.00 177.10 173.45 1o5p n PRO 49 N 3.34 0.65 -0.05 0.43 -0.05 -1.26 -3.02 135.00 135.04 1o5p n PRO 49 Ca -0.18 0.00 0.06 0.00 -0.05 0.00 0.00 63.50 63.33 1o5p n PRO 49 Cb 0.53 -1.29 0.08 0.00 -0.05 0.00 0.00 33.50 32.77 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 0.30 2.40 -1.48 0.55 0.00 -1.26 -4.39 120.51 116.63 1o5p n ALA 50 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1o5p n ALA 50 Cb 0.21 -0.42 0.01 0.00 0.00 0.00 0.00 19.45 19.24 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 0.65 0.16 -4.56 0.00 5.75 -1.17 -2.19 116.55 115.20 1o5p n ASP 51 Ca 0.09 -1.63 -0.40 0.00 -0.01 0.00 0.00 54.79 52.83 1o5p n ASP 51 Cb 0.34 -0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.28 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 -0.15 2.40 0.00 2.11 0.40 -1.25 -3.25 117.98 118.23 1o5p s PHE 52 Ca 0.01 -0.51 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 1o5p s PHE 52 Cb 0.01 -4.63 0.00 0.00 0.51 0.00 0.00 43.02 38.91 1o5p s PHE 52 CO 0.00 -1.98 0.00 0.43 0.70 0.00 0.00 175.22 174.37 1o5p n SER 53 N 9.38 1.19 0.00 1.36 7.64 0.56 -4.93 113.62 128.83 1o5p n SER 53 Ca 0.25 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 59.35 1o5p n SER 53 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 -1.41 0.00 -3.66 6.43 2.88 -1.26 -2.12 113.62 114.48 1o5p n SER 54 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1o5p n SER 54 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 -0.65 0.07 0.01 2.46 0.11 -0.72 -4.96 120.40 116.72 1o5p s VAL 55 Ca 0.00 -0.55 -0.05 0.00 -2.93 0.00 0.00 61.98 58.45 1o5p s VAL 55 Cb 0.00 -1.07 -0.05 0.00 -1.53 0.00 0.00 36.38 33.73 1o5p s VAL 55 CO 0.00 -0.30 0.25 -0.89 -3.33 0.00 0.00 175.10 170.83 1o5p s THR 56 N -3.18 5.33 -0.37 5.04 2.01 -1.26 0.25 115.64 123.46 1o5p s THR 56 Ca -0.01 0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.77 1o5p s THR 56 Cb 0.01 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 1o5p s THR 56 CO -0.07 0.33 1.95 0.00 -0.69 0.00 0.00 174.62 176.13 1o5p s ALA 57 N -1.33 2.60 0.00 7.40 0.00 -1.10 -4.71 121.76 124.62 1o5p s ALA 57 Ca 0.28 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.42 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 0.18 -3.06 0.00 -3.47 0.00 0.00 0.00 175.76 169.41 1o5p n ASP 58 N 11.53 0.00 -0.13 0.00 -0.08 -1.26 0.31 116.55 126.92 1o5p n ASP 58 Ca 0.25 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.48 1o5p n ASP 58 Cb 0.48 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.96 1o5p n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1o5p h ALA 59 N -2.00 0.14 0.00 -1.67 0.00 -1.92 -3.09 119.26 110.72 1o5p h ALA 59 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.77 1o5p h ALA 59 Cb 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1o5p h ALA 59 CO 0.00 -0.54 -2.09 0.09 0.00 0.00 0.00 179.25 176.71 1o5p n ASN 60 N -5.37 1.48 0.00 0.00 3.02 -1.26 -4.57 115.26 108.55 1o5p n ASN 60 Ca 0.03 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1o5p n ASN 60 Cb 0.28 0.58 0.00 0.00 -0.61 0.00 0.00 