#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 3.77 0.86 0.00 0.00 -1.26 -4.97 121.76 120.16 1o5p s ALA 2 Ca 0.00 -1.18 -0.12 0.00 0.00 0.00 0.00 51.96 50.67 1o5p s ALA 2 Cb 0.00 -1.56 0.12 0.00 0.00 0.00 0.00 23.12 21.68 1o5p s ALA 2 CO 0.00 0.45 1.18 -2.14 0.00 0.00 0.00 175.76 175.25 1o5p s PRO 3 N -3.37 1.29 0.17 0.00 0.02 -0.25 -4.45 135.00 128.41 1o5p s PRO 3 Ca 0.33 1.67 -0.17 0.00 0.02 0.00 0.00 61.00 62.84 1o5p s PRO 3 Cb -0.10 -1.75 0.03 0.00 0.02 0.00 0.00 34.50 32.71 1o5p s PRO 3 CO 0.26 -2.46 0.48 0.95 -0.33 0.00 0.00 177.00 175.91 1o5p s THR 4 N -2.39 0.04 -0.15 0.99 -4.23 1.08 -4.86 115.64 106.12 1o5p s THR 4 Ca 0.70 -0.62 -0.07 0.00 -1.18 0.00 0.00 61.69 60.52 1o5p s THR 4 Cb -0.26 -1.37 0.06 0.00 1.34 0.00 0.00 72.50 72.28 1o5p s THR 4 CO 0.54 -0.18 0.33 0.00 -0.54 0.00 0.00 174.62 174.78 1o5p s ALA 5 N -3.84 -0.82 -0.44 3.99 0.00 -1.26 0.27 121.76 119.66 1o5p s ALA 5 Ca 0.06 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.15 1o5p s ALA 5 Cb 0.00 -0.95 0.08 0.00 0.00 0.00 0.00 23.12 22.25 1o5p s ALA 5 CO -0.07 -0.43 0.32 0.95 0.00 0.00 0.00 175.76 176.52 1o5p s THR 6 N 1.83 4.63 -0.21 0.00 -4.23 -0.08 -4.79 115.64 112.79 1o5p s THR 6 Ca -0.05 -1.28 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 1o5p s THR 6 Cb -0.10 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 69.96 1o5p s THR 6 CO -0.11 -0.54 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.58 1o5p s VAL 7 N 1.51 2.21 -0.08 2.29 1.01 -1.24 0.13 120.40 126.23 1o5p s VAL 7 Ca 0.03 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 1o5p s VAL 7 Cb -0.24 -2.06 0.08 0.00 0.00 0.00 0.00 36.38 34.16 1o5p s VAL 7 CO 0.04 0.35 0.72 -0.89 0.00 0.00 0.00 175.10 175.32 1o5p s THR 8 N 1.25 0.00 0.55 3.92 2.01 -0.52 -4.32 115.64 118.53 1o5p s THR 8 Ca 0.01 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 1o5p s THR 8 Cb -0.15 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.30 1o5p s THR 8 CO -0.10 0.00 1.05 -2.16 -0.69 0.00 0.00 174.62 172.72 1o5p s PRO 9 N -1.07 3.52 0.05 4.92 0.05 -1.26 -0.85 135.00 140.35 1o5p s PRO 9 Ca -0.09 1.25 0.18 0.00 0.05 0.00 0.00 61.00 62.39 1o5p s PRO 9 Cb -0.00 -2.06 -0.15 0.00 0.05 0.00 0.00 34.50 32.34 1o5p s PRO 9 CO 0.08 -0.65 0.76 0.43 0.05 0.00 0.00 177.00 177.67 1o5p n SER 10 N -1.62 0.75 -4.22 6.66 7.64 -1.26 -4.77 113.62 116.79 1o5p n SER 10 Ca 0.09 0.33 -0.13 0.00 1.01 0.00 0.00 58.87 60.17 1o5p n SER 10 Cb 0.53 0.35 -0.10 0.00 -1.01 0.00 0.00 64.21 63.98 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 -5.65 0.83 -0.27 6.43 0.01 -1.26 0.60 113.70 114.39 1o5p s SER 11 Ca -0.04 -1.24 -0.01 0.00 1.31 0.00 0.00 55.95 55.97 1o5p s SER 11 Cb 0.09 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1o5p s SER 11 CO 0.82 -0.67 0.17 0.61 0.41 0.00 0.00 173.24 174.58 1o5p n GLY 12 N -0.24 0.57 0.13 3.44 0.00 -1.14 -4.90 105.19 103.06 1o5p n GLY 12 Ca -0.04 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.17 2.41 -1.05 0.99 4.77 -1.26 -5.06 117.00 116.63 1o5p n LEU 13 Ca -0.01 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 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 0.11 0.68 -0.31 -0.24 -1.33 0.00 0.00 177.39 176.29 1o5p n SER 14 N -3.79 -5.84 -4.46 -1.43 2.88 -1.26 -3.86 113.62 95.86 1o5p n SER 14 Ca -0.36 1.02 -0.48 0.00 -1.33 0.00 0.00 58.87 57.72 1o5p n