#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 3.20 0.83 0.00 0.00 -1.26 -4.97 121.76 119.57 1o5p s ALA 2 Ca 0.00 -1.51 -0.12 0.00 0.00 0.00 0.00 51.96 50.33 1o5p s ALA 2 Cb 0.00 0.35 0.10 0.00 0.00 0.00 0.00 23.12 23.57 1o5p s ALA 2 CO 0.00 -0.18 1.19 -2.14 0.00 0.00 0.00 175.76 174.64 1o5p s PRO 3 N -3.80 1.48 0.00 0.00 0.02 -0.47 -4.03 135.00 128.19 1o5p s PRO 3 Ca 0.25 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.97 1o5p s PRO 3 Cb 0.06 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.82 1o5p s PRO 3 CO 0.13 -2.32 0.00 -2.37 -0.33 0.00 0.00 177.00 172.11 1o5p n THR 4 N -3.54 0.00 -3.64 0.99 5.66 0.32 -4.85 114.28 109.22 1o5p n THR 4 Ca 0.13 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.08 1o5p n THR 4 Cb 0.51 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.22 1o5p n THR 4 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1o5p s ALA 5 N -1.00 -2.13 -0.48 1.79 0.00 -1.25 -1.10 121.76 117.59 1o5p s ALA 5 Ca 0.00 2.13 -0.15 0.00 0.00 0.00 0.00 51.96 53.94 1o5p s ALA 5 Cb 0.00 -1.59 0.08 0.00 0.00 0.00 0.00 23.12 21.61 1o5p s ALA 5 CO 0.00 -0.32 0.39 0.95 0.00 0.00 0.00 175.76 176.79 1o5p s THR 6 N 1.02 5.10 -0.20 0.00 -4.23 0.16 -4.77 115.64 112.73 1o5p s THR 6 Ca -0.05 -1.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.29 1o5p s THR 6 Cb -0.04 -4.09 0.03 0.00 1.34 0.00 0.00 72.50 69.73 1o5p s THR 6 CO -0.13 -0.62 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.47 1o5p s VAL 7 N 1.61 2.12 -0.13 2.29 1.01 -1.24 0.13 120.40 126.19 1o5p s VAL 7 Ca 0.04 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 1o5p s VAL 7 Cb -0.25 -1.96 0.10 0.00 0.00 0.00 0.00 36.38 34.27 1o5p s VAL 7 CO 0.05 0.42 0.86 -0.89 0.00 0.00 0.00 175.10 175.54 1o5p s THR 8 N 1.26 0.00 0.54 3.92 2.01 -0.58 -4.39 115.64 118.40 1o5p s THR 8 Ca 0.02 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.85 1o5p s THR 8 Cb -0.14 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.31 1o5p s THR 8 CO -0.11 0.00 1.04 -2.16 -0.69 0.00 0.00 174.62 172.70 1o5p s PRO 9 N -1.01 3.58 0.05 4.92 0.05 -1.26 -1.10 135.00 140.23 1o5p s PRO 9 Ca -0.05 1.23 0.18 0.00 0.05 0.00 0.00 61.00 62.41 1o5p s PRO 9 Cb -0.01 -2.07 -0.14 0.00 0.05 0.00 0.00 34.50 32.33 1o5p s PRO 9 CO 0.05 -0.60 0.77 0.43 0.05 0.00 0.00 177.00 177.70 1o5p n SER 10 N -1.56 0.74 -4.19 6.66 7.64 -1.26 -4.77 113.62 116.88 1o5p n SER 10 Ca 0.09 0.32 -0.11 0.00 1.01 0.00 0.00 58.87 60.17 1o5p n SER 10 Cb 0.53 0.38 -0.10 0.00 -1.01 0.00 0.00 64.21 64.00 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 -5.62 0.68 -0.20 6.43 0.01 -1.26 0.54 113.70 114.28 1o5p s SER 11 Ca -0.03 -1.20 -0.01 0.00 1.31 0.00 0.00 55.95 56.02 1o5p s SER 11 Cb 0.09 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1o5p s SER 11 CO 0.82 -0.67 0.12 0.61 0.41 0.00 0.00 173.24 174.53 1o5p n GLY 12 N -0.16 0.63 0.13 3.44 0.00 -1.18 -4.90 105.19 103.15 1o5p n GLY 12 Ca -0.06 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.94 2.51 -0.89 0.99 4.77 -1.26 -5.06 117.00 117.12 1o5p n LEU 13 Ca -0.01 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1o5p n LEU 13 Cb 0.51 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1o5p n LEU 13 CO 0.08 0.74 -0.26 -0.24 -1.33 0.00 0.00 177.39 176.38 1o5p n SER 14 N -3.67 -5.11 -4.47 -1.43 2.88 -1.26 -3.89 113.62 96.67 1o5p n SER 14 Ca -0.35 0.79 -0.46 0.00 -1.33 