#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 2.15 0.90 0.00 0.00 -1.26 -5.01 121.76 118.55 1o5p s ALA 2 Ca 0.00 -1.52 -0.11 0.00 0.00 0.00 0.00 51.96 50.33 1o5p s ALA 2 Cb 0.00 -0.23 0.13 0.00 0.00 0.00 0.00 23.12 23.02 1o5p s ALA 2 CO 0.00 0.30 1.13 -2.30 0.00 0.00 0.00 175.76 174.89 1o5p n PRO 3 N 0.33 -0.36 -1.90 0.00 -0.02 -0.42 -4.29 135.00 128.35 1o5p n PRO 3 Ca -0.13 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1o5p n PRO 3 Cb 0.56 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1o5p n PRO 3 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1o5p n THR 4 N -4.08 0.00 -3.64 3.45 5.66 0.29 -4.86 114.28 111.10 1o5p n THR 4 Ca 0.12 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.06 1o5p n THR 4 Cb 0.52 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.23 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 -2.01 -0.35 1.79 0.00 -1.26 -0.63 121.76 118.30 1o5p s ALA 5 Ca 0.00 2.31 -0.06 0.00 0.00 0.00 0.00 51.96 54.21 1o5p s ALA 5 Cb 0.00 -1.51 0.05 0.00 0.00 0.00 0.00 23.12 21.66 1o5p s ALA 5 CO 0.00 -0.36 0.11 -0.08 0.00 0.00 0.00 175.76 175.43 1o5p s THR 6 N 1.41 3.68 -0.05 0.00 -1.32 0.05 -4.84 115.64 114.57 1o5p s THR 6 Ca -0.09 -1.26 0.05 0.00 -1.21 0.00 0.00 61.69 59.18 1o5p s THR 6 Cb -0.05 -3.13 -0.02 0.00 -1.51 0.00 0.00 72.50 67.79 1o5p s THR 6 CO -0.16 -0.24 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.13 1o5p s VAL 7 N 1.36 2.65 -0.24 5.08 1.01 -1.26 -0.31 120.40 128.70 1o5p s VAL 7 Ca -0.01 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 1o5p s VAL 7 Cb -0.20 -2.00 0.17 0.00 0.00 0.00 0.00 36.38 34.34 1o5p s VAL 7 CO 0.02 0.58 1.21 -0.89 0.00 0.00 0.00 175.10 176.02 1o5p s THR 8 N -0.58 0.00 0.53 3.92 2.01 0.04 -4.50 115.64 117.06 1o5p s THR 8 Ca 0.08 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.90 1o5p s THR 8 Cb -0.11 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.33 1o5p s THR 8 CO 0.01 0.00 1.03 -2.16 -0.69 0.00 0.00 174.62 172.81 1o5p s PRO 9 N -0.95 3.66 0.08 4.92 0.05 -1.26 -0.78 135.00 140.72 1o5p s PRO 9 Ca 0.04 1.22 0.18 0.00 0.05 0.00 0.00 61.00 62.50 1o5p s PRO 9 Cb -0.01 -2.08 -0.12 0.00 0.05 0.00 0.00 34.50 32.33 1o5p s PRO 9 CO -0.05 -0.53 0.83 0.43 0.05 0.00 0.00 177.00 177.73 1o5p n SER 10 N -1.45 0.80 -4.19 6.66 7.64 -1.26 -4.75 113.62 117.06 1o5p n SER 10 Ca 0.08 0.34 -0.11 0.00 1.01 0.00 0.00 58.87 60.19 1o5p n SER 10 Cb 0.53 0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 63.95 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 -5.64 0.66 -0.21 6.43 0.01 -1.26 0.55 113.70 114.25 1o5p s SER 11 Ca -0.03 -1.21 -0.01 0.00 1.31 0.00 0.00 55.95 56.01 1o5p s SER 11 Cb 0.09 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1o5p s SER 11 CO 0.81 -0.68 0.14 0.61 0.41 0.00 0.00 173.24 174.54 1o5p n GLY 12 N -0.17 0.64 0.13 3.44 0.00 -1.12 -4.90 105.19 103.21 1o5p n GLY 12 Ca -0.05 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.02 2.41 -1.16 0.99 4.77 -1.26 -5.05 117.00 116.68 1o5p n LEU 13 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 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 0.09 0.68 -0.35 -0.24 -1.33 0.00 0.00 177.39 176.24 1o5p n SER 14 N -3.80 -6.34 -4.47 -1.43 2.88 -1.26 -3.81 113.62 95.39 1o5p n SER 14 Ca -0.37 1.18 -0.47 0.00 -1.33 0.00 0.00 58.87 57.88 1o5p n SER 14 Cb 0.92 -3.37 -0.07 0.00 -0.75 0.00 0.00 64.21 60.94 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 -1.74 1.94 0.00 -3.46 5.75 -1.26 -2.03 116.55 115.75 1o5p n ASP 15 Ca 0.00 0.22 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 1o5p n ASP 15 Cb 0.21 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.02 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 6.44 1.51 1.58 6.12 0.00 -1.26 -5.05 105.19 114.53 1o5p n GLY 16 Ca 0.44 0.00 -0.09 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 -0.53 0.00 -4.93 2.61 5.66 -0.86 -4.97 114.28 111.26 1o5p n THR 17 Ca 0.00 -0.83 -0.27 0.00 -3.05 0.00 0.00 64.05 59.90 1o5p n THR 17 Cb 0.00 -0.60 -0.16 0.00 -1.55 0.00 0.00 70.33 68.02 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 -0.74 1.56 0.19 1.08 1.01 -1.26 -2.19 120.40 120.05 1o5p s VAL 18 Ca 0.20 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.47 1o5p s VAL 18 Cb -0.02 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1o5p s VAL 18 CO 0.13 0.44 -0.08 0.68 0.00 0.00 0.00 175.10 176.27 1o5p s VAL 19 N -0.08 3.25 -0.32 2.92 -7.23 0.15 -4.73 120.40 114.35 1o5p s VAL 19 Ca -0.02 -1.67 -0.03 0.00 -1.81 0.00 0.00 61.98 58.45 1o5p s VAL 19 Cb -0.11 -2.62 0.05 0.00 0.56 0.00 0.00 36.38 34.26 1o5p s VAL 19 CO 0.02 -0.13 0.05 -0.75 -0.31 0.00 0.00 175.10 173.98 1o5p s LYS 20 N -2.91 2.46 -0.08 4.82 2.36 0.04 -0.91 119.74 125.52 1o5p s LYS 20 Ca 0.26 -1.28 -0.03 0.00 -2.55 0.00 0.00 55.97 52.37 1o5p s LYS 20 Cb -0.09 -3.31 -0.04 0.00 -1.05 0.00 0.00 37.83 33.35 1o5p s LYS 20 CO 0.16 -0.67 0.06 0.54 1.55 0.00 0.00 175.35 176.98 1o5p s VAL 21 N 1.30 4.73 0.09 4.02 0.11 -0.85 -0.78 120.40 129.02 1o5p s VAL 21 Ca -0.03 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 1o5p s VAL 21 Cb -0.20 -3.04 -0.04 0.00 -1.53 0.00 0.00 36.38 31.56 1o5p s VAL 21 CO 0.00 0.56 -0.04 0.00 -3.33 0.00 0.00 175.10 172.30 1o5p s ALA 22 N -0.98 0.81 0.03 1.54 0.00 0.58 -1.43 121.76 122.31 1o5p s ALA 22 Ca 0.16 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 50.85 1o5p s ALA 22 Cb -0.12 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1o5p s ALA 22 CO 0.05 -0.31 -0.16 0.20 0.00 0.00 0.00 175.76 175.54 1o5p s GLY 23 N -3.00 0.86 -0.11 0.00 0.00 0.28 -0.77 107.32 104.58 1o5p s GLY 23 Ca 0.12 -0.85 -0.05 0.00 0.00 0.00 0.00 44.72 43.94 1o5p s GLY 23 CO -0.06 -0.80 0.24 0.00 0.00 0.00 0.00 173.10 172.48 1o5p s ALA 24 N -0.76 -0.50 0.00 3.20 0.00 0.19 0.13 121.76 124.03 1o5p s ALA 24 Ca 0.04 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1o5p s ALA 24 Cb -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1o5p s ALA 24 CO 0.01 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1o5p n GLY 25 N 4.71 0.95 3.95 0.00 0.00 -1.03 0.10 105.19 113.88 1o5p n GLY 25 Ca -0.17 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 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 3.01 -0.81 0.99 1.43 -0.94 -1.30 118.68 121.06 1o5p s LEU 26 Ca 0.00 0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.98 1o5p s LEU 26 Cb 0.00 -2.88 -0.17 0.00 0.03 0.00 0.00 46.19 43.17 1o5p s LEU 26 CO 0.00 -1.48 2.58 0.00 0.23 0.00 0.00 176.35 177.68 1o5p n GLN 27 N -2.71 0.34 -1.34 1.70 3.00 -1.26 -3.95 117.38 113.16 1o5p n GLN 27 Ca 0.09 0.01 -0.15 0.00 -0.01 0.00 0.00 57.00 56.94 1o5p n GLN 27 Cb 0.60 -2.08 -0.10 0.00 0.00 0.00 0.00 30.24 28.66 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 