#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 2.49 0.79 0.00 0.00 -1.26 -5.07 121.76 118.72 1o5p s ALA 2 Ca 0.00 -1.58 -0.13 0.00 0.00 0.00 0.00 51.96 50.24 1o5p s ALA 2 Cb 0.00 -0.35 0.08 0.00 0.00 0.00 0.00 23.12 22.84 1o5p s ALA 2 CO 0.00 0.47 1.20 -1.25 0.00 0.00 0.00 175.76 176.17 1o5p s PRO 3 N -2.47 1.73 0.11 0.00 0.04 0.05 -4.62 135.00 129.84 1o5p s PRO 3 Ca 0.19 1.71 -0.08 0.00 0.04 0.00 0.00 61.00 62.86 1o5p s PRO 3 Cb -0.09 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 1o5p s PRO 3 CO 0.09 -2.13 0.21 0.95 0.04 0.00 0.00 177.00 176.15 1o5p s THR 4 N -2.18 0.12 -0.11 1.26 -4.23 1.09 -4.89 115.64 106.69 1o5p s THR 4 Ca 0.72 -1.27 -0.05 0.00 -1.18 0.00 0.00 61.69 59.91 1o5p s THR 4 Cb -0.28 -1.50 0.05 0.00 1.34 0.00 0.00 72.50 72.11 1o5p s THR 4 CO 0.50 -0.56 0.26 0.00 -0.54 0.00 0.00 174.62 174.28 1o5p s ALA 5 N -3.90 -0.59 -0.42 3.99 0.00 -1.26 0.25 121.76 119.84 1o5p s ALA 5 Ca 0.09 1.03 -0.09 0.00 0.00 0.00 0.00 51.96 52.99 1o5p s ALA 5 Cb 0.05 -0.70 0.08 0.00 0.00 0.00 0.00 23.12 22.55 1o5p s ALA 5 CO -0.08 -0.25 0.25 0.95 0.00 0.00 0.00 175.76 176.64 1o5p s THR 6 N 1.40 4.20 -0.20 0.00 -4.23 -0.23 -4.79 115.64 111.78 1o5p s THR 6 Ca -0.08 -1.40 -0.01 0.00 -1.18 0.00 0.00 61.69 59.02 1o5p s THR 6 Cb -0.10 -3.57 0.01 0.00 1.34 0.00 0.00 72.50 70.18 1o5p s THR 6 CO -0.09 -0.50 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.67 1o5p s VAL 7 N 1.42 2.51 -0.09 2.29 1.01 -1.25 0.12 120.40 126.41 1o5p s VAL 7 Ca 0.03 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 1o5p s VAL 7 Cb -0.23 -2.12 0.07 0.00 0.00 0.00 0.00 36.38 34.10 1o5p s VAL 7 CO 0.02 0.45 0.71 -0.89 0.00 0.00 0.00 175.10 175.39 1o5p s THR 8 N 1.34 0.00 0.54 3.92 2.01 -0.61 -4.31 115.64 118.52 1o5p s THR 8 Ca 0.04 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.87 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 -0.09 0.00 1.04 -2.16 -0.69 0.00 0.00 174.62 172.72 1o5p s PRO 9 N -0.93 3.61 0.03 4.92 0.05 -1.26 -1.16 135.00 140.26 1o5p s PRO 9 Ca -0.09 1.22 0.18 0.00 0.05 0.00 0.00 61.00 62.37 1o5p s PRO 9 Cb -0.01 -2.07 -0.16 0.00 0.05 0.00 0.00 34.50 32.31 1o5p s PRO 9 CO 0.08 -0.58 0.71 0.43 0.05 0.00 0.00 177.00 177.70 1o5p n SER 10 N -1.54 0.65 -4.23 6.66 7.64 -1.26 -4.77 113.62 116.76 1o5p n SER 10 Ca 0.09 0.28 -0.13 0.00 1.01 0.00 0.00 58.87 60.12 1o5p n SER 10 Cb 0.53 0.52 -0.10 0.00 -1.01 0.00 0.00 64.21 64.14 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 -5.54 0.89 -0.33 6.43 0.01 -1.26 0.58 113.70 114.47 1o5p s SER 11 Ca -0.04 -1.24 -0.02 0.00 1.31 0.00 0.00 55.95 55.97 1o5p s SER 11 Cb 0.09 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1o5p s SER 11 CO 0.82 -0.66 0.22 0.61 0.41 0.00 0.00 173.24 174.64 1o5p n GLY 12 N -0.24 0.52 0.13 3.44 0.00 -1.13 -4.90 105.19 103.00 1o5p n GLY 12 Ca -0.04 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.37 2.42 -1.10 0.99 4.77 -1.26 -5.05 117.00 116.39 1o5p n LEU 13 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1o5p n LEU 13 Cb 0.52 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1o5p n LEU 13 CO 0.13 0.69 -0.32 -0.24 -1.33 0.00 0.00 