#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 2.91 0.86 0.00 0.00 -1.26 -5.08 121.76 119.18 1o5p s ALA 2 Ca 0.00 -2.01 -0.12 0.00 0.00 0.00 0.00 51.96 49.82 1o5p s ALA 2 Cb 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 23.12 23.08 1o5p s ALA 2 CO 0.00 0.15 1.07 -2.30 0.00 0.00 0.00 175.76 174.68 1o5p n PRO 3 N -0.75 -0.09 -4.07 0.00 -0.02 0.49 -4.66 135.00 125.90 1o5p n PRO 3 Ca -0.05 0.05 -0.07 0.00 -2.02 0.00 0.00 63.50 61.40 1o5p n PRO 3 Cb 0.62 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.21 -0.15 3.45 -4.23 1.17 -4.88 115.64 108.88 1o5p s THR 4 Ca 0.69 -1.75 -0.06 0.00 -1.18 0.00 0.00 61.69 59.39 1o5p s THR 4 Cb -0.26 -1.52 0.07 0.00 1.34 0.00 0.00 72.50 72.12 1o5p s THR 4 CO 0.55 -0.95 0.32 0.00 -0.54 0.00 0.00 174.62 174.00 1o5p s ALA 5 N -3.92 -0.77 -0.30 3.99 0.00 -1.26 0.26 121.76 119.77 1o5p s ALA 5 Ca 0.07 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 1o5p s ALA 5 Cb 0.08 -1.02 0.06 0.00 0.00 0.00 0.00 23.12 22.23 1o5p s ALA 5 CO -0.10 -0.55 -0.01 -0.08 0.00 0.00 0.00 175.76 175.03 1o5p s THR 6 N 2.15 2.82 -0.09 0.00 -1.32 -0.37 -4.86 115.64 113.96 1o5p s THR 6 Ca -0.03 -1.51 0.02 0.00 -1.21 0.00 0.00 61.69 58.97 1o5p s THR 6 Cb -0.11 -2.67 -0.02 0.00 -1.51 0.00 0.00 72.50 68.20 1o5p s THR 6 CO -0.10 -0.15 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.31 1o5p s VAL 7 N 1.20 2.80 -0.15 5.08 1.01 -1.26 -0.34 120.40 128.75 1o5p s VAL 7 Ca -0.05 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 1o5p s VAL 7 Cb -0.20 -2.12 0.12 0.00 0.00 0.00 0.00 36.38 34.18 1o5p s VAL 7 CO -0.02 0.55 0.98 -0.89 0.00 0.00 0.00 175.10 175.72 1o5p s THR 8 N -0.04 0.00 0.46 3.92 2.01 -0.14 -4.43 115.64 117.42 1o5p s THR 8 Ca -0.04 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.75 1o5p s THR 8 Cb -0.14 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.27 1o5p s THR 8 CO 0.04 0.00 0.98 -2.16 -0.69 0.00 0.00 174.62 172.80 1o5p s PRO 9 N -1.24 4.04 0.08 4.92 0.05 -1.26 -0.35 135.00 141.24 1o5p s PRO 9 Ca -0.02 1.20 0.18 0.00 0.05 0.00 0.00 61.00 62.41 1o5p s PRO 9 Cb -0.00 -2.14 -0.12 0.00 0.05 0.00 0.00 34.50 32.28 1o5p s PRO 9 CO 0.01 -0.20 0.84 -1.13 0.05 0.00 0.00 177.00 176.57 1o5p n SER 10 N -0.84 0.84 -4.28 6.66 3.41 -1.26 -4.77 113.62 113.38 1o5p n SER 10 Ca 0.08 0.36 -0.15 0.00 -0.26 0.00 0.00 58.87 58.90 1o5p n SER 10 Cb 0.53 0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 64.62 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 -5.70 1.86 -0.18 4.04 0.01 -1.26 0.43 113.70 112.90 1o5p s SER 11 Ca -0.03 -1.08 -0.01 0.00 1.31 0.00 0.00 55.95 56.15 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 0.81 -0.38 0.12 0.61 0.41 0.00 0.00 173.24 174.82 1o5p n GLY 12 N -0.28 0.67 0.13 3.44 0.00 -1.15 -4.90 105.19 103.10 1o5p n GLY 12 Ca -0.08 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.95 2.44 -1.01 0.99 4.77 -1.26 -5.06 117.00 116.92 1o5p n LEU 13 Ca -0.00 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1o5p n LEU 13 Cb 0.51 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1o5p n LEU 13 CO 0.07 0.70 -0.30 -0.24 -1.33 0.00 0.00 177.39 176.30 1o5p n SER 14 N -3.76 -5.62 -4.47 -1.43 2.88 -1.26 -3.85 113.62 96.10 1o5p n SER 14 Ca -0.38 0.98 -0.46 0.00 -1.33 0.00 0.00 58.87 57.68 1o5p n SER 14 Cb 0.93 -2.78 -0.08 0.00 -0.75 0.00 