11.86 0.30 0.00 -1.58 0.00 -1.22 -1.14 120.51 128.73 1o5p n ALA 28 Ca 0.56 -2.04 0.00 0.00 0.00 0.00 0.00 53.44 51.97 1o5p n ALA 28 Cb 0.18 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 16.79 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 5.66 0.48 2.60 0.00 0.00 0.94 -4.84 105.19 110.03 1o5p n GLY 29 Ca 0.34 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.08 1o5p n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o5p s THR 30 N -0.61 0.06 -0.32 2.61 -4.23 -0.29 -4.87 115.64 107.98 1o5p s THR 30 Ca 0.00 -0.55 -0.36 0.00 -1.18 0.00 0.00 61.69 59.60 1o5p s THR 30 Cb 0.00 -0.88 -0.12 0.00 1.34 0.00 0.00 72.50 72.84 1o5p s THR 30 CO 0.00 -0.49 2.12 0.00 -0.54 0.00 0.00 174.62 175.71 1o5p n ALA 31 N 5.21 0.92 -2.73 3.99 0.00 -1.26 -2.71 120.51 123.92 1o5p n ALA 31 Ca -0.06 0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 1o5p n ALA 31 Cb 0.45 -2.50 -0.06 0.00 0.00 0.00 0.00 19.45 17.34 1o5p n ALA 31 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1o5p s TYR 32 N 6.64 2.94 0.30 0.00 2.02 0.13 -4.69 117.35 124.69 1o5p s TYR 32 Ca 1.07 -0.13 0.06 0.00 -0.37 0.00 0.00 57.07 57.71 1o5p s TYR 32 Cb -0.88 -1.37 -0.02 0.00 -0.40 0.00 0.00 41.96 39.30 1o5p s TYR 32 CO 0.51 0.54 0.39 0.34 -1.57 0.00 0.00 175.55 175.77 1o5p s ASP 33 N -3.41 5.97 -0.09 2.29 2.15 0.76 -1.42 116.67 122.90 1o5p s ASP 33 Ca 0.31 -0.15 -0.04 0.00 0.43 0.00 0.00 52.55 53.10 1o5p s ASP 33 Cb -0.08 -1.41 0.05 0.00 -0.30 0.00 0.00 42.92 41.17 1o5p s ASP 33 CO 0.22 -0.28 0.17 0.54 -0.17 0.00 0.00 175.17 175.65 1o5p s VAL 34 N -2.13 -0.28 0.18 1.11 0.11 -0.88 -1.10 120.40 117.42 1o5p s VAL 34 Ca 0.40 0.32 -0.16 0.00 -2.93 0.00 0.00 61.98 59.61 1o5p s VAL 34 Cb -0.09 -0.33 0.06 0.00 -1.53 0.00 0.00 36.38 34.49 1o5p s VAL 34 CO 0.29 0.12 0.79 0.61 -3.33 0.00 0.00 175.10 173.59 1o5p n GLY 35 N 5.33 0.83 3.40 6.54 0.00 -0.90 -0.29 105.19 120.09 1o5p n GLY 35 Ca -0.05 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.05 2.88 0.07 1.61 -2.07 -1.26 -2.54 119.66 116.30 1o5p s GLN 36 Ca 0.17 -1.14 0.05 0.00 -1.82 0.00 0.00 55.36 52.62 1o5p s GLN 36 Cb -0.03 -3.90 -0.03 0.00 -1.09 0.00 0.00 33.01 27.96 1o5p s GLN 36 CO 0.05 -0.80 -0.14 0.00 -1.32 0.00 0.00 175.29 173.09 1o5p s ALA 38 N -1.24 1.84 -0.35 0.00 0.00 -0.79 -1.73 121.76 119.49 1o5p s ALA 38 Ca -0.02 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.85 1o5p s ALA 38 Cb -0.10 -0.51 -0.01 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 -0.35 3.19 -0.90 0.00 0.51 -1.26 -1.84 118.94 118.30 1o5p s TRP 39 Ca 0.04 0.06 0.16 0.00 -2.12 0.00 0.00 56.10 54.25 1o5p s TRP 39 Cb -0.10 -2.83 0.60 0.00 -0.81 0.00 0.00 33.47 30.33 1o5p s TRP 39 CO 0.01 -0.51 1.51 1.33 -0.51 0.00 0.00 176.95 178.78 1o5p n VAL 40 N 5.36 1.76 -1.42 4.03 0.24 -0.90 -4.76 118.33 122.64 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 0.13 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 0.68 0.00 -4.55 -1.34 9.92 -1.26 -4.95 116.55 115.04 1o5p n ASP 41 Ca 0.22 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 54.10 1o5p n ASP 41 Cb 0.80 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.25 1o5p n ASP 41 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1o5p s THR 42 N -2.43 3.45 0.00 -3.53 -1.32 -1.26 -2.85 115.64 107.70 1o5p s THR 42 Ca 0.00 