177.39 176.32 1o5p n SER 14 N -3.77 -6.10 -4.46 -1.43 2.88 -1.26 -3.84 113.62 95.64 1o5p n SER 14 Ca -0.35 1.05 -0.48 0.00 -1.33 0.00 0.00 58.87 57.77 1o5p n SER 14 Cb 0.93 -3.11 -0.07 0.00 -0.75 0.00 0.00 64.21 61.21 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 -1.51 1.99 0.00 -3.46 5.75 -1.26 -2.00 116.55 116.06 1o5p n ASP 15 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 1o5p n ASP 15 Cb 0.14 -1.27 0.00 0.00 -1.03 0.00 0.00 41.12 38.96 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 1.50 1.04 6.12 0.00 -1.26 -5.06 105.19 114.00 1o5p n GLY 16 Ca 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.39 1o5p n GLY 16 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1o5p n THR 17 N -0.59 0.00 -4.53 2.61 5.66 -0.84 -4.96 114.28 111.62 1o5p n THR 17 Ca 0.00 -0.55 -0.21 0.00 -3.05 0.00 0.00 64.05 60.24 1o5p n THR 17 Cb 0.00 -0.62 -0.15 0.00 -1.55 0.00 0.00 70.33 68.01 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 -0.35 0.95 0.19 1.08 1.01 -1.26 -1.99 120.40 120.03 1o5p s VAL 18 Ca 0.12 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.69 1o5p s VAL 18 Cb -0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1o5p s VAL 18 CO 0.08 0.27 -0.10 0.68 0.00 0.00 0.00 175.10 176.03 1o5p s VAL 19 N -0.20 3.15 -0.34 2.92 -7.23 0.17 -4.72 120.40 114.14 1o5p s VAL 19 Ca 0.03 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 58.43 1o5p s VAL 19 Cb -0.06 -2.57 0.05 0.00 0.56 0.00 0.00 36.38 34.36 1o5p s VAL 19 CO -0.00 -0.13 0.10 -0.75 -0.31 0.00 0.00 175.10 174.00 1o5p s LYS 20 N -2.89 2.56 -0.22 4.82 2.47 -0.31 -0.83 119.74 125.34 1o5p s LYS 20 Ca 0.25 -1.23 -0.07 0.00 -1.56 0.00 0.00 55.97 53.36 1o5p s LYS 20 Cb -0.08 -3.43 -0.03 0.00 -1.46 0.00 0.00 37.83 32.82 1o5p s LYS 20 CO 0.15 -0.69 0.07 0.54 0.16 0.00 0.00 175.35 175.58 1o5p s VAL 21 N 1.37 4.51 0.36 4.02 0.11 -0.87 -1.57 120.40 128.32 1o5p s VAL 21 Ca -0.02 -0.12 0.08 0.00 -2.93 0.00 0.00 61.98 59.00 1o5p s VAL 21 Cb -0.20 -3.08 -0.04 0.00 -1.53 0.00 0.00 36.38 31.53 1o5p s VAL 21 CO 0.02 0.38 0.14 0.00 -3.33 0.00 0.00 175.10 172.31 1o5p s ALA 22 N 1.13 3.50 -0.21 1.54 0.00 0.32 -2.28 121.76 125.76 1o5p s ALA 22 Ca 0.04 -1.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.07 1o5p s ALA 22 Cb -0.14 -0.63 0.09 0.00 0.00 0.00 0.00 23.12 22.44 1o5p s ALA 22 CO 0.03 -0.01 0.20 0.20 0.00 0.00 0.00 175.76 176.19 1o5p s GLY 23 N -3.85 0.08 -0.06 0.00 0.00 0.27 -1.07 107.32 102.69 1o5p s GLY 23 Ca 0.38 0.00 0.05 0.00 0.00 0.00 0.00 44.72 45.15 1o5p s GLY 23 CO 0.22 2.14 -0.20 0.00 0.00 0.00 0.00 173.10 175.26 1o5p s ALA 24 N 2.28 2.40 0.00 3.20 0.00 0.70 0.72 121.76 131.05 1o5p s ALA 24 Ca 0.07 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1o5p s ALA 24 Cb -0.16 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1o5p s ALA 24 CO -0.16 0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.47 1o5p n GLY 25 N 2.74 0.92 3.98 0.00 0.00 -1.02 0.35 105.19 112.16 1o5p n GLY 25 Ca -0.17 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 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 3.26 -0.84 0.99 1.43 -0.85 -0.77 118.68 121.89 