SER 14 Cb 0.92 -2.94 -0.08 0.00 -0.75 0.00 0.00 64.21 61.37 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 1.91 0.00 -3.46 5.75 -1.26 -1.99 116.55 115.96 1o5p n ASP 15 Ca 0.00 0.26 0.00 0.00 -0.01 0.00 0.00 54.79 55.04 1o5p n ASP 15 Cb 0.15 -1.26 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 6.49 1.49 1.41 6.12 0.00 -1.26 -5.06 105.19 114.39 1o5p n GLY 16 Ca 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.61 0.00 -4.69 2.61 5.66 -0.84 -4.97 114.28 111.43 1o5p n THR 17 Ca 0.00 -0.75 -0.23 0.00 -3.05 0.00 0.00 64.05 60.01 1o5p n THR 17 Cb 0.00 -0.57 -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 -0.66 1.19 0.19 1.08 1.01 -1.26 -2.05 120.40 119.89 1o5p s VAL 18 Ca 0.17 -0.63 0.10 0.00 0.00 0.00 0.00 61.98 61.61 1o5p s VAL 18 Cb -0.01 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1o5p s VAL 18 CO 0.11 0.34 -0.14 0.68 0.00 0.00 0.00 175.10 176.08 1o5p s VAL 19 N -0.25 2.93 -0.37 2.92 -7.23 0.17 -4.74 120.40 113.83 1o5p s VAL 19 Ca 0.04 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.34 1o5p s VAL 19 Cb -0.07 -2.44 0.05 0.00 0.56 0.00 0.00 36.38 34.48 1o5p s VAL 19 CO -0.00 -0.12 0.18 -0.75 -0.31 0.00 0.00 175.10 174.10 1o5p s LYS 20 N -2.79 2.67 -0.22 4.82 2.47 -0.03 -1.05 119.74 125.60 1o5p s LYS 20 Ca 0.24 -1.22 -0.07 0.00 -1.56 0.00 0.00 55.97 53.36 1o5p s LYS 20 Cb -0.08 -3.63 -0.03 0.00 -1.46 0.00 0.00 37.83 32.63 1o5p s LYS 20 CO 0.14 -0.75 0.05 0.54 0.16 0.00 0.00 175.35 175.48 1o5p s VAL 21 N 1.45 4.34 0.39 4.02 0.11 -0.85 -1.43 120.40 128.42 1o5p s VAL 21 Ca 0.01 -0.17 0.08 0.00 -2.93 0.00 0.00 61.98 58.96 1o5p s VAL 21 Cb -0.20 -2.99 -0.07 0.00 -1.53 0.00 0.00 36.38 31.59 1o5p s VAL 21 CO 0.04 0.39 0.02 0.00 -3.33 0.00 0.00 175.10 172.22 1o5p s ALA 22 N 1.17 3.21 -0.01 1.54 0.00 0.35 -2.30 121.76 125.72 1o5p s ALA 22 Ca 0.04 -2.18 0.01 0.00 0.00 0.00 0.00 51.96 49.83 1o5p s ALA 22 Cb -0.14 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1o5p s ALA 22 CO 0.03 -0.06 -0.03 0.20 0.00 0.00 0.00 175.76 175.90 1o5p s GLY 23 N -3.73 0.21 -0.04 0.00 0.00 0.33 -0.91 107.32 103.19 1o5p s GLY 23 Ca 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.99 1o5p s GLY 23 CO 0.19 0.09 0.08 0.00 0.00 0.00 0.00 173.10 173.46 1o5p s ALA 24 N 0.26 0.01 0.00 3.20 0.00 0.76 0.33 121.76 126.32 1o5p s ALA 24 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1o5p s ALA 24 Cb -0.05 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1o5p s ALA 24 CO -0.01 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1o5p n GLY 25 N 4.66 1.01 3.97 0.00 0.00 -0.97 0.35 105.19 114.20 1o5p n GLY 25 Ca -0.18 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 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 2.97 -0.92 0.99 1.43 -0.84 -1.09 118.68 121.23 1o5p s LEU 26 Ca 0.00 -0.00 -0.25 0.00 -1.03 0.00 0.00 54.13 52.85 1o5p s LEU 26 Cb 0.00 -2.51 -0.22 0.00 0.03 0.00 0.00 46.19 43.49 1o5p s LEU 26 CO 0.00 -1.72 2.52 0.00 0.23 0.00 0.00 176.35 177.37 1o5p n GLN 27 N -2.84 0.18 -1.20 1.70 3.00 -1.26 -4.10 117.38 112.85 1o5p n GLN 27 Ca 0.12 -0.05 -0.19 0.00 -0.01 0.00 0.00 57.00 56.86 1o5p n GLN 27 Cb 0.60 -1.79 -0.10 0.00 0.00 0.00 0.00 30.24 28.95 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 10.61 0.38 0.00 -1.58 0.00 -1.23 -1.30 120.51 127.39 1o5p n ALA 28 Ca 0.61 -2.09 