0.00 64.21 61.53 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 -1.53 1.77 0.00 -3.46 5.75 -1.26 -1.97 116.55 115.85 1o5p n ASP 15 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 1o5p n ASP 15 Cb 0.14 -1.25 0.00 0.00 -1.03 0.00 0.00 41.12 38.98 1o5p n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1o5p n GLY 16 N 6.47 1.53 1.70 6.12 0.00 -1.26 -5.06 105.19 114.69 1o5p n GLY 16 Ca 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.63 0.00 -4.83 2.61 5.66 -0.83 -4.97 114.28 111.29 1o5p n THR 17 Ca 0.00 -0.91 -0.25 0.00 -3.05 0.00 0.00 64.05 59.83 1o5p n THR 17 Cb 0.00 -0.52 -0.16 0.00 -1.55 0.00 0.00 70.33 68.11 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 -0.92 1.39 0.19 1.08 1.01 -1.26 -2.07 120.40 119.82 1o5p s VAL 18 Ca 0.20 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.54 1o5p s VAL 18 Cb -0.02 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1o5p s VAL 18 CO 0.12 0.40 -0.08 0.68 0.00 0.00 0.00 175.10 176.22 1o5p s VAL 19 N -0.23 3.24 -0.36 2.92 -7.23 0.16 -4.74 120.40 114.16 1o5p s VAL 19 Ca 0.02 -1.67 -0.09 0.00 -1.81 0.00 0.00 61.98 58.43 1o5p s VAL 19 Cb -0.09 -2.62 0.04 0.00 0.56 0.00 0.00 36.38 34.27 1o5p s VAL 19 CO 0.00 -0.14 0.17 -0.75 -0.31 0.00 0.00 175.10 174.08 1o5p s LYS 20 N -2.92 2.72 -0.10 4.82 2.20 0.52 -1.31 119.74 125.67 1o5p s LYS 20 Ca 0.26 -1.15 -0.05 0.00 -0.36 0.00 0.00 55.97 54.66 1o5p s LYS 20 Cb -0.09 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 1o5p s LYS 20 CO 0.16 -0.71 0.11 0.54 -0.36 0.00 0.00 175.35 175.09 1o5p s VAL 21 N 1.48 5.23 0.13 4.02 0.11 -0.89 -0.97 120.40 129.51 1o5p s VAL 21 Ca 0.01 0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.15 1o5p s VAL 21 Cb -0.20 -3.27 -0.04 0.00 -1.53 0.00 0.00 36.38 31.34 1o5p s VAL 21 CO 0.05 0.59 -0.03 0.00 -3.33 0.00 0.00 175.10 172.38 1o5p s ALA 22 N -1.02 1.15 -0.00 1.54 0.00 0.54 -1.84 121.76 122.12 1o5p s ALA 22 Ca 0.16 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.66 1o5p s ALA 22 Cb -0.12 0.35 -0.00 0.00 0.00 0.00 0.00 23.12 23.35 1o5p s ALA 22 CO 0.05 -0.28 -0.02 0.20 0.00 0.00 0.00 175.76 175.71 1o5p s GLY 23 N -3.10 0.11 -0.06 0.00 0.00 0.21 -1.24 107.32 103.24 1o5p s GLY 23 Ca 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 44.72 44.76 1o5p s GLY 23 CO -0.01 -0.10 0.13 0.00 0.00 0.00 0.00 173.10 173.12 1o5p s ALA 24 N -0.09 -0.13 0.00 3.20 0.00 0.74 0.21 121.76 125.68 1o5p s ALA 24 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1o5p s ALA 24 Cb -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1o5p s ALA 24 CO -0.00 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1o5p n GLY 25 N 4.74 1.08 3.97 0.00 0.00 -0.99 0.37 105.19 114.36 1o5p n GLY 25 Ca -0.16 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.90 0.99 1.43 -0.15 -0.38 118.68 122.65 1o5p s LEU 26 Ca 0.00 -0.11 -0.24 0.00 -1.03 0.00 0.00 54.13 52.75 1o5p s LEU 26 Cb 0.00 -2.34 -0.22 0.00 0.03 0.00 0.00 46.19 43.66 1o5p s LEU 26 CO 0.00 -1.79 2.50 0.00 0.23 0.00 0.00 176.35 177.29 1o5p n GLN 27 N -2.86 0.21 -1.02 1.70 3.00 -1.26 -4.12 117.38 113.03 1o5p n GLN 27 Ca 0.13 -0.07 -0.27 0.00 -0.01 0.00 0.00 57.00 56.78 1o5p n GLN 27 Cb 0.60 -1.86 -0.11 0.00 0.00 0.00 0.00 30.24 28.87 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 10.81 0.49 0.00 -1.58 0.00 -1.25 -1.44 