0.00 0.00 58.87 57.52 1o5p n SER 14 Cb 0.96 -2.28 -0.08 0.00 -0.75 0.00 0.00 64.21 62.06 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 -1.25 1.74 0.00 -3.46 5.75 -1.26 -1.95 116.55 116.13 1o5p n ASP 15 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 1o5p n ASP 15 Cb 0.07 -1.25 0.00 0.00 -1.03 0.00 0.00 41.12 38.91 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 6.46 1.55 1.02 6.12 0.00 -1.26 -5.05 105.19 114.02 1o5p n GLY 16 Ca 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.66 2.61 5.66 -0.82 -4.96 114.28 111.65 1o5p n THR 17 Ca 0.00 -0.55 -0.22 0.00 -3.05 0.00 0.00 64.05 60.22 1o5p n THR 17 Cb 0.00 -0.56 -0.15 0.00 -1.55 0.00 0.00 70.33 68.07 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 -0.44 1.13 0.20 1.08 1.01 -1.26 -2.00 120.40 120.13 1o5p s VAL 18 Ca 0.11 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.58 1o5p s VAL 18 Cb -0.01 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1o5p s VAL 18 CO 0.07 0.32 -0.12 0.68 0.00 0.00 0.00 175.10 176.05 1o5p s VAL 19 N -0.31 2.99 -0.36 2.92 -7.23 0.15 -4.76 120.40 113.78 1o5p s VAL 19 Ca 0.05 -1.84 -0.08 0.00 -1.81 0.00 0.00 61.98 58.30 1o5p s VAL 19 Cb -0.06 -2.50 0.05 0.00 0.56 0.00 0.00 36.38 34.43 1o5p s VAL 19 CO -0.00 -0.17 0.16 -0.75 -0.31 0.00 0.00 175.10 174.02 1o5p s LYS 20 N -2.97 2.65 -0.22 4.82 2.20 -0.26 -1.33 119.74 124.62 1o5p s LYS 20 Ca 0.25 -1.23 -0.06 0.00 -0.36 0.00 0.00 55.97 54.57 1o5p s LYS 20 Cb -0.08 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 1o5p s LYS 20 CO 0.15 -0.74 0.04 0.54 -0.36 0.00 0.00 175.35 174.98 1o5p s VAL 21 N 1.44 4.22 0.38 4.02 0.11 -0.80 -1.53 120.40 128.23 1o5p s VAL 21 Ca 0.00 -0.21 0.08 0.00 -2.93 0.00 0.00 61.98 58.92 1o5p s VAL 21 Cb -0.20 -2.94 -0.06 0.00 -1.53 0.00 0.00 36.38 31.64 1o5p s VAL 21 CO 0.03 0.38 0.02 0.00 -3.33 0.00 0.00 175.10 172.21 1o5p s ALA 22 N 1.27 3.21 0.01 1.54 0.00 0.35 -2.19 121.76 125.94 1o5p s ALA 22 Ca 0.04 -2.13 0.03 0.00 0.00 0.00 0.00 51.96 49.90 1o5p s ALA 22 Cb -0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1o5p s ALA 22 CO 0.03 -0.03 -0.10 0.20 0.00 0.00 0.00 175.76 175.85 1o5p s GLY 23 N -3.72 0.52 -0.13 0.00 0.00 0.32 -0.66 107.32 103.64 1o5p s GLY 23 Ca 0.35 -0.52 -0.05 0.00 0.00 0.00 0.00 44.72 44.50 1o5p s GLY 23 CO 0.19 -0.48 0.27 0.00 0.00 0.00 0.00 173.10 173.08 1o5p s ALA 24 N -0.49 -0.60 0.00 3.20 0.00 -0.26 0.24 121.76 123.86 1o5p s ALA 24 Ca 0.01 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1o5p s ALA 24 Cb -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1o5p s ALA 24 CO 0.00 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.69 1o5p n GLY 25 N 4.94 0.99 3.96 0.00 0.00 -0.95 0.12 105.19 114.25 1o5p n GLY 25 Ca -0.13 -0.51 -0.25 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 2.90 -0.88 0.99 1.43 -0.85 -1.37 118.68 120.90 1o5p s LEU 26 Ca 0.00 0.01 -0.25 0.00 -1.03 0.00 0.00 54.13 52.87 1o5p s LEU 26 Cb 0.00 -2.42 -0.21 0.00 0.03 0.00 0.00 46.19 43.59 1o5p s LEU 26 CO 0.00 -1.93 2.50 0.00 0.23 0.00 0.00 176.35 177.16 1o5p n GLN 27 N -3.02 0.25 -1.18 1.70 3.00 -1.26 -4.09 117.38 112.78 1o5p n GLN 27 Ca 0.13 -0.08 -0.19 0.00 -0.01 0.00 0.00 57.00 56.85 1o5p n GLN 27 Cb 0.60 -1.96 -0.09 0.00 0.00 0.00 0.00 30.24 28.79 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 11.19 0.38 0.00 -1.58 0.00 -1.22 -1.36 120.51 127.92 1o5p