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1o5p n ALA 28 Cb 0.15 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 16.70 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 5.49 0.49 2.86 0.00 0.00 0.92 -4.81 105.19 110.14 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 -0.39 -0.07 2.61 -1.32 -0.42 -4.88 115.64 110.55 1o5p s THR 30 Ca 0.00 0.05 -0.39 0.00 -1.21 0.00 0.00 61.69 60.13 1o5p s THR 30 Cb 0.00 -0.60 -0.18 0.00 -1.51 0.00 0.00 72.50 70.22 1o5p s THR 30 CO 0.00 -0.07 1.38 0.00 -2.21 0.00 0.00 174.62 173.72 1o5p n ALA 31 N 5.34 -1.51 -2.42 11.08 0.00 -1.26 -2.71 120.51 129.02 1o5p n ALA 31 Ca -0.05 0.51 -0.28 0.00 0.00 0.00 0.00 53.44 53.62 1o5p n ALA 31 Cb 0.50 -2.01 -0.13 0.00 0.00 0.00 0.00 19.45 17.80 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 1.25 2.17 0.24 0.00 2.02 0.15 -4.64 117.35 118.55 1o5p s TYR 32 Ca 0.91 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 57.27 1o5p s TYR 32 Cb -1.11 -1.19 -0.03 0.00 -0.40 0.00 0.00 41.96 39.23 1o5p s TYR 32 CO 0.57 0.28 0.35 0.34 -1.57 0.00 0.00 175.55 175.52 1o5p s ASP 33 N -1.94 6.25 -0.11 2.29 -1.08 0.77 -1.45 116.67 121.41 1o5p s ASP 33 Ca 0.12 0.04 -0.04 0.00 -0.52 0.00 0.00 52.55 52.16 1o5p s ASP 33 Cb -0.10 -1.82 0.05 0.00 -1.46 0.00 0.00 42.92 39.60 1o5p s ASP 33 CO 0.05 -0.07 0.15 0.54 0.52 0.00 0.00 175.17 176.36 1o5p s VAL 34 N -1.99 -0.23 0.13 1.11 0.11 -0.86 -1.40 120.40 117.27 1o5p s VAL 34 Ca 0.34 0.22 -0.14 0.00 -2.93 0.00 0.00 61.98 59.47 1o5p s VAL 34 Cb -0.09 -0.38 0.05 0.00 -1.53 0.00 0.00 36.38 34.43 1o5p s VAL 34 CO 0.29 0.03 0.67 0.61 -3.33 0.00 0.00 175.10 173.37 1o5p n GLY 35 N 5.31 0.88 3.42 6.54 0.00 -0.91 -0.23 105.19 120.21 1o5p n GLY 35 Ca -0.05 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 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 2.92 0.08 1.61 -2.07 -1.26 -2.58 119.66 116.32 1o5p s GLN 36 Ca 0.15 -1.09 0.06 0.00 -1.82 0.00 0.00 55.36 52.66 1o5p s GLN 36 Cb -0.02 -3.93 -0.03 0.00 -1.09 0.00 0.00 33.01 27.94 1o5p s GLN 36 CO 0.04 -0.77 -0.15 0.00 -1.32 0.00 0.00 175.29 173.08 1o5p s ALA 38 N -1.24 1.74 -0.35 0.00 0.00 -0.72 -1.63 121.76 119.57 1o5p s ALA 38 Ca -0.00 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 50.92 1o5p s ALA 38 Cb -0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 1o5p s ALA 38 CO 0.03 0.39 0.44 -1.58 0.00 0.00 0.00 175.76 175.04 1o5p s TRP 39 N -0.32 3.19 -0.82 0.00 0.51 -1.26 -1.68 118.94 118.56 1o5p s TRP 39 Ca 0.04 0.08 0.16 0.00 -2.12 0.00 0.00 56.10 54.26 1o5p s TRP 39 Cb -0.10 -2.80 0.58 0.00 -0.81 0.00 0.00 33.47 30.34 1o5p s TRP 39 CO 0.00 -0.49 1.49 1.33 -0.51 0.00 0.00 176.95 178.78 1o5p n VAL 40 N 5.34 1.77 -1.50 4.03 0.24 -0.90 -4.74 118.33 122.57 1o5p n VAL 40 Ca -0.07 -1.33 0.00 0.00 -2.04 0.00 0.00 64.34 60.91 1o5p n VAL 40 Cb 0.49 0.11 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 0.56 0.00 -4.55 -1.34 9.92 -1.26 -4.95 116.55 114.92 1o5p n ASP 41 Ca 0.21 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.10 1o5p n ASP 41 Cb 0.79 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.23 1o5p n ASP 41 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1o5p s THR 42 N -2.46 3.47 0.00 -3.53 2.01 -1.26 -2.91 115.64 110.96 1o5p s THR 42 Ca 0.00 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.09 1o5p s THR 42 Cb 0.00 