120.51 127.54 1o5p n ALA 28 Ca 0.60 -2.31 0.00 0.00 0.00 0.00 0.00 53.44 51.73 1o5p n ALA 28 Cb 0.17 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.37 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 5.41 0.11 3.00 0.00 0.00 1.06 -4.78 105.19 109.98 1o5p n GLY 29 Ca 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.13 -0.51 -0.35 2.61 -1.32 -0.52 -4.89 115.64 110.53 1o5p s THR 30 Ca 0.00 0.09 -0.37 0.00 -1.21 0.00 0.00 61.69 60.20 1o5p s THR 30 Cb 0.00 -0.64 -0.13 0.00 -1.51 0.00 0.00 72.50 70.22 1o5p s THR 30 CO 0.00 -0.02 2.13 0.00 -2.21 0.00 0.00 174.62 174.53 1o5p n ALA 31 N 5.36 0.85 -2.89 11.08 0.00 -1.26 -2.70 120.51 130.95 1o5p n ALA 31 Ca -0.06 0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 1o5p n ALA 31 Cb 0.50 -2.46 -0.04 0.00 0.00 0.00 0.00 19.45 17.45 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 6.71 3.41 0.35 0.00 1.51 0.17 -4.37 117.35 125.13 1o5p s TYR 32 Ca 1.09 0.15 0.06 0.00 -1.01 0.00 0.00 57.07 57.36 1o5p s TYR 32 Cb -0.95 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.21 1o5p s TYR 32 CO 0.53 0.55 0.50 0.34 -1.11 0.00 0.00 175.55 176.36 1o5p s ASP 33 N -2.79 5.95 -0.11 2.29 2.15 0.70 -1.48 116.67 123.39 1o5p s ASP 33 Ca 0.33 -0.11 -0.04 0.00 0.43 0.00 0.00 52.55 53.17 1o5p s ASP 33 Cb -0.12 -1.29 0.06 0.00 -0.30 0.00 0.00 42.92 41.27 1o5p s ASP 33 CO 0.27 -0.47 0.21 0.54 -0.17 0.00 0.00 175.17 175.55 1o5p s VAL 34 N -2.23 -0.34 0.12 1.11 0.11 -0.26 -1.10 120.40 117.81 1o5p s VAL 34 Ca 0.45 0.29 -0.20 0.00 -2.93 0.00 0.00 61.98 59.59 1o5p s VAL 34 Cb -0.10 -0.39 0.07 0.00 -1.53 0.00 0.00 36.38 34.43 1o5p s VAL 34 CO 0.32 0.11 0.96 0.61 -3.33 0.00 0.00 175.10 173.77 1o5p n GLY 35 N 5.34 0.59 3.43 6.54 0.00 -0.92 -0.34 105.19 119.81 1o5p n GLY 35 Ca -0.05 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 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 2.94 0.06 1.61 -2.07 -1.26 -2.60 119.66 116.31 1o5p s GLN 36 Ca 0.22 -1.13 0.05 0.00 -1.82 0.00 0.00 55.36 52.68 1o5p s GLN 36 Cb -0.02 -3.99 -0.03 0.00 -1.09 0.00 0.00 33.01 27.88 1o5p s GLN 36 CO 0.04 -0.83 -0.15 0.00 -1.32 0.00 0.00 175.29 173.03 1o5p s ALA 38 N -1.14 1.81 -0.35 0.00 0.00 -0.82 -1.71 121.76 119.55 1o5p s ALA 38 Ca -0.00 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 1o5p s ALA 38 Cb -0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 1o5p s ALA 38 CO 0.02 0.42 0.44 -1.58 0.00 0.00 0.00 175.76 175.06 1o5p s TRP 39 N -0.39 3.19 -0.90 0.00 0.51 -1.26 -1.92 118.94 118.17 1o5p s TRP 39 Ca 0.05 0.06 0.17 0.00 -2.12 0.00 0.00 56.10 54.26 1o5p s TRP 39 Cb -0.09 -2.81 0.61 0.00 -0.81 0.00 0.00 33.47 30.36 1o5p s TRP 39 CO 0.00 -0.50 1.52 1.33 -0.51 0.00 0.00 176.95 178.79 1o5p n VAL 40 N 5.35 1.78 -1.65 4.03 0.24 -0.90 -4.76 118.33 122.41 1o5p n VAL 40 Ca -0.07 -1.29 0.00 0.00 -2.04 0.00 0.00 64.34 60.94 1o5p n VAL 40 Cb 0.49 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 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 0.70 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 113.14 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 0.42 -0.39 0.00 0.00 177.20 177.23 1o5p s THR 42 N -2.50 3.46 0.00 -3.53 -4.23 -1.26 -2.90 115.64 104.68 1o5p s THR 42 Ca 0.00 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1o5p s THR 42 Cb 0.00 -4.18 0.00 0.00 