n ALA 28 Ca 0.59 -2.03 0.00 0.00 0.00 0.00 0.00 53.44 52.00 1o5p n ALA 28 Cb 0.19 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 16.87 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 0.46 2.90 0.00 0.00 0.87 -4.82 105.19 110.01 1o5p n GLY 29 Ca 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.56 -0.42 -0.06 2.61 -1.32 -0.46 -4.88 115.64 110.54 1o5p s THR 30 Ca 0.00 0.07 -0.39 0.00 -1.21 0.00 0.00 61.69 60.16 1o5p s THR 30 Cb 0.00 -0.60 -0.18 0.00 -1.51 0.00 0.00 72.50 70.21 1o5p s THR 30 CO 0.00 -0.05 1.35 0.00 -2.21 0.00 0.00 174.62 173.72 1o5p n ALA 31 N 5.34 -1.70 -2.48 11.08 0.00 -1.26 -2.70 120.51 128.79 1o5p n ALA 31 Ca -0.05 0.52 -0.30 0.00 0.00 0.00 0.00 53.44 53.61 1o5p n ALA 31 Cb 0.50 -1.99 -0.12 0.00 0.00 0.00 0.00 19.45 17.84 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 1.11 2.54 0.05 0.00 2.02 0.15 -4.40 117.35 118.82 1o5p s TYR 32 Ca 0.91 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 57.35 1o5p s TYR 32 Cb -1.13 -1.38 -0.04 0.00 -0.40 0.00 0.00 41.96 39.02 1o5p s TYR 32 CO 0.57 0.35 0.18 -0.51 -1.57 0.00 0.00 175.55 174.56 1o5p s ASP 33 N -1.94 6.18 -0.09 2.29 1.11 0.73 -2.04 116.67 122.91 1o5p s ASP 33 Ca 0.17 0.22 0.02 0.00 0.18 0.00 0.00 52.55 53.14 1o5p s ASP 33 Cb -0.11 -1.86 0.02 0.00 1.07 0.00 0.00 42.92 42.04 1o5p s ASP 33 CO 0.09 0.19 -0.13 -0.69 1.18 0.00 0.00 175.17 175.80 1o5p s VAL 34 N -1.45 1.27 0.02 -1.27 1.01 -0.94 -0.34 120.40 118.70 1o5p s VAL 34 Ca 0.32 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.51 1o5p s VAL 34 Cb -0.13 -1.17 0.10 0.00 0.00 0.00 0.00 36.38 35.18 1o5p s VAL 34 CO 0.25 0.39 1.24 -0.83 0.00 0.00 0.00 175.10 176.15 1o5p s GLY 35 N 0.95 -0.22 -0.42 4.51 0.00 -0.94 0.44 107.32 111.64 1o5p s GLY 35 Ca -0.09 0.26 -0.14 0.00 0.00 0.00 0.00 44.72 44.76 1o5p s GLY 35 CO -0.00 2.59 0.30 -0.86 0.00 0.00 0.00 173.10 175.13 1o5p s GLN 36 N -2.28 2.92 0.05 2.90 -2.07 -1.26 -2.64 119.66 117.28 1o5p s GLN 36 Ca 0.21 -1.15 0.05 0.00 -1.82 0.00 0.00 55.36 52.65 1o5p s GLN 36 Cb 0.01 -3.95 -0.02 0.00 -1.09 0.00 0.00 33.01 27.96 1o5p s GLN 36 CO -0.01 -0.82 -0.13 0.00 -1.32 0.00 0.00 175.29 173.00 1o5p s ALA 38 N -1.07 2.05 -0.35 0.00 0.00 -0.78 -1.68 121.76 119.94 1o5p s ALA 38 Ca -0.01 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 50.73 1o5p s ALA 38 Cb -0.09 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1o5p s ALA 38 CO 0.02 0.48 0.44 -1.58 0.00 0.00 0.00 175.76 175.11 1o5p s TRP 39 N -0.49 3.19 -0.81 0.00 0.51 -1.26 -1.86 118.94 118.23 1o5p s TRP 39 Ca 0.07 0.07 0.16 0.00 -2.12 0.00 0.00 56.10 54.28 1o5p s TRP 39 Cb -0.10 -2.80 0.56 0.00 -0.81 0.00 0.00 33.47 30.32 1o5p s TRP 39 CO -0.00 -0.49 1.47 1.33 -0.51 0.00 0.00 176.95 178.76 1o5p n VAL 40 N 5.33 1.74 -1.75 4.03 0.24 -0.91 -4.77 118.33 122.23 1o5p n VAL 40 Ca -0.07 -1.33 0.00 0.00 -2.04 0.00 0.00 64.34 60.90 1o5p n VAL 40 Cb 0.49 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 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 0.52 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 112.97 1o5p n ASP 41 Ca 0.21 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.35 1o5p n ASP 41 Cb 0.77 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.83 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 -2.54 3.45 0.00 -3.53 -4.23 -1.26 -2.91 115.64 104.62 1o5p s THR 42 