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1o5p s THR 42 CO 0.00 -1.16 0.00 0.61 -0.69 0.00 0.00 174.62 173.38 1o5p n GLY 43 N 5.90 0.75 3.10 4.40 0.00 -1.26 -5.05 105.19 113.03 1o5p n GLY 43 Ca 0.21 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 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 2.60 -0.34 1.61 1.01 -1.15 -4.99 120.40 117.15 1o5p s VAL 44 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.19 1o5p s VAL 44 Cb 0.00 -2.65 0.08 0.00 0.00 0.00 0.00 36.38 33.82 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 1.11 4.44 -0.42 3.92 2.96 -1.26 -2.11 118.68 127.31 1o5p s LEU 45 Ca -0.01 -1.73 -0.16 0.00 -0.22 0.00 0.00 54.13 52.01 1o5p s LEU 45 Cb -0.20 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 44.81 1o5p s LEU 45 CO -0.04 -0.36 0.39 0.00 -1.32 0.00 0.00 176.35 175.02 1o5p s ALA 46 N 1.11 3.45 0.28 5.97 0.00 -0.68 -3.53 121.76 128.37 1o5p s ALA 46 Ca 0.02 -1.64 0.08 0.00 0.00 0.00 0.00 51.96 50.42 1o5p s ALA 46 Cb -0.20 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1o5p s ALA 46 CO -0.04 -1.57 0.19 0.00 0.00 0.00 0.00 175.76 174.33 1o5p s ASN 48 N -3.86 4.74 0.00 0.00 2.47 -0.94 -0.49 114.94 116.86 1o5p s ASN 48 Ca 0.35 -0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.58 1o5p s ASN 48 Cb -0.07 -1.41 0.00 0.00 -1.45 0.00 0.00 41.25 38.32 1o5p s ASN 48 CO 0.24 0.30 0.53 -0.81 -3.72 0.00 0.00 177.10 173.64 1o5p n PRO 49 N 2.67 0.69 -0.04 0.43 -0.04 -1.26 -3.20 135.00 134.25 1o5p n PRO 49 Ca -0.18 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.33 1o5p n PRO 49 Cb 0.53 -1.24 0.07 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.42 2.41 -1.70 0.55 0.00 -1.26 -4.45 120.51 116.49 1o5p n ALA 50 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1o5p n ALA 50 Cb 0.26 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 0.56 0.00 -4.56 0.00 5.75 -1.19 -2.58 116.55 114.53 1o5p n ASP 51 Ca 0.07 -1.64 -0.41 0.00 -0.01 0.00 0.00 54.79 52.81 1o5p n ASP 51 Cb 0.30 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.23 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 0.00 2.48 0.00 2.11 0.08 -1.25 -3.14 117.98 118.25 1o5p s PHE 52 Ca 0.00 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.37 1o5p s PHE 52 Cb 0.00 -4.68 0.00 0.00 -0.57 0.00 0.00 43.02 37.77 1o5p s PHE 52 CO 0.00 -1.96 0.00 0.43 -0.10 0.00 0.00 175.22 173.59 1o5p n SER 53 N 9.04 1.13 0.00 1.36 7.64 0.68 -4.93 113.62 128.54 1o5p n SER 53 Ca 0.28 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.34 1o5p n SER 53 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 -1.53 0.00 -3.68 6.43 2.88 -1.26 -2.02 113.62 114.43 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 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 -0.56 0.08 0.02 2.46 0.11 -0.53 -4.95 120.40 117.02 1o5p s VAL 55 Ca 0.00 -0.63 -0.06 0.00 -2.93 0.00 0.00 61.98 58.37 1o5p s VAL 55 Cb 0.00 -1.12 -0.05 0.00 -1.53 0.00 0.00 36.38 33.69 1o5p s VAL 55 CO 0.00 -0.35 0.26 -0.89 -3.33 0.00 0.00 175.10 170.80 1o5p s THR 56 N -3.39 5.31 -0.37 5.04 2.01 -1.26 0.33 115.64 123.31 1o5p s THR 56 Ca 0.01 0.09 -0.28 0.00 0.31 0.00 0.00 61.69 61.81 1o5p s THR 56 Cb 0.01 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 1o5p s THR 56 CO -0.09 0.32 1.87 0.00 -0.69 0.00 0.00 174.62 176.03 1o5p s ALA 57 N -1.35 2.70 0.00 7.40 0.00 -1.10 -4.68 121.76 124.73 