1.34 0.00 0.00 72.50 69.66 1o5p s THR 42 CO 0.00 -1.14 0.00 0.61 -0.54 0.00 0.00 174.62 173.55 1o5p n GLY 43 N 5.86 0.71 3.11 3.99 0.00 -1.26 -5.05 105.19 112.55 1o5p n GLY 43 Ca 0.21 -0.71 -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 2.70 -0.33 1.61 1.01 -1.14 -4.99 120.40 117.26 1o5p s VAL 44 Ca 0.00 -1.76 0.01 0.00 0.00 0.00 0.00 61.98 60.24 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 0.03 -0.22 0.00 0.00 0.00 175.10 174.62 1o5p s LEU 45 N 1.13 4.37 -0.42 3.92 2.96 -1.26 -2.13 118.68 127.25 1o5p s LEU 45 Ca -0.01 -1.77 -0.16 0.00 -0.22 0.00 0.00 54.13 51.97 1o5p s LEU 45 Cb -0.20 -1.67 0.03 0.00 0.50 0.00 0.00 46.19 44.85 1o5p s LEU 45 CO -0.04 -0.34 0.40 0.00 -1.32 0.00 0.00 176.35 175.04 1o5p s ALA 46 N 1.07 3.45 0.35 5.97 0.00 -0.81 -3.49 121.76 128.31 1o5p s ALA 46 Ca 0.02 -1.63 0.08 0.00 0.00 0.00 0.00 51.96 50.43 1o5p s ALA 46 Cb -0.20 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1o5p s ALA 46 CO -0.05 -1.58 0.28 0.00 0.00 0.00 0.00 175.76 174.42 1o5p s ASN 48 N -4.00 4.15 0.00 0.00 2.47 -0.83 -1.08 114.94 115.65 1o5p s ASN 48 Ca 0.42 -0.32 0.00 0.00 0.42 0.00 0.00 52.86 53.38 1o5p s ASN 48 Cb -0.05 -1.66 0.00 0.00 -1.45 0.00 0.00 41.25 38.10 1o5p s ASN 48 CO 0.26 0.13 0.30 -0.81 -3.72 0.00 0.00 177.10 173.26 1o5p n PRO 49 N 3.78 0.54 0.00 0.43 -0.05 -1.26 -3.08 135.00 135.36 1o5p n PRO 49 Ca -0.18 0.00 0.11 0.00 -0.05 0.00 0.00 63.50 63.38 1o5p n PRO 49 Cb 0.52 -1.26 0.07 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 3.61 -0.86 0.55 0.00 -1.26 -4.16 120.51 118.69 1o5p n ALA 50 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1o5p n ALA 50 Cb 0.15 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.37 0.44 -4.57 0.00 9.92 -1.18 -3.06 116.55 117.74 1o5p n ASP 51 Ca 0.09 -1.30 -0.23 0.00 -0.53 0.00 0.00 54.79 52.82 1o5p n ASP 51 Cb 0.42 -0.02 -0.07 0.00 -0.64 0.00 0.00 41.12 40.81 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 1.66 0.11 1.24 0.40 -1.25 -3.65 117.98 116.24 1o5p s PHE 52 Ca 0.01 1.11 0.01 0.00 -0.60 0.00 0.00 56.93 57.46 1o5p s PHE 52 Cb 0.00 -3.78 0.01 0.00 0.51 0.00 0.00 43.02 39.76 1o5p s PHE 52 CO 0.00 -1.19 0.09 0.43 0.70 0.00 0.00 175.22 175.25 1o5p n SER 53 N 16.08 1.21 0.00 1.36 7.64 0.53 -4.92 113.62 135.52 1o5p n SER 53 Ca 0.43 -1.36 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1o5p n SER 53 Cb 0.46 -0.02 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 -2.10 0.00 -3.97 6.43 2.88 -1.26 -1.11 113.62 114.48 1o5p n SER 54 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1o5p n SER 54 Cb 0.12 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.50 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 -0.47 0.18 0.00 2.46 0.11 -0.55 -4.93 120.40 117.20 1o5p s VAL 55 Ca 0.00 -1.49 -0.06 0.00 -2.93 0.00 0.00 61.98 57.50 1o5p s VAL 55 Cb 0.00 -1.41 -0.05 0.00 -1.53 0.00 0.00 36.38 33.40 1o5p s VAL 55 CO 0.00 -0.82 0.26 -0.89 -3.33 0.00 0.00 175.10 170.32 1o5p s THR 56 N -3.83 5.31 -0.39 5.04 2.01 -1.26 0.43 115.64 122.94 1o5p s THR 56 Ca 0.06 0.16 -0.28 0.00 0.31 0.00 0.00 61.69 61.94 1o5p s THR 56 Cb 0.06 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 1o5p s THR 56 CO -0.10 0.38 1.69 0.00 -0.69 0.00 0.00 174.62 175.89 1o5p s ALA 57 N -1.28 2.83 0.00 7.40 0.00 -1.10 -4.68 121.76 124.93 1o5p s ALA 57 