0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 1o5p s THR 42 Cb 0.00 -4.17 0.00 0.00 -1.51 0.00 0.00 72.50 66.82 1o5p s THR 42 CO 0.00 -1.13 0.00 0.61 -2.21 0.00 0.00 174.62 171.89 1o5p n GLY 43 N 5.75 0.71 3.09 6.08 0.00 -1.26 -5.05 105.19 114.52 1o5p n GLY 43 Ca 0.19 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 2.59 -0.32 1.61 1.01 -1.13 -4.97 120.40 117.18 1o5p s VAL 44 Ca 0.00 -1.82 0.01 0.00 0.00 0.00 0.00 61.98 60.18 1o5p s VAL 44 Cb 0.00 -2.66 0.08 0.00 0.00 0.00 0.00 36.38 33.81 1o5p s VAL 44 CO 0.00 -0.30 0.03 -0.22 0.00 0.00 0.00 175.10 174.61 1o5p s LEU 45 N 1.10 4.33 -0.43 3.92 2.96 -1.26 -2.11 118.68 127.19 1o5p s LEU 45 Ca -0.00 -1.75 -0.17 0.00 -0.22 0.00 0.00 54.13 51.99 1o5p s LEU 45 Cb -0.20 -1.66 0.03 0.00 0.50 0.00 0.00 46.19 44.85 1o5p s LEU 45 CO -0.05 -0.34 0.40 0.00 -1.32 0.00 0.00 176.35 175.05 1o5p s ALA 46 N 1.07 3.45 0.30 5.97 0.00 -0.76 -3.54 121.76 128.24 1o5p s ALA 46 Ca 0.02 -1.64 0.08 0.00 0.00 0.00 0.00 51.96 50.41 1o5p s ALA 46 Cb -0.20 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1o5p s ALA 46 CO -0.05 -1.59 0.21 0.00 0.00 0.00 0.00 175.76 174.34 1o5p s ASN 48 N -3.89 5.37 0.00 0.00 2.47 -0.93 -0.72 114.94 117.25 1o5p s ASN 48 Ca 0.37 0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.74 1o5p s ASN 48 Cb -0.06 -1.75 0.00 0.00 -1.45 0.00 0.00 41.25 37.99 1o5p s ASN 48 CO 0.25 0.27 0.41 -0.81 -3.72 0.00 0.00 177.10 173.50 1o5p n PRO 49 N 2.86 0.64 -0.04 0.43 -0.04 -1.26 -3.00 135.00 134.59 1o5p n PRO 49 Ca -0.18 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.30 1o5p n PRO 49 Cb 0.53 -1.28 0.04 0.00 -0.04 0.00 0.00 33.50 32.75 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 0.33 2.05 -1.36 0.55 0.00 -1.26 -4.50 120.51 116.32 1o5p n ALA 50 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1o5p n ALA 50 Cb 0.21 -0.10 0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 0.22 -4.56 0.00 9.92 -1.16 -2.66 116.55 117.93 1o5p n ASP 51 Ca 0.03 -1.56 -0.41 0.00 -0.53 0.00 0.00 54.79 52.31 1o5p n ASP 51 Cb 0.31 -0.10 -0.03 0.00 -0.64 0.00 0.00 41.12 40.66 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 -0.19 2.57 0.00 1.24 0.40 -1.25 -3.05 117.98 117.70 1o5p s PHE 52 Ca 0.01 -0.96 0.00 0.00 -0.60 0.00 0.00 56.93 55.39 1o5p s PHE 52 Cb 0.01 -4.70 0.00 0.00 0.51 0.00 0.00 43.02 38.84 1o5p s PHE 52 CO 0.00 -1.92 0.00 0.43 0.70 0.00 0.00 175.22 174.44 1o5p n SER 53 N 8.79 0.85 0.00 1.36 7.64 0.60 -4.92 113.62 127.93 1o5p n SER 53 Ca 0.35 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.53 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 -1.51 0.00 -3.58 6.43 2.88 -1.26 -2.06 113.62 114.51 1o5p n SER 54 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 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 -0.83 0.04 -0.06 2.46 0.11 -0.51 -4.96 120.40 116.65 1o5p s VAL 55 Ca 0.00 -0.32 -0.07 0.00 -2.93 0.00 0.00 61.98 58.66 1o5p s VAL 55 Cb 0.00 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1o5p s VAL 55 CO 0.00 -0.18 0.21 -0.89 -3.33 0.00 0.00 175.10 170.91 1o5p s THR 56 N -2.89 5.40 -0.33 5.04 2.01 -1.26 0.17 115.64 123.77 1o5p s THR 56 Ca -0.03 0.21 -0.27 0.00 0.31 0.00 0.00 61.69 61.91 1o5p s THR 56 Cb -0.00 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 1o5p s THR 56 CO -0.05 0.51 2.20 0.00 -0.69 0.00 0.00 174.62 176.58 1o5p s ALA 57 N -1.14 2.41 0.00 7.40 