1o5p s ALA 57 Ca 0.29 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1o5p s ALA 57 Cb -0.13 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 18.91 1o5p s ALA 57 CO 0.18 -2.91 0.00 -3.47 0.00 0.00 0.00 175.76 169.56 1o5p n ASP 58 N 11.01 0.00 -0.11 0.00 2.03 -1.26 0.31 116.55 128.53 1o5p n ASP 58 Ca 0.24 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.50 1o5p n ASP 58 Cb 0.48 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.89 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 0.26 0.00 -1.67 0.00 -1.93 -3.15 119.26 110.77 1o5p h ALA 59 Ca 0.00 0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.73 1o5p h ALA 59 Cb 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1o5p h ALA 59 CO 0.00 -0.45 -2.24 -1.71 0.00 0.00 0.00 179.25 174.85 1o5p n ASN 60 N -5.28 1.81 0.00 0.00 2.85 -1.26 -4.56 115.26 108.82 1o5p n ASN 60 Ca 0.02 -0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 1o5p n ASN 60 Cb 0.21 0.03 0.00 0.00 1.24 0.00 0.00 39.78 41.26 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 2.29 0.71 3.64 8.20 0.00 -1.20 -1.99 105.19 116.85 1o5p n GLY 61 Ca -0.36 -0.73 -0.35 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 -1.07 5.73 -0.21 1.61 0.01 -1.25 -2.30 113.70 116.23 1o5p s SER 62 Ca 0.00 0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.32 1o5p s SER 62 Cb 0.00 -1.99 0.07 0.00 0.21 0.00 0.00 66.02 64.30 1o5p s SER 62 CO 0.00 0.16 0.06 0.00 0.41 0.00 0.00 173.24 173.86 1o5p s ALA 63 N 0.47 0.93 -0.19 1.44 0.00 0.15 -4.65 121.76 119.92 1o5p s ALA 63 Ca 0.04 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1o5p s ALA 63 Cb -0.12 -1.21 0.02 0.00 0.00 0.00 0.00 23.12 21.81 1o5p s ALA 63 CO 0.00 -1.25 -0.19 -1.54 0.00 0.00 0.00 175.76 172.79 1o5p s SER 64 N 1.90 3.25 -0.07 0.00 1.04 -1.26 0.12 113.70 118.68 1o5p s SER 64 Ca 0.01 -0.72 -0.09 0.00 0.48 0.00 0.00 55.95 55.62 1o5p s SER 64 Cb -0.17 -1.47 0.02 0.00 0.10 0.00 0.00 66.02 64.50 1o5p s SER 64 CO -0.11 -0.03 0.24 0.28 0.98 0.00 0.00 173.24 174.60 1o5p s THR 65 N 1.28 0.02 -0.15 2.02 -1.32 -0.97 -4.99 115.64 111.53 1o5p s THR 65 Ca 0.03 -0.18 -0.07 0.00 -1.21 0.00 0.00 61.69 60.27 1o5p s THR 65 Cb -0.14 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.41 1o5p s THR 65 CO -0.12 -0.10 0.09 -0.94 -2.21 0.00 0.00 174.62 171.35 1o5p s SER 66 N -0.32 5.95 0.25 8.08 1.04 -1.26 -2.01 113.70 125.42 1o5p s SER 66 Ca -0.04 0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.65 1o5p s SER 66 Cb -0.03 -1.95 -0.05 0.00 0.10 0.00 0.00 66.02 64.09 1o5p s SER 66 CO 0.01 0.29 0.10 -0.76 0.98 0.00 0.00 173.24 173.86 1o5p s LEU 67 N -0.32 1.57 -0.23 2.42 1.02 -0.22 -4.92 118.68 118.00 1o5p s LEU 67 Ca 0.10 -1.38 -0.11 0.00 0.02 0.00 0.00 54.13 52.76 1o5p s LEU 67 Cb -0.12 0.07 -0.05 0.00 0.02 0.00 0.00 46.19 46.11 1o5p s LEU 67 CO 0.01 -0.74 0.18 0.42 0.02 0.00 0.00 176.35 176.23 1o5p s THR 68 N -3.81 5.35 0.01 5.49 -4.23 -1.07 0.41 115.64 117.80 1o5p s THR 68 Ca 0.38 0.22 0.02 0.00 -1.18 0.00 0.00 61.69 61.13 1o5p s THR 68 Cb 0.08 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.39 1o5p s THR 68 CO 0.13 0.35 -0.07 0.68 -0.54 0.00 0.00 174.62 175.17 1o5p s VAL 69 N 1.01 0.55 0.18 2.29 -7.23 -0.87 -4.09 120.40 112.22 1o5p s VAL 69 Ca 0.08 -0.