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1o5p s ALA 57 Cb -0.13 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 18.96 1o5p s ALA 57 CO 0.16 -2.73 0.00 -3.47 0.00 0.00 0.00 175.76 169.72 1o5p n ASP 58 N 10.15 0.00 -0.10 0.00 2.03 -1.26 0.34 116.55 127.71 1o5p n ASP 58 Ca 0.20 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.45 1o5p n ASP 58 Cb 0.48 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.88 1o5p n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1o5p h ALA 59 N -2.00 0.00 0.00 -1.67 0.00 -1.93 -3.04 119.26 110.62 1o5p h ALA 59 Ca 0.00 0.12 -0.35 0.00 0.00 0.00 0.00 54.91 54.68 1o5p h ALA 59 Cb 0.00 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1o5p h ALA 59 CO 0.00 -0.61 -2.32 0.09 0.00 0.00 0.00 179.25 176.42 1o5p n ASN 60 N -5.38 0.75 0.00 0.00 3.02 -1.26 -4.54 115.26 107.85 1o5p n ASN 60 Ca 0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1o5p n ASN 60 Cb 0.29 0.65 0.00 0.00 -0.61 0.00 0.00 39.78 40.12 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 1.95 0.82 3.76 7.41 0.00 -1.15 -0.98 105.19 117.01 1o5p n GLY 61 Ca -0.34 -0.75 -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 -0.56 0.00 0.00 0.00 173.32 172.76 1o5p s SER 62 N -1.97 6.33 -0.21 1.61 0.01 -1.25 -2.35 113.70 115.87 1o5p s SER 62 Ca 0.00 0.39 -0.02 0.00 1.31 0.00 0.00 55.95 57.62 1o5p s SER 62 Cb 0.00 -2.12 0.06 0.00 0.21 0.00 0.00 66.02 64.17 1o5p s SER 62 CO 0.00 0.21 0.03 0.00 0.41 0.00 0.00 173.24 173.89 1o5p s ALA 63 N 0.05 1.14 -0.20 1.44 0.00 0.13 -4.68 121.76 119.64 1o5p s ALA 63 Ca 0.12 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1o5p s ALA 63 Cb -0.12 -1.24 0.04 0.00 0.00 0.00 0.00 23.12 21.80 1o5p s ALA 63 CO 0.01 -1.21 -0.13 -1.12 0.00 0.00 0.00 175.76 173.31 1o5p s SER 64 N 1.79 3.44 -0.06 0.00 0.01 -1.26 0.66 113.70 118.28 1o5p s SER 64 Ca -0.01 -0.88 -0.09 0.00 1.31 0.00 0.00 55.95 56.28 1o5p s SER 64 Cb -0.17 -1.34 0.02 0.00 0.21 0.00 0.00 66.02 64.73 1o5p s SER 64 CO -0.09 -0.11 0.23 0.28 0.41 0.00 0.00 173.24 173.96 1o5p s THR 65 N 1.33 0.02 -0.06 1.44 -1.32 -0.77 -5.02 115.64 111.26 1o5p s THR 65 Ca -0.00 -0.20 -0.06 0.00 -1.21 0.00 0.00 61.69 60.21 1o5p s THR 65 Cb -0.16 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.39 1o5p s THR 65 CO -0.09 -0.11 0.19 -0.94 -2.21 0.00 0.00 174.62 171.46 1o5p s SER 66 N -0.37 6.43 0.23 8.08 1.04 -1.26 -2.10 113.70 125.74 1o5p s SER 66 Ca -0.05 0.48 -0.05 0.00 0.48 0.00 0.00 55.95 56.82 1o5p s SER 66 Cb -0.03 -2.07 -0.03 0.00 0.10 0.00 0.00 66.02 63.99 1o5p s SER 66 CO 0.01 0.34 0.27 -1.48 0.98 0.00 0.00 173.24 173.36 1o5p s LEU 67 N -1.39 0.87 -0.22 2.42 0.05 -0.43 -4.95 118.68 115.02 1o5p s LEU 67 Ca 0.21 -1.24 -0.08 0.00 0.05 0.00 0.00 54.13 53.07 1o5p s LEU 67 Cb -0.13 0.92 -0.04 0.00 -2.05 0.00 0.00 46.19 44.90 1o5p s LEU 67 CO 0.10 -0.97 0.08 0.42 -0.55 0.00 0.00 176.35 175.43 1o5p s THR 68 N -4.04 4.64 0.01 5.48 -4.23 -1.17 0.39 115.64 116.72 1o5p s THR 68 Ca 0.33 -0.07 0.03 0.00 -1.18 0.00 0.00 61.69 60.80 1o5p s THR 68 Cb 0.04 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 1o5p s THR 68 CO 0.12 0.38 -0.11 0.68 -0.54 0.00 0.00 174.62 175.15 1o5p s VAL 69 N 1.10 0.84 0.09 2.29 -7.23 -0.88 -4.26 120.40 112.36 1o5p s VAL 69 Ca 0.05 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 1o5p s VAL 