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 1o5p s THR 42 Cb 0.00 -4.13 0.00 0.00 1.34 0.00 0.00 72.50 69.71 1o5p s THR 42 CO 0.00 -1.08 0.00 0.61 -0.54 0.00 0.00 174.62 173.61 1o5p n GLY 43 N 6.04 0.73 3.13 3.99 0.00 -1.26 -5.05 105.19 112.78 1o5p n GLY 43 Ca 0.24 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 1o5p n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o5p s VAL 44 N -2.00 2.93 -0.32 1.61 1.01 -1.15 -4.98 120.40 117.50 1o5p s VAL 44 Ca 0.00 -1.68 0.01 0.00 0.00 0.00 0.00 61.98 60.31 1o5p s VAL 44 Cb 0.00 -2.82 0.08 0.00 0.00 0.00 0.00 36.38 33.64 1o5p s VAL 44 CO 0.00 -0.31 0.03 -0.22 0.00 0.00 0.00 175.10 174.60 1o5p s LEU 45 N 1.17 4.32 -0.42 3.92 2.96 -1.26 -2.15 118.68 127.22 1o5p s LEU 45 Ca -0.00 -1.73 -0.17 0.00 -0.22 0.00 0.00 54.13 52.01 1o5p s LEU 45 Cb -0.20 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.84 1o5p s LEU 45 CO -0.03 -0.34 0.40 0.00 -1.32 0.00 0.00 176.35 175.06 1o5p s ALA 46 N 1.08 3.45 0.32 5.97 0.00 -0.78 -3.52 121.76 128.28 1o5p s ALA 46 Ca 0.02 -1.62 0.07 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 -1.57 0.28 0.00 0.00 0.00 0.00 175.76 174.42 1o5p s ASN 48 N -3.97 5.15 0.00 0.00 2.47 -0.85 -0.72 114.94 117.03 1o5p s ASN 48 Ca 0.39 0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.78 1o5p s ASN 48 Cb -0.06 -1.47 0.00 0.00 -1.45 0.00 0.00 41.25 38.27 1o5p s ASN 48 CO 0.26 0.36 0.70 -0.81 -3.72 0.00 0.00 177.10 173.90 1o5p n PRO 49 N 2.27 0.79 0.00 0.43 -0.04 -1.26 -3.34 135.00 133.85 1o5p n PRO 49 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1o5p n PRO 49 Cb 0.53 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.49 1.78 -1.49 0.55 0.00 -1.26 -4.61 120.51 115.97 1o5p n ALA 50 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1o5p n ALA 50 Cb 0.35 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.37 0.17 -4.57 0.00 5.75 -1.21 -2.32 116.55 114.00 1o5p n ASP 51 Ca 0.00 -1.64 -0.38 0.00 -0.01 0.00 0.00 54.79 52.75 1o5p n ASP 51 Cb 0.30 -0.12 -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 -0.16 2.44 0.00 2.11 0.40 -1.24 -3.07 117.98 118.46 1o5p s PHE 52 Ca 0.01 -0.71 0.00 0.00 -0.60 0.00 0.00 56.93 55.64 1o5p s PHE 52 Cb 0.01 -4.56 0.00 0.00 0.51 0.00 0.00 43.02 38.98 1o5p s PHE 52 CO 0.00 -1.83 0.00 0.45 0.70 0.00 0.00 175.22 174.55 1o5p n SER 53 N 9.95 0.00 0.00 1.36 2.88 0.17 -4.89 113.62 123.09 1o5p n SER 53 Ca 0.39 -0.98 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 1o5p n SER 53 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1o5p n SER 53 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1o5p n SER 54 N -2.93 0.00 -3.48 -3.46 2.88 -1.26 -2.21 113.62 103.16 1o5p n SER 54 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1o5p n SER 54 Cb 0.00 0.00 -0.04 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 -0.47 0.00 0.01 2.46 0.11 -0.86 -4.97 120.40 116.68 1o5p s VAL 55 Ca 0.00 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 1o5p s VAL 55 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1o5p s VAL 55 CO 0.00 0.00 0.27 -0.89 -3.33 0.00 0.00 175.10 171.15 1o5p s THR 56 N -2.38 5.30 -0.39 5.04 2.01 -1.26 0.34 115.64 124.31 1o5p s THR 56 Ca -0.05 0.15 -0.28 0.00 0.31 0.00 0.00 61.69 61.82 1o5p s THR 56 Cb -0.00 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 1o5p s THR 56 CO -0.01 0.35 1.96 0.00 -0.69 0.00 0.00 174.62 176.23 1o5p