1o5p s LEU 26 Ca 0.00 -0.06 -0.31 0.00 -1.03 0.00 0.00 54.13 52.74 1o5p s LEU 26 Cb 0.00 -2.79 -0.18 0.00 0.03 0.00 0.00 46.19 43.25 1o5p s LEU 26 CO 0.00 -1.19 2.59 0.00 0.23 0.00 0.00 176.35 177.99 1o5p n GLN 27 N -2.36 0.27 -1.32 1.70 3.00 -1.26 -4.02 117.38 113.39 1o5p n GLN 27 Ca 0.09 0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.92 1o5p n GLN 27 Cb 0.60 -1.98 -0.10 0.00 0.00 0.00 0.00 30.24 28.76 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 11.59 0.32 0.00 -1.58 0.00 -1.24 -1.20 120.51 128.39 1o5p n ALA 28 Ca 0.58 -2.09 0.00 0.00 0.00 0.00 0.00 53.44 51.94 1o5p n ALA 28 Cb 0.15 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 16.67 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 5.67 0.44 2.59 0.00 0.00 0.95 -4.83 105.19 110.01 1o5p n GLY 29 Ca 0.35 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.57 -0.03 -0.35 2.61 -4.23 -0.34 -4.87 115.64 107.85 1o5p s THR 30 Ca 0.00 -0.45 -0.35 0.00 -1.18 0.00 0.00 61.69 59.70 1o5p s THR 30 Cb 0.00 -0.79 -0.12 0.00 1.34 0.00 0.00 72.50 72.94 1o5p s THR 30 CO 0.00 -0.47 2.19 0.00 -0.54 0.00 0.00 174.62 175.80 1o5p n ALA 31 N 5.25 1.06 -2.79 3.99 0.00 -1.26 -2.73 120.51 124.03 1o5p n ALA 31 Ca -0.07 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.06 1o5p n ALA 31 Cb 0.46 -2.54 -0.05 0.00 0.00 0.00 0.00 19.45 17.31 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 7.33 3.10 0.32 0.00 1.51 0.14 -4.38 117.35 125.37 1o5p s TYR 32 Ca 1.10 -0.05 0.06 0.00 -1.01 0.00 0.00 57.07 57.17 1o5p s TYR 32 Cb -0.87 -1.47 -0.01 0.00 -0.11 0.00 0.00 41.96 39.50 1o5p s TYR 32 CO 0.49 0.52 0.44 0.34 -1.11 0.00 0.00 175.55 176.24 1o5p s ASP 33 N -3.26 5.98 -0.12 2.29 2.15 0.71 -1.43 116.67 122.99 1o5p s ASP 33 Ca 0.31 -0.17 -0.04 0.00 0.43 0.00 0.00 52.55 53.08 1o5p s ASP 33 Cb -0.09 -1.30 0.06 0.00 -0.30 0.00 0.00 42.92 41.29 1o5p s ASP 33 CO 0.23 -0.38 0.19 0.54 -0.17 0.00 0.00 175.17 175.58 1o5p s VAL 34 N -2.16 -0.29 0.14 1.11 0.11 -0.84 -1.04 120.40 117.43 1o5p s VAL 34 Ca 0.43 0.21 -0.15 0.00 -2.93 0.00 0.00 61.98 59.54 1o5p s VAL 34 Cb -0.09 -0.42 0.05 0.00 -1.53 0.00 0.00 36.38 34.39 1o5p s VAL 34 CO 0.31 0.04 0.71 0.61 -3.33 0.00 0.00 175.10 173.44 1o5p n GLY 35 N 5.33 0.85 3.42 6.54 0.00 -0.90 -0.29 105.19 120.13 1o5p n GLY 35 Ca -0.05 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 2.91 0.06 1.61 -2.07 -1.26 -2.53 119.66 116.34 1o5p s GLN 36 Ca 0.16 -1.10 0.05 0.00 -1.82 0.00 0.00 55.36 52.65 1o5p s GLN 36 Cb -0.02 -3.92 -0.03 0.00 -1.09 0.00 0.00 33.01 27.95 1o5p s GLN 36 CO 0.04 -0.78 -0.14 0.00 -1.32 0.00 0.00 175.29 173.09 1o5p s ALA 38 N -1.11 1.87 -0.35 0.00 0.00 -0.77 -1.64 121.76 119.76 1o5p s ALA 38 Ca -0.00 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.85 1o5p s ALA 38 Cb -0.09 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 1o5p s ALA 38 CO 0.02 0.43 0.44 -1.58 0.00 0.00 0.00 175.76 175.07 1o5p s TRP 39 N -0.38 3.19 -0.81 0.00 0.51 -1.26 -1.81 118.94 118.37 1o5p s TRP 39 Ca 0.05 0.07 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 30.33 1o5p s TRP 39 CO 0.00 -0.49 1.49 1.33 -0.51 0.00 0.00 176.95 178.77 1o5p n