69 Cb -0.14 -0.75 -0.00 0.00 0.56 0.00 0.00 36.38 36.05 1o5p s VAL 69 CO 0.03 0.08 0.11 -2.11 -0.31 0.00 0.00 175.10 172.90 1o5p n ARG 70 N 2.38 0.16 0.00 4.82 1.85 -1.26 -4.23 116.66 120.38 1o5p n ARG 70 Ca -0.16 -0.78 0.00 0.00 -1.00 0.00 0.00 57.85 55.91 1o5p n ARG 70 Cb 0.56 0.71 0.00 0.00 -1.05 0.00 0.00 32.46 32.67 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 -0.16 0.00 -1.73 2.89 0.00 -1.26 -4.61 116.66 111.79 1o5p n ARG 71 Ca 0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.45 1o5p n ARG 71 Cb 0.15 -0.08 0.00 0.00 -0.00 0.00 0.00 32.46 32.54 1o5p n ARG 71 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1o5p n SER 72 N 0.00 3.09 -3.64 2.89 7.64 -1.26 -1.79 113.62 120.56 1o5p n SER 72 Ca 0.00 1.17 -0.10 0.00 1.01 0.00 0.00 58.87 60.95 1o5p n SER 72 Cb 0.00 -1.55 -0.07 0.00 -1.01 0.00 0.00 64.21 61.58 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 -1.15 -0.84 -0.26 1.43 -0.71 -0.64 -4.82 117.98 111.00 1o5p s PHE 73 Ca 0.57 1.85 -0.28 0.00 -1.04 0.00 0.00 56.93 58.03 1o5p s PHE 73 Cb -0.50 0.42 -0.12 0.00 -1.21 0.00 0.00 43.02 41.61 1o5p s PHE 73 CO 0.61 -0.41 0.92 0.39 -1.34 0.00 0.00 175.22 175.39 1o5p n GLU 74 N 3.32 0.00 -1.24 1.99 -0.58 -1.26 -1.67 120.64 121.20 1o5p n GLU 74 Ca -0.16 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.35 1o5p n GLU 74 Cb 0.57 -0.91 -0.01 0.00 -0.57 0.00 0.00 31.44 30.52 1o5p n GLU 74 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1o5p n GLY 75 N 2.19 4.30 3.08 0.62 0.00 -0.31 -2.92 105.19 112.14 1o5p n GLY 75 Ca 0.18 -1.58 -0.56 0.00 0.00 0.00 0.00 46.02 44.06 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 0.60 1.23 -2.98 1.61 3.01 -0.24 -2.18 117.46 118.51 1o5p n PHE 76 Ca 0.42 0.81 -0.40 0.00 1.01 0.00 0.00 57.45 59.28 1o5p n PHE 76 Cb 0.57 -2.04 -0.05 0.00 -0.01 0.00 0.00 39.48 37.96 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 4.43 4.24 -0.26 4.37 2.96 -0.63 -1.94 118.68 131.85 1o5p s LEU 77 Ca 1.03 1.15 -0.02 0.00 -0.22 0.00 0.00 54.13 56.07 1o5p s LEU 77 Cb -1.35 -3.13 -0.02 0.00 0.50 0.00 0.00 46.19 42.19 1o5p s LEU 77 CO 0.64 -0.25 1.34 0.33 -1.32 0.00 0.00 176.35 177.09 1o5p n PHE 78 N 4.53 0.39 -1.93 5.38 7.35 -1.23 -2.88 117.46 129.07 1o5p n PHE 78 Ca 0.01 -0.88 -0.00 0.00 -0.76 0.00 0.00 57.45 55.82 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 4.40 -0.01 0.00 -2.13 2.03 -1.26 -4.98 116.55 114.60 1o5p n ASP 79 Ca 0.14 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.51 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 2.73 3.93 0.27 0.00 -1.14 -4.99 105.19 106.00 1o5p n GLY 80 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.97 5.08 -0.09 2.61 -4.23 -1.26 -4.96 115.64 111.82 1o5p s THR 81 Ca 0.00 -0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 60.15 1o5p s THR 81 Cb 0.00 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 1o5p s THR 81 CO 0.00 -0.56 0.00 0.00 -0.54 0.00 0.00 174.62 173.53 1o5p s ARG 82 N -4.26 3.07 0.30 3.99 1.70 -1.26 -1.60 118.95 120.89 1o5p s ARG 82 Ca 0.41 -0.41 0.23 0.00 -0.47 0.00 0.00 55.73 55.50 1o5p s ARG 82 Cb -0.10 -2.82 0.23 0.00 -0.57 0.00 0.00 34.95 31.69 1o5p s ARG 82 CO 0.36 0.66 1.36 2.35 -1.08 0.00 0.00 175.30 178.96 1o5p h TRP 83 N 5.30 0.00 0.00 5.89 7.01 -1.76 -3.45 115.95 128.94 1o5p h TRP 83 Ca -0.49 