39.78 40.03 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1o5p n GLY 61 N 2.17 0.73 3.58 7.41 0.00 -1.17 -1.98 105.19 115.92 1o5p n GLY 61 Ca -0.28 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.28 5.66 -0.20 1.61 0.01 -1.21 -2.18 113.70 116.10 1o5p s SER 62 Ca 0.00 -0.00 -0.03 0.00 1.31 0.00 0.00 55.95 57.23 1o5p s SER 62 Cb 0.00 -2.01 0.06 0.00 0.21 0.00 0.00 66.02 64.29 1o5p s SER 62 CO 0.00 0.06 0.04 0.00 0.41 0.00 0.00 173.24 173.75 1o5p s ALA 63 N 1.07 1.02 -0.24 1.44 0.00 0.21 -4.62 121.76 120.64 1o5p s ALA 63 Ca 0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 1o5p s ALA 63 Cb -0.14 -1.21 0.03 0.00 0.00 0.00 0.00 23.12 21.80 1o5p s ALA 63 CO 0.04 -1.21 -0.08 -1.12 0.00 0.00 0.00 175.76 173.39 1o5p s SER 64 N 1.85 4.17 -0.01 0.00 0.01 -1.26 0.70 113.70 119.16 1o5p s SER 64 Ca -0.00 -0.86 -0.01 0.00 1.31 0.00 0.00 55.95 56.39 1o5p s SER 64 Cb -0.17 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 64.43 1o5p s SER 64 CO -0.09 -0.11 0.03 0.28 0.41 0.00 0.00 173.24 173.75 1o5p s THR 65 N 1.31 -0.01 -0.16 1.44 -1.32 -0.96 -4.98 115.64 110.96 1o5p s THR 65 Ca 0.00 0.02 -0.10 0.00 -1.21 0.00 0.00 61.69 60.41 1o5p s THR 65 Cb -0.16 -0.05 -0.05 0.00 -1.51 0.00 0.00 72.50 70.73 1o5p s THR 65 CO -0.06 0.01 0.18 -0.94 -2.21 0.00 0.00 174.62 171.60 1o5p s SER 66 N 0.14 6.33 0.20 8.08 1.04 -1.26 -2.05 113.70 126.18 1o5p s SER 66 Ca -0.01 0.39 0.04 0.00 0.48 0.00 0.00 55.95 56.85 1o5p s SER 66 Cb -0.02 -2.11 -0.05 0.00 0.10 0.00 0.00 66.02 63.95 1o5p s SER 66 CO -0.00 0.24 -0.04 -1.48 0.98 0.00 0.00 173.24 172.94 1o5p s LEU 67 N -0.11 2.30 -0.21 2.42 0.05 0.02 -4.91 118.68 118.24 1o5p s LEU 67 Ca 0.12 -1.15 -0.16 0.00 0.05 0.00 0.00 54.13 52.99 1o5p s LEU 67 Cb -0.12 -0.30 -0.04 0.00 -2.05 0.00 0.00 46.19 43.68 1o5p s LEU 67 CO 0.02 -0.45 0.42 0.42 -0.55 0.00 0.00 176.35 176.21 1o5p s THR 68 N -3.38 5.18 0.01 5.48 -4.23 -0.93 0.42 115.64 118.18 1o5p s THR 68 Ca 0.25 0.74 0.02 0.00 -1.18 0.00 0.00 61.69 61.52 1o5p s THR 68 Cb 0.05 -3.75 -0.01 0.00 1.34 0.00 0.00 72.50 70.13 1o5p s THR 68 CO 0.06 0.22 -0.08 0.68 -0.54 0.00 0.00 174.62 174.97 1o5p s VAL 69 N 1.48 0.59 0.02 2.29 -7.23 -0.82 -3.84 120.40 112.90 1o5p s VAL 69 Ca 0.19 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 1o5p s VAL 69 Cb -0.15 -0.54 -0.00 0.00 0.56 0.00 0.00 36.38 36.25 1o5p s VAL 69 CO 0.08 -0.01 0.03 -2.11 -0.31 0.00 0.00 175.10 172.78 1o5p n ARG 70 N 2.42 0.04 0.00 4.82 1.85 -1.26 -4.18 116.66 120.35 1o5p n ARG 70 Ca -0.16 -0.21 0.00 0.00 -1.00 0.00 0.00 57.85 56.48 1o5p n ARG 70 Cb 0.57 0.19 0.00 0.00 -1.05 0.00 0.00 32.46 32.16 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 -0.04 0.00 -1.75 2.89 1.85 -1.26 -4.68 116.66 113.67 1o5p n ARG 71 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.44 1o5p n ARG 71 Cb 0.04 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.44 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 3.69 -3.56 2.89 7.64 -1.26 -1.93 113.62 121.09 1o5p n SER 72 Ca 0.00 1.20 -0.14 0.00 1.01 0.00 0.00 58.87 60.93 