s ALA 57 N -1.31 2.55 0.00 7.40 0.00 -1.10 -4.68 121.76 124.62 1o5p s ALA 57 Ca 0.28 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1o5p s ALA 57 Cb -0.13 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 18.87 1o5p s ALA 57 CO 0.16 -3.13 0.00 -0.40 0.00 0.00 0.00 175.76 172.39 1o5p n ASP 58 N 11.70 0.00 -0.12 0.00 5.75 -1.26 0.30 116.55 132.92 1o5p n ASP 58 Ca 0.25 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.98 1o5p n ASP 58 Cb 0.48 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.59 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 -2.01 0.23 0.00 2.12 0.00 -1.92 -3.14 119.26 114.53 1o5p h ALA 59 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 54.91 54.78 1o5p h ALA 59 Cb 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1o5p h ALA 59 CO 0.00 -0.48 -2.08 -1.71 0.00 0.00 0.00 179.25 174.99 1o5p n ASN 60 N -5.33 1.82 0.00 0.00 2.85 -1.26 -4.57 115.26 108.77 1o5p n ASN 60 Ca 0.02 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 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 2.30 0.71 3.64 8.20 0.00 -1.19 -2.00 105.19 116.84 1o5p n GLY 61 Ca -0.29 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.01 5.70 -0.20 1.61 0.01 -1.25 -2.23 113.70 116.32 1o5p s SER 62 Ca 0.00 0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.31 1o5p s SER 62 Cb 0.00 -1.98 0.06 0.00 0.21 0.00 0.00 66.02 64.31 1o5p s SER 62 CO 0.00 0.16 0.06 0.00 0.41 0.00 0.00 173.24 173.87 1o5p s ALA 63 N 0.46 0.85 -0.25 1.44 0.00 0.14 -4.62 121.76 119.78 1o5p s ALA 63 Ca 0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 1o5p s ALA 63 Cb -0.12 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 1o5p s ALA 63 CO 0.00 -1.21 0.01 -1.12 0.00 0.00 0.00 175.76 173.44 1o5p s SER 64 N 1.93 4.66 -0.06 0.00 0.01 -1.26 0.12 113.70 119.10 1o5p s SER 64 Ca 0.01 -0.47 -0.05 0.00 1.31 0.00 0.00 55.95 56.74 1o5p s SER 64 Cb -0.17 -1.80 0.02 0.00 0.21 0.00 0.00 66.02 64.28 1o5p s SER 64 CO -0.10 -0.07 0.15 0.28 0.41 0.00 0.00 173.24 173.91 1o5p s THR 65 N 1.50 -0.00 -0.09 1.44 -1.32 -0.93 -5.00 115.64 111.23 1o5p s THR 65 Ca 0.05 0.02 -0.04 0.00 -1.21 0.00 0.00 61.69 60.50 1o5p s THR 65 Cb -0.15 -0.22 -0.04 0.00 -1.51 0.00 0.00 72.50 70.58 1o5p s THR 65 CO -0.01 0.01 0.08 -0.94 -2.21 0.00 0.00 174.62 171.55 1o5p s SER 66 N 0.18 5.86 0.13 8.08 1.04 -1.26 -1.91 113.70 125.82 1o5p s SER 66 Ca -0.01 0.30 -0.04 0.00 0.48 0.00 0.00 55.95 56.69 1o5p s SER 66 Cb -0.02 -1.79 -0.03 0.00 0.10 0.00 0.00 66.02 64.29 1o5p s SER 66 CO -0.00 0.38 0.12 -1.48 0.98 0.00 0.00 173.24 173.24 1o5p s LEU 67 N -1.08 1.60 -0.22 2.42 0.05 -0.45 -4.95 118.68 116.06 1o5p s LEU 67 Ca 0.16 -1.03 -0.13 0.00 0.05 0.00 0.00 54.13 53.18 1o5p s LEU 67 Cb -0.12 0.61 -0.05 0.00 -2.05 0.00 0.00 46.19 44.59 1o5p s LEU 67 CO 0.05 -0.76 0.26 0.42 -0.55 0.00 0.00 176.35 175.77 1o5p s THR 68 N -3.99 5.29 0.01 5.48 -4.23 -0.98 0.30 115.64 117.53 1o5p s THR 68 Ca 0.18 0.41 0.02 0.00 -1.18 0.00 0.00 61.69 61.11 1o5p s THR 68 Cb 0.06 -3.60 -0.01 0.00 1.34 0.00 0.00 72.50 70.29 1o5p s THR 68 CO -0.02 0.31 -0.06 0.68 -0.54 0.00 0.00 174.62 175.00 1o5p s VAL 69 N 1.11 0.41 0.22 2.29 -7.23 -0.84 -4.14 120.40 112.22 1o5p s VAL 69 Ca 0.12 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 1o5p s VAL 69 Cb -0.14 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.40 1o5p s VAL 69 CO 0.06 -0.08 