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.51 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 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.69 1o5p n GLY 84 N 1.17 1.64 3.58 2.65 0.00 -1.26 -4.91 105.19 108.05 1o5p n GLY 84 Ca 0.02 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.59 3.25 -0.55 2.61 -4.23 -1.26 -1.16 115.64 112.71 1o5p s THR 85 Ca 0.00 0.23 -0.28 0.00 -1.18 0.00 0.00 61.69 60.46 1o5p s THR 85 Cb 0.00 -3.42 0.02 0.00 1.34 0.00 0.00 72.50 70.43 1o5p s THR 85 CO 0.00 -0.33 1.36 -0.69 -0.54 0.00 0.00 174.62 174.43 1o5p s VAL 86 N 8.60 3.85 -0.26 2.29 1.01 -0.67 -4.69 120.40 130.53 1o5p s VAL 86 Ca 0.86 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 63.31 1o5p s VAL 86 Cb -0.22 -4.48 -0.03 0.00 0.00 0.00 0.00 36.38 31.65 1o5p s VAL 86 CO 0.30 -1.16 1.86 -1.81 0.00 0.00 0.00 175.10 174.28 1o5p s ASP 87 N 4.04 5.93 0.00 3.32 1.01 -1.26 -1.62 116.67 128.09 1o5p s ASP 87 Ca 0.51 1.56 0.05 0.00 0.71 0.00 0.00 52.55 55.39 1o5p s ASP 87 Cb -0.10 -2.52 0.27 0.00 1.01 0.00 0.00 42.92 41.58 1o5p s ASP 87 CO 0.26 -1.63 1.00 0.00 0.21 0.00 0.00 175.17 175.01 1o5p n THR 89 N -1.28 0.00 -0.06 0.00 -2.24 -1.26 -4.13 114.28 105.32 1o5p n THR 89 Ca 0.03 -0.14 -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 -0.43 0.68 -3.48 4.28 -2.24 -0.08 -5.06 114.28 107.95 1o5p n THR 90 Ca 0.19 -0.16 -0.21 0.00 -2.27 0.00 0.00 64.05 61.60 1o5p n THR 90 Cb 0.28 -1.67 0.03 0.00 -2.10 0.00 0.00 70.33 66.87 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 -3.55 0.93 -2.93 6.98 0.00 -1.19 -5.09 120.51 115.67 1o5p n ALA 91 Ca -0.23 -1.96 -0.38 0.00 0.00 0.00 0.00 53.44 50.86 1o5p n ALA 91 Cb 0.66 0.69 -0.12 0.00 0.00 0.00 0.00 19.45 20.68 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 -2.68 3.24 -0.24 0.00 0.00 -1.26 -4.72 121.76 116.10 1o5p s ALA 92 Ca 0.41 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 1o5p s ALA 92 Cb -0.03 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 1o5p s ALA 92 CO 0.26 -0.90 0.30 0.00 0.00 0.00 0.00 175.76 175.42 1o5p s GLN 94 N 1.52 3.11 -0.38 0.00 -0.21 -0.69 -2.55 119.66 120.46 1o5p s GLN 94 Ca 0.13 -0.50 -0.12 0.00 0.02 0.00 0.00 55.36 54.89 1o5p s GLN 94 Cb -0.15 -2.88 0.02 0.00 1.00 0.00 0.00 33.01 31.01 1o5p s GLN 94 CO 0.08 0.63 0.22 0.08 -2.12 0.00 0.00 175.29 174.18 1o5p s VAL 95 N -1.28 4.71 0.01 1.09 1.01 0.11 -2.22 120.40 123.82 1o5p s VAL 95 Ca 0.26 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 1o5p s VAL 95 Cb -0.12 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1o5p s VAL 95 CO 0.18 -0.23 0.01 0.61 0.00 0.00 0.00 175.10 175.67 1o5p n GLY 96 N 5.03 3.02 3.49 4.51 0.00 -1.07 0.27 105.19 120.44 1o5p n GLY 96 Ca -0.12 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.24 -2.17 117.00 115.24 1o5p n LEU 97 Ca -0.00 -2.86 -0.02 0.00 -0.02 0.00 0.00 56.01 53.11 1o5p n LEU 97 Cb 0.01 0.17 -0.01 0.00 -1.62 0.00 0.00 43.42 41.97 1o5p n LEU 97 CO 0.01 -0.49 0.89 -0.94 -1.22 0.00 0.00 177.39 175.64 1o5p s SER 98 N -3.81 -0.14 0.00 -1.43 1.04 -0.26 -4.32 113.70 104.78 1o5p s SER 98 Ca 0.13 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1o5p s SER 98 Cb -0.01 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1o5p s SER 98 CO 0.08 -0.55 0.00 -0.90 0.98 0.00 0.00 173.24 172.86 1o5p n ASP 99 N -0.42 1.12 -1.52 7.02 5.75 -1.23 