0.00 -1.10 -4.71 121.76 124.62 1o5p s ALA 57 Ca 0.21 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1o5p s ALA 57 Cb -0.13 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 18.84 1o5p s ALA 57 CO 0.10 -3.30 0.00 -0.40 0.00 0.00 0.00 175.76 172.17 1o5p n ASP 58 N 12.74 0.00 -0.11 0.00 5.75 -1.26 0.32 116.55 133.98 1o5p n ASP 58 Ca 0.30 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 55.03 1o5p n ASP 58 Cb 0.48 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.58 1o5p n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1o5p h ALA 59 N -2.00 0.15 0.00 2.12 0.00 -1.92 -3.13 119.26 114.48 1o5p h ALA 59 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 54.91 54.74 1o5p h ALA 59 Cb 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1o5p h ALA 59 CO 0.00 -0.52 -2.18 -1.71 0.00 0.00 0.00 179.25 174.85 1o5p n ASN 60 N -5.34 1.55 0.00 0.00 2.85 -1.26 -4.54 115.26 108.51 1o5p n ASN 60 Ca 0.02 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1o5p n ASN 60 Cb 0.25 0.34 0.00 0.00 1.24 0.00 0.00 39.78 41.62 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 2.20 0.64 3.62 8.20 0.00 -1.19 -2.22 105.19 116.45 1o5p n GLY 61 Ca -0.32 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.91 5.77 -0.19 1.61 0.01 -1.25 -2.45 113.70 116.29 1o5p s SER 62 Ca 0.00 0.06 -0.04 0.00 1.31 0.00 0.00 55.95 57.29 1o5p s SER 62 Cb 0.00 -2.02 0.06 0.00 0.21 0.00 0.00 66.02 64.28 1o5p s SER 62 CO 0.00 0.11 0.06 0.00 0.41 0.00 0.00 173.24 173.82 1o5p s ALA 63 N 0.77 0.79 -0.17 1.44 0.00 0.12 -4.56 121.76 120.15 1o5p s ALA 63 Ca 0.05 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1o5p s ALA 63 Cb -0.13 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.86 1o5p s ALA 63 CO 0.02 -1.21 -0.19 -1.12 0.00 0.00 0.00 175.76 173.26 1o5p s SER 64 N 1.96 3.04 -0.01 0.00 0.01 -1.26 0.10 113.70 117.54 1o5p s SER 64 Ca 0.01 -0.62 -0.03 0.00 1.31 0.00 0.00 55.95 56.63 1o5p s SER 64 Cb -0.17 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 64.64 1o5p s SER 64 CO -0.10 -0.00 0.06 0.28 0.41 0.00 0.00 173.24 173.89 1o5p s THR 65 N 1.27 0.04 -0.05 1.44 -1.32 -0.51 -4.99 115.64 111.52 1o5p s THR 65 Ca 0.04 -0.30 -0.03 0.00 -1.21 0.00 0.00 61.69 60.19 1o5p s THR 65 Cb -0.13 -0.19 -0.04 0.00 -1.51 0.00 0.00 72.50 70.63 1o5p s THR 65 CO -0.11 -0.16 0.12 -0.94 -2.21 0.00 0.00 174.62 171.31 1o5p s SER 66 N -0.50 6.06 0.32 8.08 1.04 -1.26 -2.01 113.70 125.43 1o5p s SER 66 Ca -0.06 0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.69 1o5p s SER 66 Cb -0.04 -1.86 -0.00 0.00 0.10 0.00 0.00 66.02 64.22 1o5p s SER 66 CO 0.00 0.32 0.40 0.00 0.98 0.00 0.00 173.24 174.94 1o5p n LEU 67 N 1.46 0.00 -4.55 2.42 -0.00 -0.09 -4.95 117.00 111.29 1o5p n LEU 67 Ca -0.15 -2.70 -0.35 0.00 -0.00 0.00 0.00 56.01 52.80 1o5p n LEU 67 Cb 0.53 2.12 -0.11 0.00 -0.00 0.00 0.00 43.42 45.97 1o5p n LEU 67 CO 0.37 -0.57 -0.27 0.42 -0.00 0.00 0.00 177.39 177.34 1o5p s THR 68 N -2.91 4.53 0.02 1.47 -4.23 -1.09 0.30 115.64 113.74 1o5p s THR 68 Ca 0.29 -0.11 0.03 0.00 -1.18 0.00 0.00 61.69 60.72 1o5p s THR 68 Cb -0.00 -3.07 -0.01 0.00 1.34 0.00 0.00 72.50 70.76 1o5p s THR 68 CO 0.21 0.41 -0.08 0.68 -0.54 0.00 0.00 174.62 175.30 1o5p s VAL 69 N 0.89 0.62 0.35 2.29 -7.23 -0.93 -4.25 120.40 112.13 1o5p s VAL 69 Ca 0.03 -0.66 -0.02 0.00 -1.81 0.00 0.00 61.98 59.53 1o5p s VAL 69 Cb -0.14 -0.58 0.01 0.00 0.56 0.00 0.00 36.38 36.23 1o5p s VAL 69 CO 0.02 -0.05 0.49 -2.11 -0.31 0.00 0.00 175.10 173.14 1o5p n ARG 70 N 2.28 0.71 0.00 4.82 1.85 -1.26 -4.15 116.66 120.90 1o5p n ARG 70 Ca -0.17 -2.80 0.00 0.00 -1.00 0.00 0.00 57.85 53.88 1o5p n ARG 70 Cb 0.56 2.70 0.00 0.00 -1.05 0.00 0.00 32.46 34.67 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 -0.58 0.00 -1.72 2.89 1.85 -1.26 -4.52 116.66 113.32 1o5p n ARG 71 Ca 0.01 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 1o5p n ARG 71 Cb 0.59 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.99 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 3.04 -3.63 2.89 7.64 -1.26 -1.94 113.62 120.36 1o5p n SER 72 Ca 0.00 1.21 -0.11 0.00 1.01 0.00 0.00 58.87 60.98 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 -1.00 -0.83 -0.30 1.43 -0.71 -0.69 -4.82 117.98 111.06 1o5p s PHE 73 Ca 0.56 1.87 -0.32 0.00 -1.04 0.00 0.00 56.93 57.99 1o5p s PHE 73 Cb -0.55 0.40 -0.14 0.00 -1.21 0.00 0.00 43.02 41.53 1o5p s PHE 73 CO 0.61 -0.41 1.06 0.39 -1.34 0.00 0.00 175.22 175.54 1o5p n GLU 74 N 3.22 0.00 -1.74 1.99 1.02 -1.26 -1.75 120.64 122.12 1o5p n GLU 74 Ca -0.16 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.64 1o5p n GLU 74 Cb 0.57 -1.05 -0.01 0.00 -0.02 0.00 0.00 31.44 30.93 1o5p n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o5p n GLY 75 N 2.54 4.96 3.44 0.62 0.00 -0.53 -2.41 105.19 113.81 1o5p n GLY 75 Ca 0.21 -2.18 -0.63 0.00 0.00 0.00 0.00 46.02 43.42 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 0.27 1.50 -3.05 1.61 3.01 0.10 -2.33 117.46 118.57 1o5p n PHE 76 Ca 0.52 0.98 -0.40 0.00 1.01 0.00 0.00 57.45 59.56 1o5p n PHE 76 Cb 0.39 -2.16 -0.05 0.00 -0.01 0.00 0.00 39.48 37.65 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 3.84 4.22 -0.33 4.37 2.96 -0.66 -2.05 118.68 131.02 1o5p s LEU 77 Ca 1.06 1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 55.98 1o5p s LEU 77 Cb -1.44 -3.02 -0.03 0.00 0.50 0.00 0.00 46.19 42.20 1o5p s LEU 77 CO 0.74 -0.23 1.44 0.33 -1.32 0.00 0.00 176.35 177.31 1o5p n PHE 78 N 4.56 0.49 -2.00 5.38 7.35 -1.23 -2.92 117.46 129.10 1o5p n PHE 78 Ca -0.00 -1.01 0.00 0.00 -0.76 0.00 0.00 57.45 55.68 1o5p n PHE 78 Cb 0.50 -1.00 0.00 0.00 0.35 0.00 0.00 39.48 39.33 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 4.39 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.49 1o5p n ASP 79 Ca 0.18 -1.03 0.00 0.00 -1.51 0.00 0.00 54.79 52.42 1o5p n ASP 79 Cb 0.08 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.53 1o5p n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1o5p n GLY 80 N 0.00 2.75 3.95 0.27 0.00 -1.15 -4.99 105.19 106.03 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 -1.10 5.09 -0.10 2.61 -4.23 -1.26 -4.97 115.64 111.69 1o5p s THR 81 Ca 0.00 -0.62 -0.03 0.00 -1.18 0.00 0.00 61.69 59.86 1o5p s THR 81 Cb 0.00 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 1o5p s THR 81 CO 0.00 -0.48 0.03 0.00 -0.54 0.00 0.00 174.62 173.62 1o5p s ARG 82 N -4.23 3.16 0.33 3.99 1.70 -1.26 -1.66 118.95 120.97 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 -2.89 0.29 0.00 -0.57 0.00 0.00 34.95 31.68 1o5p s ARG 82 CO 0.34 0.66 1.44 2.35 -1.08 0.00 0.00 175.30 179.01 1o5p h TRP 83 N 5.32 0.00 0.00 5.89 7.01 -1.78 -3.45 115.95 128.93 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 1.20 