VAL 40 N 5.34 1.78 -1.50 4.03 0.24 -0.90 -4.76 118.33 122.56 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 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 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 0.55 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 113.00 1o5p n ASP 41 Ca 0.21 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.35 1o5p n ASP 41 Cb 0.79 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.86 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 -2.46 3.47 0.00 -3.53 -4.23 -1.26 -2.92 115.64 104.71 1o5p s THR 42 Ca 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1o5p s THR 42 Cb 0.00 -4.20 0.00 0.00 1.34 0.00 0.00 72.50 69.64 1o5p s THR 42 CO 0.00 -1.15 0.00 0.61 -0.54 0.00 0.00 174.62 173.54 1o5p n GLY 43 N 5.94 0.76 3.11 3.99 0.00 -1.26 -5.05 105.19 112.68 1o5p n GLY 43 Ca 0.22 -0.68 -0.34 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 2.72 -0.33 1.61 1.01 -1.15 -4.98 120.40 117.29 1o5p s VAL 44 Ca 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 61.98 60.23 1o5p s VAL 44 Cb 0.00 -2.71 0.08 0.00 0.00 0.00 0.00 36.38 33.75 1o5p s VAL 44 CO 0.00 -0.29 0.04 -0.22 0.00 0.00 0.00 175.10 174.63 1o5p s LEU 45 N 1.13 4.38 -0.42 3.92 2.96 -1.26 -2.12 118.68 127.26 1o5p s LEU 45 Ca -0.00 -1.74 -0.16 0.00 -0.22 0.00 0.00 54.13 52.00 1o5p s LEU 45 Cb -0.20 -1.68 0.03 0.00 0.50 0.00 0.00 46.19 44.83 1o5p s LEU 45 CO -0.04 -0.35 0.39 0.00 -1.32 0.00 0.00 176.35 175.04 1o5p s ALA 46 N 1.09 3.45 0.32 5.97 0.00 -0.75 -3.46 121.76 128.38 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 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1o5p s ALA 46 CO -0.05 -1.57 0.25 0.00 0.00 0.00 0.00 175.76 174.40 1o5p s ASN 48 N -3.94 4.72 0.00 0.00 2.47 -0.87 -0.69 114.94 116.63 1o5p s ASN 48 Ca 0.39 -0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.54 1o5p s ASN 48 Cb -0.06 -1.71 0.00 0.00 -1.45 0.00 0.00 41.25 38.03 1o5p s ASN 48 CO 0.26 0.19 0.31 -0.81 -3.72 0.00 0.00 177.10 173.33 1o5p n PRO 49 N 3.38 0.58 -0.10 0.43 -0.05 -1.26 -2.88 135.00 135.10 1o5p n PRO 49 Ca -0.18 0.00 0.06 0.00 -0.05 0.00 0.00 63.50 63.33 1o5p n PRO 49 Cb 0.53 -1.28 0.11 0.00 -0.05 0.00 0.00 33.50 32.80 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 0.25 2.31 -1.63 0.55 0.00 -1.26 -4.36 120.51 116.37 1o5p n ALA 50 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1o5p n ALA 50 Cb 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 0.58 0.11 -4.54 0.00 5.75 -1.14 -2.37 116.55 114.94 1o5p n ASP 51 Ca 0.10 -1.73 -0.42 0.00 -0.01 0.00 0.00 54.79 52.72 1o5p n ASP 51 Cb 0.37 -0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.29 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 -0.11 2.67 0.00 2.11 0.40 -1.25 -3.06 117.98 118.74 1o5p s PHE 52 Ca 0.01 -1.03 0.00 0.00 -0.60 0.00 0.00 56.93 55.31 1o5p s PHE 52 Cb 0.01 -4.63 0.00 0.00 0.51 0.00 0.00 43.02 38.91 1o5p s PHE 52 CO 0.00 -1.84 0.00 0.43 0.70 0.00 0.00 175.22 174.51 1o5p n SER 53 N 8.40 0.78 0.00 1.36 7.64 0.61 -4.92 113.62 127.49 1o5p n SER 53 Ca 0.33 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.49 