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 1o5p s VAL 69 Cb -0.13 -0.51 -0.00 0.00 0.56 0.00 0.00 36.38 36.30 1o5p s VAL 69 CO 0.04 -0.02 0.22 -2.11 -0.31 0.00 0.00 175.10 172.92 1o5p n ARG 70 N 2.43 0.32 0.00 4.82 1.85 -1.26 -4.23 116.66 120.59 1o5p n ARG 70 Ca -0.16 -1.48 0.00 0.00 -1.00 0.00 0.00 57.85 55.20 1o5p n ARG 70 Cb 0.57 1.38 0.00 0.00 -1.05 0.00 0.00 32.46 33.35 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 -0.30 0.00 -1.72 2.89 1.85 -1.26 -4.56 116.66 113.56 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 0.30 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.71 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 3.06 -3.63 2.89 7.64 -1.26 -1.96 113.62 120.36 1o5p n SER 72 Ca 0.00 1.21 -0.11 0.00 1.01 0.00 0.00 58.87 60.99 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 -1.09 -0.84 -0.32 1.43 -0.71 -0.68 -4.82 117.98 110.94 1o5p s PHE 73 Ca 0.55 1.88 -0.34 0.00 -1.04 0.00 0.00 56.93 57.98 1o5p s PHE 73 Cb -0.54 0.40 -0.15 0.00 -1.21 0.00 0.00 43.02 41.52 1o5p s PHE 73 CO 0.63 -0.41 1.13 -1.91 -1.34 0.00 0.00 175.22 173.32 1o5p n GLU 74 N 3.21 0.00 -1.70 1.99 0.00 -1.26 -1.73 120.64 121.14 1o5p n GLU 74 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.67 1o5p n GLU 74 Cb 0.56 -1.10 -0.02 0.00 0.00 0.00 0.00 31.44 30.89 1o5p n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1o5p n GLY 75 N 2.72 4.88 3.41 8.31 0.00 -0.55 -2.23 105.19 121.73 1o5p n GLY 75 Ca 0.22 -2.14 -0.62 0.00 0.00 0.00 0.00 46.02 43.48 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 0.33 1.49 -3.05 1.61 3.01 0.36 -2.31 117.46 118.90 1o5p n PHE 76 Ca 0.51 0.98 -0.40 0.00 1.01 0.00 0.00 57.45 59.55 1o5p n PHE 76 Cb 0.41 -2.13 -0.05 0.00 -0.01 0.00 0.00 39.48 37.70 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 3.72 4.22 -0.31 4.37 2.96 -0.64 -1.98 118.68 131.01 1o5p s LEU 77 Ca 1.04 1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 55.96 1o5p s LEU 77 Cb -1.42 -3.02 -0.03 0.00 0.50 0.00 0.00 46.19 42.22 1o5p s LEU 77 CO 0.73 -0.23 1.41 0.33 -1.32 0.00 0.00 176.35 177.27 1o5p n PHE 78 N 4.57 0.46 -2.00 5.38 7.35 -1.23 -2.91 117.46 129.08 1o5p n PHE 78 Ca -0.00 -0.97 0.00 0.00 -0.76 0.00 0.00 57.45 55.72 1o5p n PHE 78 Cb 0.50 -0.97 0.00 0.00 0.35 0.00 0.00 39.48 39.36 1o5p n PHE 78 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1o5p n ASP 79 N 4.39 0.00 0.00 -2.13 8.00 -1.26 -4.98 116.55 120.57 1o5p n ASP 79 Ca 0.17 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1o5p n ASP 79 Cb 0.08 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1o5p n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1o5p n GLY 80 N 0.00 2.75 3.95 0.44 0.00 -1.14 -4.99 105.19 106.20 1o5p n GLY 80 Ca 0.00 0.00 -0.23 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 -1.07 5.05 -0.09 2.61 -4.23 -1.26 -4.96 115.64 111.68 1o5p s THR 81 Ca 0.00 -0.61 -0.03 0.00 -1.18 0.00 0.00 61.69 59.87 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 -0.48 0.02 0.00 -0.54 0.00 0.00 174.62 173.62 1o5p s ARG 82 N -4.25 3.08 0.30 3.99 1.70 -1.26 -1.62 118.95 120.88 1o5p s ARG 82 Ca 0.39 -0.37 0.23 0.00 -0.47 0.00 0.00 55.73 55.51 1o5p s ARG 82 Cb -0.09 -2.86 0.27 0.00 -0.57 0.00 0.00 34.95 31.70 1o5p s ARG 82 CO 0.34 0.70 1.40 2.35 -1.08 0.00 0.00 175.30 179.00 1o5p h TRP 83 N 5.20 0.00 0.00 5.89 7.01 -1.78 -3.45 115.95 128.82 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 1.20 