0.28 -2.11 -0.31 0.00 0.00 175.10 172.94 1o5p n ARG 70 N 2.42 0.41 0.00 4.82 1.85 -1.26 -4.25 116.66 120.65 1o5p n ARG 70 Ca -0.16 -1.85 0.00 0.00 -1.00 0.00 0.00 57.85 54.83 1o5p n ARG 70 Cb 0.57 1.72 0.00 0.00 -1.05 0.00 0.00 32.46 33.70 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 -0.38 0.00 -1.72 2.89 1.85 -1.26 -4.54 116.66 113.50 1o5p n ARG 71 Ca 0.01 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.45 1o5p n ARG 71 Cb 0.38 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.78 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 3.03 -3.64 2.89 7.64 -1.26 -1.94 113.62 120.35 1o5p n SER 72 Ca 0.00 1.20 -0.10 0.00 1.01 0.00 0.00 58.87 60.98 1o5p n SER 72 Cb 0.00 -1.53 -0.07 0.00 -1.01 0.00 0.00 64.21 61.60 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 -1.12 -0.79 -0.28 1.43 -0.71 -0.66 -4.82 117.98 111.03 1o5p s PHE 73 Ca 0.56 1.77 -0.30 0.00 -1.04 0.00 0.00 56.93 57.91 1o5p s PHE 73 Cb -0.53 0.41 -0.13 0.00 -1.21 0.00 0.00 43.02 41.55 1o5p s PHE 73 CO 0.62 -0.39 1.00 0.39 -1.34 0.00 0.00 175.22 175.50 1o5p n GLU 74 N 3.20 0.00 -1.44 1.99 -0.58 -1.26 -1.77 120.64 120.78 1o5p n GLU 74 Ca -0.16 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.31 1o5p n GLU 74 Cb 0.57 -0.98 -0.03 0.00 -0.57 0.00 0.00 31.44 30.43 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 2.38 4.50 3.20 0.62 0.00 -0.43 -2.70 105.19 112.76 1o5p n GLY 75 Ca 0.19 -1.85 -0.58 0.00 0.00 0.00 0.00 46.02 43.78 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 0.57 1.34 -3.05 1.61 3.72 0.11 -2.26 117.46 119.50 1o5p n PHE 76 Ca 0.47 0.88 -0.40 0.00 -0.05 0.00 0.00 57.45 58.35 1o5p n PHE 76 Cb 0.53 -2.06 -0.05 0.00 -0.94 0.00 0.00 39.48 36.96 1o5p n PHE 76 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1o5p s LEU 77 N 4.05 4.21 -0.30 4.37 2.96 -0.65 -1.95 118.68 131.38 1o5p s LEU 77 Ca 1.02 1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 55.94 1o5p s LEU 77 Cb -1.37 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 42.27 1o5p s LEU 77 CO 0.68 -0.25 1.38 0.33 -1.32 0.00 0.00 176.35 177.17 1o5p n PHE 78 N 4.65 0.44 -1.97 5.38 7.35 -1.23 -2.91 117.46 129.17 1o5p n PHE 78 Ca -0.00 -0.95 -0.00 0.00 -0.76 0.00 0.00 57.45 55.74 1o5p n PHE 78 Cb 0.50 -0.95 -0.00 0.00 0.35 0.00 0.00 39.48 39.38 1o5p n PHE 78 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1o5p n ASP 79 N 4.46 -0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.56 1o5p n ASP 79 Ca 0.16 -0.97 0.00 0.00 -1.51 0.00 0.00 54.79 52.47 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 2.76 3.94 0.27 0.00 -1.15 -4.99 105.19 106.02 1o5p n GLY 80 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1o5p n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o5p s THR 81 N -1.04 5.10 -0.10 2.61 -4.23 -1.26 -4.96 115.64 111.75 1o5p s THR 81 Ca 0.00 -0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.07 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 -0.53 -0.01 0.00 -0.54 0.00 0.00 174.62 173.54 1o5p s ARG 82 N -4.23 3.15 0.30 3.99 1.70 -1.26 -1.64 118.95 120.95 1o5p s ARG 82 Ca 0.40 -0.43 0.24 0.00 -0.47 0.00 0.00 55.73 55.47 1o5p s ARG 82 Cb -0.10 -2.83 0.32 0.00 -0.57 0.00 0.00 34.95 31.78 1o5p s ARG 82 CO 0.35 0.59 1.45 2.35 -1.08 0.00 0.00 175.30 178.97 1o5p h TRP 83 N 5.53 0.00 0.00 5.89 7.01 -1.77 -3.45 115.95 129.15 1o5p h TRP 83 Ca -0.46 