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.26 1o5p h TRP 83 CO 0.64 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.70 1o5p n GLY 84 N 1.16 1.29 3.58 2.65 0.00 -1.26 -4.90 105.19 107.71 1o5p n GLY 84 Ca 0.03 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 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 -1.39 3.29 -0.55 2.61 -4.23 -1.26 -1.46 115.64 112.64 1o5p s THR 85 Ca 0.00 0.25 -0.28 0.00 -1.18 0.00 0.00 61.69 60.48 1o5p s THR 85 Cb 0.00 -3.50 0.02 0.00 1.34 0.00 0.00 72.50 70.36 1o5p s THR 85 CO 0.00 -0.39 1.34 -0.69 -0.54 0.00 0.00 174.62 174.34 1o5p s VAL 86 N 8.56 3.87 -0.26 2.29 1.01 -0.72 -4.67 120.40 130.48 1o5p s VAL 86 Ca 0.83 0.77 -0.28 0.00 0.00 0.00 0.00 61.98 63.30 1o5p s VAL 86 Cb -0.21 -4.51 -0.03 0.00 0.00 0.00 0.00 36.38 31.63 1o5p s VAL 86 CO 0.30 -1.18 1.94 -1.81 0.00 0.00 0.00 175.10 174.34 1o5p s ASP 87 N 3.91 5.82 0.00 3.32 1.11 -1.26 -1.70 116.67 127.88 1o5p s ASP 87 Ca 0.50 1.63 0.04 0.00 0.18 0.00 0.00 52.55 54.90 1o5p s ASP 87 Cb -0.10 -2.52 0.22 0.00 1.07 0.00 0.00 42.92 41.59 1o5p s ASP 87 CO 0.26 -1.71 0.98 0.00 1.18 0.00 0.00 175.17 175.88 1o5p n THR 89 N -1.30 0.00 -0.06 0.00 -2.24 -1.26 -4.14 114.28 105.28 1o5p n THR 89 Ca 0.02 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 1o5p n THR 89 Cb 0.04 0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.34 0.67 -3.54 4.28 -2.24 0.06 -5.06 114.28 108.11 1o5p n THR 90 Ca 0.19 -0.15 -0.24 0.00 -2.27 0.00 0.00 64.05 61.58 1o5p n THR 90 Cb 0.29 -1.67 0.03 0.00 -2.10 0.00 0.00 70.33 66.88 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 -3.54 1.03 -2.85 6.98 0.00 -1.18 -5.09 120.51 115.87 1o5p n ALA 91 Ca -0.23 -2.22 -0.39 0.00 0.00 0.00 0.00 53.44 50.61 1o5p n ALA 91 Cb 0.65 0.79 -0.12 0.00 0.00 0.00 0.00 19.45 20.78 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 -2.77 3.30 -0.26 0.00 0.00 -1.26 -4.71 121.76 116.06 1o5p s ALA 92 Ca 0.45 -1.35 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 1o5p s ALA 92 Cb -0.04 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 1o5p s ALA 92 CO 0.28 -0.86 0.31 0.00 0.00 0.00 0.00 175.76 175.50 1o5p s GLN 94 N 1.80 3.26 -0.38 0.00 -0.21 -0.70 -2.54 119.66 120.89 1o5p s GLN 94 Ca 0.13 -0.43 -0.11 0.00 0.02 0.00 0.00 55.36 54.97 1o5p s GLN 94 Cb -0.15 -2.97 0.03 0.00 1.00 0.00 0.00 33.01 30.91 1o5p s GLN 94 CO 0.09 0.65 0.21 0.08 -2.12 0.00 0.00 175.29 174.20 1o5p s VAL 95 N -1.31 4.54 0.00 1.09 1.01 0.13 -2.22 120.40 123.64 1o5p s VAL 95 Ca 0.27 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 1o5p s VAL 95 Cb -0.12 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1o5p s VAL 95 CO 0.19 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1o5p n GLY 96 N 4.99 3.11 3.88 4.51 0.00 -1.05 0.25 105.19 120.88 1o5p n GLY 96 Ca -0.12 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.06 0.99 1.02 -1.24 -2.12 118.68 119.76 1o5p s LEU 97 Ca 0.00 -1.42 -0.31 0.00 0.02 0.00 0.00 54.13 52.42 1o5p s LEU 97 Cb -0.00 -0.98 0.13 0.00 0.02 0.00 0.00 46.19 45.36 1o5p s LEU 97 CO 0.00 -1.11 1.36 -0.94 0.02 0.00 0.00 176.35 175.69 1o5p s SER 98 N -4.20 -0.03 0.00 2.29 1.04 -0.26 -4.35 113.70 108.20 1o5p s SER 98 Ca 0.23 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1o5p s SER 98 Cb -0.02 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1o5p s SER 98 CO 0.15 -0.15 0.00 -0.90 0.98 0.00 0.00 173.24 173.31 1o5p n ASP 99 N -0.56 1.10 -1.59 7.02 5.75 -1.25 0.27 116.55 127.30 1o5p n ASP 99 Ca -0.08 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.55 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 4.75 -0.03 2.12 0.00 -1.26 -4.61 120.51 118.48 1o5p n ALA 100 Ca 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 53.44 49.88 1o5p n ALA 100 Cb 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 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 -5.01 120.51 115.18 1o5p n ALA 101 Ca 0.39 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1o5p n ALA 101 Cb 0.90 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.55 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 2.82 1.12 2.86 0.00 0.00 -1.26 -5.14 105.19 105.59 1o5p n GLY 102 Ca -0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.53 -0.17 1.61 5.03 -1.26 -4.99 115.26 113.94 1o5p n ASN 103 Ca 0.00 -1.95 0.00 0.00 0.87 0.00 0.00 54.58 53.50 1o5p n ASN 103 Cb 0.00 2.52 0.00 0.00 -1.02 0.00 0.00 39.78 41.28 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 2.33 2.96 7.41 0.00 -1.26 -3.82 105.19 112.34 1o5p n GLY 104 Ca -0.04 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.74 -2.07 1.61 -0.02 -1.26 -4.91 135.00 126.61 1o5p n PRO 105 Ca 0.00 -0.52 -0.18 0.00 -2.02 0.00 0.00 63.50 60.78 1o5p n PRO 105 Cb 0.00 -1.36 0.10 0.00 -0.02 0.00 0.00 33.50 32.22 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 -0.88 -0.05 -4.52 -0.52 0.28 -1.26 -4.59 120.64 109.10 1o5p n GLU 106 Ca 0.04 -2.07 -0.25 0.00 -0.16 0.00 0.00 57.16 54.72 1o5p n GLU 106 Cb 0.30 -0.57 -0.10 0.00 1.43 0.00 0.00 31.44 32.50 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 -4.58 2.11 -0.20 -1.84 0.00 -1.26 -3.65 107.32 97.90 1o5p s GLY 107 Ca 0.52 -2.04 -0.10 0.00 0.00 0.00 0.00 44.72 43.11 1o5p s GLY 107 CO 0.35 -2.01 0.13 0.14 0.00 0.00 0.00 173.10 171.71 1o5p s VAL 108 N -2.60 5.40 -0.12 1.40 1.01 0.14 -4.72 120.40 120.91 1o5p s VAL 108 Ca 0.32 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 1o5p s VAL 108 Cb 0.01 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1o5p s VAL 108 CO 0.16 0.44 1.25 0.00 0.00 0.00 0.00 175.10 176.94 1o5p s ALA 109 N 0.39 3.60 0.46 5.51 0.00 -1.26 0.21 121.76 130.67 1o5p s ALA 109 Ca 0.08 0.53 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1o5p s ALA 109 Cb -0.11 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.44 1o5p s ALA 109 CO -0.02 -1.03 0.63 0.96 0.00 0.00 0.00 175.76 176.31 1o5p s ILE 110 N 3.03 2.93 0.07 0.00 -4.36 -1.05 -4.85 121.20 116.96 1o5p s ILE 110 Ca 0.56 -0.89 0.02 0.00 -0.26 0.00 0.00 60.65 60.07 1o5p s ILE 110 Cb -0.23 -3.01 -0.03 0.00 1.25 0.00 0.00 42.46 40.43 1o5p s ILE 110 CO 0.18 -0.01 -0.07 -0.44 0.24 0.00 0.00 174.94 174.84 1o5p s SER 111 N -4.37 0.94 -0.24 4.36 0.01 0.19 -4.71 113.70 109.89 1o5p s SER 111 Ca 0.55 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 57.06 1o5p s SER 111 Cb -0.10 0.07 0.06 0.00 0.21 0.00 0.00 66.02 66.26 1o5p s SER 111 CO 0.35 -0.33 -0.05 -0.36 0.41 0.00 0.00 173.24 173.25 1o5p s PHE 112 N -2.42 2.42 -2.00 2.43 0.40 -1.26 -2.78 117.98 114.77 1o5p s PHE 112 Ca -0.00 -1.77 0.13 0.00 -0.60 0.00 0.00 56.93 54.69 1o5p s PHE 112 Cb -0.03 -1.59 0.81 0.00 0.51 0.00 0.00 43.02 42.72 1o5p s PHE 112 CO -0.02 -0.78 1.23 0.27 0.70 0.00 0.00 175.22 176.62