1o5p n SER 72 Cb 0.00 -1.59 -0.05 0.00 -1.01 0.00 0.00 64.21 61.55 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 -0.69 -0.46 -0.22 1.43 -0.12 -0.71 -4.83 117.98 112.38 1o5p s PHE 73 Ca 0.58 0.56 -0.40 0.00 -0.05 0.00 0.00 56.93 57.62 1o5p s PHE 73 Cb -0.50 0.36 -0.16 0.00 -0.63 0.00 0.00 43.02 42.09 1o5p s PHE 73 CO 0.58 -0.64 1.65 0.39 -0.05 0.00 0.00 175.22 177.15 1o5p n GLU 74 N 0.47 1.09 -1.38 1.99 -0.58 -1.26 -0.19 120.64 120.79 1o5p n GLU 74 Ca -0.18 0.40 -0.24 0.00 -0.42 0.00 0.00 57.16 56.71 1o5p n GLU 74 Cb 0.60 -2.06 -0.07 0.00 -0.57 0.00 0.00 31.44 29.33 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 3.84 4.12 3.41 0.62 0.00 -0.29 -3.14 105.19 113.76 1o5p n GLY 75 Ca 0.25 -1.73 -0.62 0.00 0.00 0.00 0.00 46.02 43.92 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 1.10 1.37 -3.04 1.61 3.01 -0.31 -2.16 117.46 119.03 1o5p n PHE 76 Ca 0.47 0.87 -0.40 0.00 1.01 0.00 0.00 57.45 59.39 1o5p n PHE 76 Cb 0.61 -2.28 -0.05 0.00 -0.01 0.00 0.00 39.48 37.75 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 5.09 4.24 -0.26 4.37 2.96 -0.75 -1.92 118.68 132.42 1o5p s LEU 77 Ca 1.15 1.09 -0.02 0.00 -0.22 0.00 0.00 54.13 56.13 1o5p s LEU 77 Cb -1.48 -3.06 -0.02 0.00 0.50 0.00 0.00 46.19 42.14 1o5p s LEU 77 CO 0.70 -0.21 1.33 0.33 -1.32 0.00 0.00 176.35 177.19 1o5p n PHE 78 N 4.39 0.39 -1.96 5.38 7.35 -1.22 -2.87 117.46 128.91 1o5p n PHE 78 Ca -0.00 -0.88 0.00 0.00 -0.76 0.00 0.00 57.45 55.81 1o5p n PHE 78 Cb 0.50 -0.91 0.00 0.00 0.35 0.00 0.00 39.48 39.42 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 4.43 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.53 1o5p n ASP 79 Ca 0.14 -0.96 0.00 0.00 -1.51 0.00 0.00 54.79 52.46 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 2.83 3.92 0.27 0.00 -1.14 -4.99 105.19 106.09 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 -0.16 2.61 -4.23 -1.26 -4.97 115.64 111.65 1o5p s THR 81 Ca 0.00 -0.22 -0.06 0.00 -1.18 0.00 0.00 61.69 60.22 1o5p s THR 81 Cb 0.00 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 1o5p s THR 81 CO 0.00 -0.47 0.06 0.00 -0.54 0.00 0.00 174.62 173.67 1o5p s ARG 82 N -4.00 3.76 0.35 3.99 1.70 -1.26 -1.80 118.95 121.69 1o5p s ARG 82 Ca 0.42 -0.33 0.24 0.00 -0.47 0.00 0.00 55.73 55.58 1o5p s ARG 82 Cb -0.10 -3.14 0.43 0.00 -0.57 0.00 0.00 34.95 31.57 1o5p s ARG 82 CO 0.34 0.40 1.59 2.35 -1.08 0.00 0.00 175.30 178.90 1o5p h TRP 83 N 6.24 0.00 0.00 5.89 7.01 -1.76 -3.46 115.95 129.87 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 1.18 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.24 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 1.17 1.51 3.59 2.65 0.00 -1.26 -4.90 105.19 107.94 1o5p n GLY 84 Ca 0.04 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.58 3.19 -0.61 2.61 -4.23 -1.26 -1.14 115.64 112.61 1o5p s THR 85 Ca 0.00 0.18 -0.28 0.00 -1.18 0.00 0.00 61.69 60.41 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 1.22 -0.69 -0.54 0.00 0.00 174.62 174.41 1o5p s VAL 86 N 8.43 3.94 -0.31 2.29 1.01 0.74 -4.68 120.40 131.82 