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.26 1o5p h TRP 83 CO 0.65 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.71 1o5p n GLY 84 N 1.18 1.38 3.58 2.65 0.00 -1.26 -4.90 105.19 107.82 1o5p n GLY 84 Ca 0.03 -2.19 -0.40 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 -1.45 3.28 -0.55 2.61 -4.23 -1.26 -1.48 115.64 112.56 1o5p s THR 85 Ca 0.00 0.24 -0.28 0.00 -1.18 0.00 0.00 61.69 60.47 1o5p s THR 85 Cb 0.00 -3.50 0.02 0.00 1.34 0.00 0.00 72.50 70.35 1o5p s THR 85 CO 0.00 -0.40 1.39 -0.69 -0.54 0.00 0.00 174.62 174.37 1o5p s VAL 86 N 8.73 3.83 -0.27 2.29 1.01 -0.71 -4.67 120.40 130.60 1o5p s VAL 86 Ca 0.83 0.72 -0.28 0.00 0.00 0.00 0.00 61.98 63.25 1o5p s VAL 86 Cb -0.20 -4.46 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 1o5p s VAL 86 CO 0.29 -1.16 1.90 -1.81 0.00 0.00 0.00 175.10 174.32 1o5p s ASP 87 N 4.20 5.84 0.00 3.32 1.01 -1.26 -1.69 116.67 128.08 1o5p s ASP 87 Ca 0.52 1.55 0.05 0.00 0.71 0.00 0.00 52.55 55.38 1o5p s ASP 87 Cb -0.11 -2.52 0.25 0.00 1.01 0.00 0.00 42.92 41.55 1o5p s ASP 87 CO 0.26 -1.71 0.99 0.00 0.21 0.00 0.00 175.17 174.92 1o5p n THR 89 N -1.29 0.00 -0.04 0.00 -2.24 -1.26 -4.14 114.28 105.31 1o5p n THR 89 Ca 0.02 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 1o5p n THR 89 Cb 0.04 0.15 -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 -0.24 0.52 -3.44 4.28 -2.24 -0.01 -5.06 114.28 108.09 1o5p n THR 90 Ca 0.21 -0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 61.68 1o5p n THR 90 Cb 0.27 -1.63 0.03 0.00 -2.10 0.00 0.00 70.33 66.91 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 -3.41 0.97 -2.92 6.98 0.00 -1.17 -5.09 120.51 115.86 1o5p n ALA 91 Ca -0.16 -1.99 -0.38 0.00 0.00 0.00 0.00 53.44 50.91 1o5p n ALA 91 Cb 0.59 0.68 -0.12 0.00 0.00 0.00 0.00 19.45 20.61 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 -2.69 3.24 -0.26 0.00 0.00 -1.26 -4.71 121.76 116.09 1o5p s ALA 92 Ca 0.43 -1.38 -0.14 0.00 0.00 0.00 0.00 51.96 50.87 1o5p s ALA 92 Cb -0.03 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1o5p s ALA 92 CO 0.27 -0.87 0.32 0.00 0.00 0.00 0.00 175.76 175.48 1o5p s GLN 94 N 1.75 3.37 -0.35 0.00 -0.21 -0.64 -2.53 119.66 121.05 1o5p s GLN 94 Ca 0.13 -0.39 -0.10 0.00 0.02 0.00 0.00 55.36 55.03 1o5p s GLN 94 Cb -0.15 -3.04 0.02 0.00 1.00 0.00 0.00 33.01 30.84 1o5p s GLN 94 CO 0.09 0.65 0.17 0.08 -2.12 0.00 0.00 175.29 174.16 1o5p s VAL 95 N -1.35 4.44 0.02 1.09 1.01 0.14 -2.23 120.40 123.51 1o5p s VAL 95 Ca 0.29 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 1o5p s VAL 95 Cb -0.13 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1o5p s VAL 95 CO 0.20 -0.13 0.03 0.61 0.00 0.00 0.00 175.10 175.82 1o5p n GLY 96 N 4.96 2.57 3.79 4.51 0.00 -1.06 0.28 105.19 120.24 1o5p n GLY 96 Ca -0.13 -1.23 -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 2.49 0.00 0.99 1.02 -1.24 -2.14 118.68 119.80 1o5p s LEU 97 Ca 0.01 -1.49 0.00 0.00 0.02 0.00 0.00 54.13 52.67 1o5p s LEU 97 Cb -0.00 -0.91 0.00 0.00 0.02 0.00 0.00 46.19 45.30 1o5p s LEU 97 CO 0.01 -0.88 0.00 -1.20 0.02 0.00 0.00 176.35 174.30 1o5p n SER 98 N -1.38 0.00 0.00 2.29 7.64 -0.49 -4.26 113.62 117.41 1o5p n SER 98 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1o5p n SER 98 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1o5p n SER 98 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1o5p