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.54 1o5p h TRP 83 Cb 1.19 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.25 1o5p h TRP 83 CO 0.60 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.66 1o5p n GLY 84 N 1.19 1.37 3.58 2.65 0.00 -1.26 -4.90 105.19 107.82 1o5p n GLY 84 Ca 0.03 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.49 3.22 -0.56 2.61 -4.23 -1.26 -1.31 115.64 112.61 1o5p s THR 85 Ca 0.00 0.20 -0.28 0.00 -1.18 0.00 0.00 61.69 60.43 1o5p s THR 85 Cb 0.00 -3.36 0.03 0.00 1.34 0.00 0.00 72.50 70.51 1o5p s THR 85 CO 0.00 -0.27 1.24 -0.69 -0.54 0.00 0.00 174.62 174.36 1o5p s VAL 86 N 8.65 3.98 -0.27 2.29 1.01 -0.73 -4.70 120.40 130.64 1o5p s VAL 86 Ca 0.88 0.89 -0.28 0.00 0.00 0.00 0.00 61.98 63.47 1o5p s VAL 86 Cb -0.24 -4.64 -0.03 0.00 0.00 0.00 0.00 36.38 31.47 1o5p s VAL 86 CO 0.31 -1.26 1.89 -1.81 0.00 0.00 0.00 175.10 174.23 1o5p s ASP 87 N 3.23 5.88 0.00 3.32 1.11 -1.26 -1.66 116.67 127.29 1o5p s ASP 87 Ca 0.46 1.57 0.07 0.00 0.18 0.00 0.00 52.55 54.82 1o5p s ASP 87 Cb -0.08 -2.52 0.34 0.00 1.07 0.00 0.00 42.92 41.72 1o5p s ASP 87 CO 0.26 -1.68 1.03 0.00 1.18 0.00 0.00 175.17 175.97 1o5p n THR 89 N -1.25 0.00 -0.05 0.00 -2.24 -1.26 -4.13 114.28 105.35 1o5p n THR 89 Ca 0.03 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 1o5p n THR 89 Cb 0.05 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.31 0.52 -3.54 4.28 -2.24 -0.21 -5.06 114.28 107.71 1o5p n THR 90 Ca 0.20 -0.13 -0.24 0.00 -2.27 0.00 0.00 64.05 61.61 1o5p n THR 90 Cb 0.27 -1.63 0.03 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 s ALA 91 N -2.17 4.62 -0.31 6.98 0.00 -1.19 -5.09 121.76 124.59 1o5p s ALA 91 Ca -0.13 -1.59 -0.10 0.00 0.00 0.00 0.00 51.96 50.14 1o5p s ALA 91 Cb 0.05 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 1o5p s ALA 91 CO 0.16 -0.68 0.16 0.00 0.00 0.00 0.00 175.76 175.40 1o5p s ALA 92 N -2.77 3.31 -0.26 0.00 0.00 -1.26 -4.71 121.76 116.06 1o5p s ALA 92 Ca 0.45 -1.38 -0.14 0.00 0.00 0.00 0.00 51.96 50.89 1o5p s ALA 92 Cb -0.04 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 1o5p s ALA 92 CO 0.29 -0.90 0.32 0.00 0.00 0.00 0.00 175.76 175.47 1o5p s GLN 94 N 1.83 3.42 -0.34 0.00 -0.21 -0.68 -2.53 119.66 121.16 1o5p s GLN 94 Ca 0.13 -0.33 -0.09 0.00 0.02 0.00 0.00 55.36 55.09 1o5p s GLN 94 Cb -0.15 -3.09 0.02 0.00 1.00 0.00 0.00 33.01 30.79 1o5p s GLN 94 CO 0.09 0.67 0.16 0.08 -2.12 0.00 0.00 175.29 174.18 1o5p s VAL 95 N -1.32 4.38 0.00 1.09 1.01 0.12 -2.19 120.40 123.48 1o5p s VAL 95 Ca 0.27 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1o5p s VAL 95 Cb -0.13 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1o5p s VAL 95 CO 0.19 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1o5p n GLY 96 N 4.95 2.76 3.49 4.51 0.00 -1.08 0.24 105.19 120.05 1o5p n GLY 96 Ca -0.13 -1.25 -0.26 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.64 0.99 4.32 -1.24 -2.20 117.00 115.22 1o5p n LEU 97 Ca 0.00 -2.75 -0.02 0.00 -0.02 0.00 0.00 56.01 53.22 1o5p n LEU 97 Cb 0.00 0.06 -0.01 0.00 -1.62 0.00 0.00 43.42 41.85 1o5p n LEU 97 CO 0.00 -0.52 0.91 -0.94 -1.22 0.00 0.00 177.39 175.61 1o5p s SER 98 N -3.89 -0.14 0.00 -1.43 1.04 0.54 -4.32 113.70 105.50 1o5p s SER 98 Ca 0.21 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1o5p s SER 98 Cb -0.02 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1o5p s SER 98 CO 0.13 -0.51 0.00 -0.90 0.98 0.00 0.00 173.24 172.94 1o5p n ASP 99 N -0.40 1.39 -1.41 7.02 5.75 -1.23 0.26 116.55 127.93 1o5p n ASP 99 Ca -0.06 -0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.60 1o5p n ASP 99 Cb 0.61 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.81 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 -4.66 120.51 118.16 1o5p n ALA 100 Ca 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 53.44 49.86 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 -0.89 1.96 0.00 0.00 0.00 -1.26 -5.02 120.51 115.30 1o5p n ALA 101 Ca 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1o5p n ALA 101 Cb 0.85 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.58 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 3.02 0.91 2.95 0.00 0.00 -1.26 -5.14 105.19 105.67 1o5p n GLY 102 Ca -0.03 -0.07 -0.06 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 -1.74 0.00 1.61 5.03 -1.26 -4.99 115.26 113.92 1o5p n ASN 103 Ca 0.00 -2.17 0.00 0.00 0.87 0.00 0.00 54.58 53.28 1o5p n ASN 103 Cb 0.00 2.88 0.00 0.00 -1.02 0.00 0.00 39.78 41.64 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 2.74 2.92 7.41 0.00 -1.26 -3.53 105.19 113.03 1o5p n GLY 104 Ca -0.06 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.79 -2.29 1.61 -0.01 -1.26 -4.91 135.00 126.35 1o5p n PRO 105 Ca 0.00 -0.53 -0.20 0.00 -0.01 0.00 0.00 63.50 62.76 1o5p n PRO 105 Cb 0.00 -1.34 0.10 0.00 -0.01 0.00 0.00 33.50 32.26 1o5p n PRO 105 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1o5p n GLU 106 N -0.85 0.01 -4.48 -0.52 1.02 -1.26 -4.66 120.64 109.89 1o5p n GLU 106 Ca 0.05 -2.33 -0.25 0.00 -0.02 0.00 0.00 57.16 54.61 1o5p n GLU 106 Cb 0.22 -0.56 -0.10 0.00 -0.02 0.00 0.00 31.44 30.98 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 -4.70 2.08 -0.20 0.62 0.00 -1.26 -3.72 107.32 100.14 1o5p s GLY 107 Ca 0.56 -2.00 -0.09 0.00 0.00 0.00 0.00 44.72 43.20 1o5p s GLY 107 CO 0.37 -1.98 0.10 0.14 0.00 0.00 0.00 173.10 171.73 1o5p s VAL 108 N -2.56 5.05 -0.14 1.40 1.01 0.14 -4.73 120.40 120.56 1o5p s VAL 108 Ca 0.32 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1o5p s VAL 108 Cb -0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1o5p s VAL 108 CO 0.17 0.43 1.44 0.00 0.00 0.00 0.00 175.10 177.14 1o5p s ALA 109 N 0.52 3.58 0.49 5.51 0.00 -1.26 0.13 121.76 130.73 1o5p s ALA 109 Ca 0.05 0.59 0.06 0.00 0.00 0.00 0.00 51.96 52.67 1o5p s ALA 109 Cb -0.12 -3.70 0.03 0.00 0.00 0.00 0.00 23.12 19.33 1o5p s ALA 109 CO 0.00 -1.38 0.67 0.96 0.00 0.00 0.00 175.76 176.01 1o5p s ILE 110 N 3.95 2.76 0.06 0.00 -4.36 -1.05 -4.85 121.20 117.72 1o5p s ILE 110 Ca 0.63 -0.90 -0.00 0.00 -0.26 0.00 0.00 60.65 60.12 1o5p s ILE 110 Cb -0.26 -2.86 -0.04 0.00 1.25 0.00 0.00 42.46 40.55 1o5p s ILE 110 CO 0.22 0.00 -0.04 -0.55 0.24 0.00 0.00 174.94 174.81 1o5p s SER 111 N -4.43 0.67 -0.27 4.36 0.15 0.19 -4.69 113.70 109.67 1o5p s SER 111 Ca 0.57 -0.98 -0.02 0.00 0.70 0.00 0.00 55.95 56.21 1o5p s SER 111 Cb -0.09 0.17 0.09 0.00 -1.71 0.00 0.00 66.02 64.47 1o5p s SER 111 CO 0.36 -0.55 0.09 -0.36 1.20 0.00 0.00 173.24 173.97 1o5p s PHE 112 N -3.74 1.07 -2.00 3.44 0.08 -1.26 -3.08 117.98 112.49 1o5p s PHE 112 Ca 0.07 -1.19 0.24 0.00 0.12 0.00 0.00 56.93 56.17 1o5p s PHE 112 Cb 0.07 -1.25 1.43 0.00 -0.57 0.00 0.00 43.02 42.70 1o5p s PHE 112 CO -0.08 -0.77 1.80 0.27 -0.10 0.00 0.00 175.22 176.33