1o5p s VAL 86 Ca 0.91 0.79 -0.28 0.00 0.00 0.00 0.00 61.98 63.40 1o5p s VAL 86 Cb -0.26 -4.76 -0.03 0.00 0.00 0.00 0.00 36.38 31.33 1o5p s VAL 86 CO 0.32 -1.45 1.97 -1.81 0.00 0.00 0.00 175.10 174.14 1o5p s ASP 87 N 3.20 5.66 0.00 3.32 1.01 -1.26 -1.74 116.67 126.86 1o5p s ASP 87 Ca 0.42 1.46 0.03 0.00 0.71 0.00 0.00 52.55 55.17 1o5p s ASP 87 Cb -0.08 -2.52 0.17 0.00 1.01 0.00 0.00 42.92 41.50 1o5p s ASP 87 CO 0.23 -1.87 0.85 0.00 0.21 0.00 0.00 175.17 174.59 1o5p n THR 89 N -1.20 0.30 -0.02 0.00 -2.24 -1.26 -4.25 114.28 105.60 1o5p n THR 89 Ca 0.02 -0.43 -0.04 0.00 -2.27 0.00 0.00 64.05 61.32 1o5p n THR 89 Cb 0.02 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.21 -3.46 4.28 -2.24 -0.14 -5.07 114.28 108.41 1o5p n THR 90 Ca 0.16 -0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.66 1o5p n THR 90 Cb 0.37 -1.53 0.03 0.00 -2.10 0.00 0.00 70.33 67.10 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 -2.07 4.58 -0.37 6.98 0.00 -1.21 -5.08 121.76 124.58 1o5p s ALA 91 Ca -0.05 -1.71 -0.14 0.00 0.00 0.00 0.00 51.96 50.06 1o5p s ALA 91 Cb 0.02 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1o5p s ALA 91 CO 0.07 -0.66 0.26 0.00 0.00 0.00 0.00 175.76 175.44 1o5p s ALA 92 N -2.72 3.47 -0.25 0.00 0.00 -1.26 -4.76 121.76 116.23 1o5p s ALA 92 Ca 0.48 -1.56 -0.14 0.00 0.00 0.00 0.00 51.96 50.74 1o5p s ALA 92 Cb -0.04 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1o5p s ALA 92 CO 0.30 -1.23 0.32 0.00 0.00 0.00 0.00 175.76 175.15 1o5p s GLN 94 N 1.74 3.20 -0.39 0.00 -0.21 -0.70 -2.50 119.66 120.80 1o5p s GLN 94 Ca 0.13 -0.48 -0.12 0.00 0.02 0.00 0.00 55.36 54.92 1o5p s GLN 94 Cb -0.15 -2.93 0.03 0.00 1.00 0.00 0.00 33.01 30.96 1o5p s GLN 94 CO 0.09 0.63 0.24 0.08 -2.12 0.00 0.00 175.29 174.21 1o5p s VAL 95 N -1.33 4.74 0.05 1.09 1.01 0.14 -2.22 120.40 123.87 1o5p s VAL 95 Ca 0.28 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 1o5p s VAL 95 Cb -0.12 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1o5p s VAL 95 CO 0.20 -0.29 0.07 0.61 0.00 0.00 0.00 175.10 175.68 1o5p n GLY 96 N 5.04 3.05 3.16 4.51 0.00 -1.05 0.35 105.19 120.24 1o5p n GLY 96 Ca -0.11 -1.43 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.57 0.99 4.32 -1.24 -2.14 117.00 115.36 1o5p n LEU 97 Ca 0.00 -2.59 0.03 0.00 -0.02 0.00 0.00 56.01 53.43 1o5p n LEU 97 Cb 0.08 0.15 -0.00 0.00 -1.62 0.00 0.00 43.42 42.03 1o5p n LEU 97 CO 0.04 -0.45 1.18 -0.94 -1.22 0.00 0.00 177.39 176.00 1o5p s SER 98 N -3.54 -0.02 0.00 -1.43 1.04 -0.16 -4.38 113.70 105.21 1o5p s SER 98 Ca 0.12 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1o5p s SER 98 Cb -0.01 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1o5p s SER 98 CO 0.07 -0.08 0.00 -0.90 0.98 0.00 0.00 173.24 173.32 1o5p n ASP 99 N -0.46 1.37 -1.60 7.02 5.75 -1.24 0.26 116.55 127.65 1o5p n ASP 99 Ca -0.09 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.54 1o5p n ASP 99 Cb 0.63 0.00 0.10 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 4.76 -0.03 2.12 0.00 -1.26 -4.61 120.51 118.49 1o5p n ALA 100 Ca 