0.25 116.55 127.52 1o5p n ASP 99 Ca -0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.59 1o5p n ASP 99 Cb 0.61 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.79 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 4.46 -0.01 2.12 0.00 -1.26 -4.67 120.51 118.15 1o5p n ALA 100 Ca 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 53.44 49.85 1o5p n ALA 100 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.84 1.97 0.00 0.00 0.00 -1.26 -5.02 120.51 115.36 1o5p n ALA 101 Ca 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1o5p n ALA 101 Cb 0.87 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.61 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 3.07 0.98 3.07 0.00 0.00 -1.26 -5.14 105.19 105.91 1o5p n GLY 102 Ca -0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.86 -0.13 1.61 5.03 -1.26 -4.99 115.26 113.67 1o5p n ASN 103 Ca 0.00 -2.27 0.00 0.00 0.87 0.00 0.00 54.58 53.18 1o5p n ASN 103 Cb 0.00 3.09 0.00 0.00 -1.02 0.00 0.00 39.78 41.85 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 -0.44 2.44 2.98 7.41 0.00 -1.26 -3.55 105.19 112.77 1o5p n GLY 104 Ca -0.07 -0.76 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.45 -2.15 1.61 -0.02 -1.26 -4.90 135.00 126.83 1o5p n PRO 105 Ca 0.00 -0.43 -0.18 0.00 -2.02 0.00 0.00 63.50 60.87 1o5p n PRO 105 Cb 0.00 -1.34 0.09 0.00 -0.02 0.00 0.00 33.50 32.24 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 -0.48 0.07 -4.46 -0.52 0.28 -1.26 -4.60 120.64 109.67 1o5p n GLU 106 Ca 0.03 -2.13 -0.25 0.00 -0.16 0.00 0.00 57.16 54.65 1o5p n GLU 106 Cb 0.35 -0.51 -0.10 0.00 1.43 0.00 0.00 31.44 32.62 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 -4.49 2.12 -0.20 -1.84 0.00 -1.26 -3.69 107.32 97.95 1o5p s GLY 107 Ca 0.51 -2.02 -0.09 0.00 0.00 0.00 0.00 44.72 43.12 1o5p s GLY 107 CO 0.34 -1.98 0.12 0.14 0.00 0.00 0.00 173.10 171.72 1o5p s VAL 108 N -2.56 5.25 -0.05 1.40 1.01 0.14 -4.72 120.40 120.87 1o5p s VAL 108 Ca 0.33 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 1o5p s VAL 108 Cb 0.01 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1o5p s VAL 108 CO 0.17 0.43 1.37 0.00 0.00 0.00 0.00 175.10 177.07 1o5p s ALA 109 N 0.47 3.59 0.47 5.51 0.00 -1.26 0.08 121.76 130.61 1o5p s ALA 109 Ca 0.07 0.75 0.06 0.00 0.00 0.00 0.00 51.96 52.84 1o5p s ALA 109 Cb -0.12 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.42 1o5p s ALA 109 CO -0.01 -1.01 0.65 0.96 0.00 0.00 0.00 175.76 176.36 1o5p s ILE 110 N 2.82 2.84 0.05 0.00 -4.36 -1.06 -4.83 121.20 116.65 1o5p s ILE 110 Ca 0.62 -0.89 0.00 0.00 -0.26 0.00 0.00 60.65 60.12 1o5p s ILE 110 Cb -0.28 -2.95 -0.03 0.00 1.25 0.00 0.00 42.46 40.44 1o5p s ILE 110 CO 0.23 0.00 -0.04 -0.44 0.24 0.00 0.00 174.94 174.93 1o5p s SER 111 N -4.40 0.58 -0.04 4.36 0.01 0.17 -4.76 113.70 109.64 1o5p s SER 111 Ca 0.56 -0.84 0.02 0.00 1.31 0.00 0.00 55.95 57.00 1o5p s SER 111 Cb -0.10 0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.28 1o5p s SER 111 CO 0.35 -0.46 -0.07 -0.36 0.41 0.00 0.00 173.24 173.11 1o5p s PHE 112 N -3.03 0.85 -1.30 2.43 0.08 -1.26 -2.94 117.98 112.81 1o5p s PHE 112 Ca 0.01 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 56.83 1o5p s PHE 112 Cb 0.01 -0.67 0.00 0.00 -0.57 0.00 0.00 43.02 41.80 1o5p s PHE 112 CO -0.06 -0.15 0.32 0.27 -0.10 0.00 0.00 175.22 175.51