n ASP 99 N 0.00 1.15 -1.58 6.43 5.75 -1.25 0.27 116.55 127.33 1o5p n ASP 99 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.63 1o5p n ASP 99 Cb 0.00 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.19 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 4.72 -0.04 2.12 0.00 -1.26 -4.61 120.51 118.44 1o5p n ALA 100 Ca 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 53.44 49.84 1o5p n ALA 100 Cb 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.89 1.79 0.00 0.00 0.00 -1.26 -5.01 120.51 115.13 1o5p n ALA 101 Ca 0.38 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1o5p n ALA 101 Cb 0.89 0.13 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 2.66 1.03 2.82 0.00 0.00 -1.26 -5.14 105.19 105.29 1o5p n GLY 102 Ca -0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.50 -0.10 1.61 5.03 -1.26 -5.01 115.26 114.02 1o5p n ASN 103 Ca 0.00 -1.93 0.00 0.00 0.87 0.00 0.00 54.58 53.52 1o5p n ASN 103 Cb 0.00 2.47 0.00 0.00 -1.02 0.00 0.00 39.78 41.23 1o5p n ASN 103 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1o5p n GLY 104 N -0.47 1.83 2.98 7.41 0.00 -1.26 -3.74 105.19 111.94 1o5p n GLY 104 Ca -0.04 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.53 -2.61 1.61 -0.02 -1.26 -4.91 135.00 126.28 1o5p n PRO 105 Ca 0.00 -0.45 -0.21 0.00 -2.02 0.00 0.00 63.50 60.81 1o5p n PRO 105 Cb 0.00 -1.35 0.10 0.00 -0.02 0.00 0.00 33.50 32.24 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 -0.60 0.08 -4.44 -0.52 -0.58 -1.26 -4.63 120.64 108.69 1o5p n GLU 106 Ca 0.03 -2.74 -0.26 0.00 -0.42 0.00 0.00 57.16 53.78 1o5p n GLU 106 Cb 0.34 -0.54 -0.10 0.00 -0.57 0.00 0.00 31.44 30.57 1o5p n GLU 106 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1o5p s GLY 107 N -4.91 2.21 -0.17 0.62 0.00 -1.26 -3.73 107.32 100.08 1o5p s GLY 107 Ca 0.63 -2.08 -0.06 0.00 0.00 0.00 0.00 44.72 43.21 1o5p s GLY 107 CO 0.41 -1.98 0.05 0.14 0.00 0.00 0.00 173.10 171.72 1o5p s VAL 108 N -2.59 4.65 -0.13 1.40 1.01 0.14 -4.75 120.40 120.14 1o5p s VAL 108 Ca 0.34 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1o5p s VAL 108 Cb 0.03 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1o5p s VAL 108 CO 0.18 0.48 1.31 0.00 0.00 0.00 0.00 175.10 177.08 1o5p s ALA 109 N 0.20 3.63 0.48 5.51 0.00 -1.26 0.25 121.76 130.58 1o5p s ALA 109 Ca 0.03 0.56 0.06 0.00 0.00 0.00 0.00 51.96 52.61 1o5p s ALA 109 Cb -0.12 -3.62 0.03 0.00 0.00 0.00 0.00 23.12 19.40 1o5p s ALA 109 CO 0.01 -1.13 0.66 0.96 0.00 0.00 0.00 175.76 176.26 1o5p s ILE 110 N 3.32 2.78 0.05 0.00 -4.36 -1.05 -4.84 121.20 117.11 1o5p s ILE 110 Ca 0.58 -0.90 -0.00 0.00 -0.26 0.00 0.00 60.65 60.07 1o5p s ILE 110 Cb -0.24 -2.88 -0.03 0.00 1.25 0.00 0.00 42.46 40.55 1o5p s ILE 110 CO 0.18 0.00 -0.04 -0.55 0.24 0.00 0.00 174.94 174.77 1o5p s SER 111 N -4.42 0.58 -0.50 4.36 0.15 0.20 -4.70 113.70 109.35 1o5p s SER 111 Ca 0.57 -0.85 0.06 0.00 0.70 0.00 0.00 55.95 56.43 1o5p s SER 111 Cb -0.09 0.14 0.22 0.00 -1.71 0.00 0.00 66.02 64.58 1o5p s SER 111 CO 0.36 -0.47 0.54 0.49 1.20 0.00 0.00 173.24 175.35 1o5p n PHE 112 N 0.55 1.06 1.41 3.44 3.01 -1.26 -2.87 117.46 122.79 1o5p n PHE 112 Ca -0.17 -3.77 0.11 0.00 1.01 0.00 0.00 57.45 54.64 1o5p n PHE 112 Cb 0.59 -0.31 0.67 0.00 -0.01 0.00 0.00 39.48 40.42 1o5p n PHE 112 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04