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 53.44 49.87 1o5p n ALA 100 Cb 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.90 1.85 0.00 0.00 0.00 -1.26 -5.01 120.51 115.19 1o5p n ALA 101 Ca 0.39 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1o5p n ALA 101 Cb 0.90 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.54 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 2.80 1.15 3.02 0.00 0.00 -1.26 -5.13 105.19 105.77 1o5p n GLY 102 Ca -0.10 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.79 -0.25 1.61 5.03 -1.26 -4.99 115.26 113.61 1o5p n ASN 103 Ca 0.00 -2.21 0.00 0.00 0.87 0.00 0.00 54.58 53.24 1o5p n ASN 103 Cb 0.00 2.97 0.00 0.00 -1.02 0.00 0.00 39.78 41.73 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 1.96 3.03 7.41 0.00 -1.26 -3.71 105.19 112.18 1o5p n GLY 104 Ca -0.06 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.12 -2.29 1.61 -0.02 -1.26 -4.89 135.00 127.03 1o5p n PRO 105 Ca 0.00 -0.33 -0.22 0.00 -2.02 0.00 0.00 63.50 60.94 1o5p n PRO 105 Cb 0.00 -1.32 0.12 0.00 -0.02 0.00 0.00 33.50 32.29 1o5p n PRO 105 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1o5p n GLU 106 N -0.04 -0.23 -4.50 -0.52 1.02 -1.26 -4.54 120.64 110.58 1o5p n GLU 106 Ca 0.01 -2.38 -0.26 0.00 -0.02 0.00 0.00 57.16 54.51 1o5p n GLU 106 Cb 0.47 -0.71 -0.10 0.00 -0.02 0.00 0.00 31.44 31.08 1o5p n GLU 106 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1o5p s GLY 107 N -4.99 2.25 -0.16 0.62 0.00 -1.26 -3.64 107.32 100.14 1o5p s GLY 107 Ca 0.62 -2.12 -0.05 0.00 0.00 0.00 0.00 44.72 43.16 1o5p s GLY 107 CO 0.41 -2.02 0.03 0.14 0.00 0.00 0.00 173.10 171.66 1o5p s VAL 108 N -2.61 4.48 -0.09 1.40 1.01 0.15 -4.75 120.40 120.00 1o5p s VAL 108 Ca 0.34 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 1o5p s VAL 108 Cb 0.04 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1o5p s VAL 108 CO 0.18 0.50 1.38 0.00 0.00 0.00 0.00 175.10 177.15 1o5p s ALA 109 N 0.13 3.61 0.52 5.51 0.00 -1.26 0.24 121.76 130.51 1o5p s ALA 109 Ca 0.03 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.74 1o5p s ALA 109 Cb -0.13 -3.63 0.05 0.00 0.00 0.00 0.00 23.12 19.41 1o5p s ALA 109 CO 0.01 -1.11 0.71 0.96 0.00 0.00 0.00 175.76 176.34 1o5p s ILE 110 N 3.19 2.61 0.06 0.00 -4.36 -1.04 -4.84 121.20 116.82 1o5p s ILE 110 Ca 0.61 -0.90 -0.02 0.00 -0.26 0.00 0.00 60.65 60.08 1o5p s ILE 110 Cb -0.27 -2.71 -0.03 0.00 1.25 0.00 0.00 42.46 40.70 1o5p s ILE 110 CO 0.22 0.00 0.01 -0.44 0.24 0.00 0.00 174.94 174.97 1o5p s SER 111 N -4.49 0.41 -0.31 4.36 0.01 0.18 -4.74 113.70 109.11 1o5p s SER 111 Ca 0.58 -0.91 -0.02 0.00 1.31 0.00 0.00 55.95 56.92 1o5p s SER 111 Cb -0.08 0.22 0.11 0.00 0.21 0.00 0.00 66.02 66.47 1o5p s SER 111 CO 0.37 -0.61 0.13 -0.36 0.41 0.00 0.00 173.24 173.18 1o5p s PHE 112 N -3.80 1.04 -2.00 2.43 0.08 -1.26 -3.06 117.98 111.41 1o5p s PHE 112 Ca 0.06 -1.40 0.29 0.00 0.12 0.00 0.00 56.93 55.99 1o5p s PHE 112 Cb 0.07 -1.31 1.73 0.00 -0.57 0.00 0.00 43.02 42.93 1o5p s PHE 112 CO -0.10 -0.85 2.06 0.27 -0.10 0.00 0.00 175.22 176.51