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 -1.61 0.00 -3.67 6.43 2.88 -1.26 -1.99 113.62 114.40 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 -0.62 0.07 -0.07 2.46 0.11 -0.51 -4.96 120.40 116.88 1o5p s VAL 55 Ca 0.00 -0.57 -0.07 0.00 -2.93 0.00 0.00 61.98 58.41 1o5p s VAL 55 Cb 0.00 -1.07 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 1o5p s VAL 55 CO 0.00 -0.32 0.20 -0.89 -3.33 0.00 0.00 175.10 170.76 1o5p s THR 56 N -3.13 5.41 -0.33 5.04 2.01 -1.26 0.25 115.64 123.63 1o5p s THR 56 Ca -0.01 0.21 -0.28 0.00 0.31 0.00 0.00 61.69 61.92 1o5p s THR 56 Cb 0.01 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1o5p s THR 56 CO -0.07 0.53 2.10 0.00 -0.69 0.00 0.00 174.62 176.49 1o5p s ALA 57 N -1.13 2.53 0.00 7.40 0.00 -1.10 -4.69 121.76 124.77 1o5p s ALA 57 Ca 0.20 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.55 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 0.09 -3.12 0.00 -0.40 0.00 0.00 0.00 175.76 172.33 1o5p n ASP 58 N 12.11 0.00 -0.09 0.00 5.75 -1.26 0.32 116.55 133.38 1o5p n ASP 58 Ca 0.28 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 55.00 1o5p n ASP 58 Cb 0.48 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.57 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 0.07 0.00 2.12 0.00 -1.92 -3.11 119.26 114.42 1o5p h ALA 59 Ca 0.00 0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.69 1o5p h ALA 59 Cb 0.00 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1o5p h ALA 59 CO 0.00 -0.56 -2.26 -1.71 0.00 0.00 0.00 179.25 174.71 1o5p n ASN 60 N -5.35 1.18 0.00 0.00 2.85 -1.26 -4.54 115.26 108.14 1o5p n ASN 60 Ca 0.01 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1o5p n ASN 60 Cb 0.26 0.45 0.00 0.00 1.24 0.00 0.00 39.78 41.73 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 2.08 0.71 3.71 8.20 0.00 -1.18 -2.01 105.19 116.71 1o5p n GLY 61 Ca -0.34 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 1o5p n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1o5p s SER 62 N -1.17 6.25 -0.20 1.61 1.04 -1.22 -2.43 113.70 117.58 1o5p s SER 62 Ca 0.00 0.28 -0.03 0.00 0.48 0.00 0.00 55.95 56.68 1o5p s SER 62 Cb 0.00 -2.12 0.06 0.00 0.10 0.00 0.00 66.02 64.07 1o5p s SER 62 CO 0.00 0.13 0.06 0.00 0.98 0.00 0.00 173.24 174.41 1o5p s ALA 63 N 0.55 0.85 -0.20 5.32 0.00 0.22 -4.58 121.76 123.93 1o5p s ALA 63 Ca 0.10 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.41 1o5p s ALA 63 Cb -0.12 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 21.85 1o5p s ALA 63 CO 0.01 -1.23 -0.17 -1.54 0.00 0.00 0.00 175.76 172.82 1o5p s SER 64 N 1.94 3.42 -0.07 0.00 1.04 -1.26 0.95 113.70 119.72 1o5p s SER 64 Ca 0.01 -0.82 -0.07 0.00 0.48 0.00 0.00 55.95 55.55 1o5p s SER 64 Cb -0.17 -1.46 0.02 0.00 0.10 0.00 0.00 66.02 64.51 1o5p s SER 64 CO -0.11 -0.05 0.19 0.28 0.98 0.00 0.00 173.24 174.52 1o5p s THR 65 N 1.26 0.01 -0.15 2.02 -1.32 -0.96 -4.99 115.64 111.51 1o5p s THR 65 Ca 0.01 -0.06 -0.08 0.00 -1.21 0.00 0.00 61.69 60.36 1o5p s THR 65 Cb -0.15 -0.29 -0.04 0.00 -1.51 0.00 0.00 72.50 70.51 1o5p s THR 65 CO -0.11 -0.03 0.12 -0.94 -2.21 0.00 0.00 174.62 171.45 1o5p s SER 66 N -0.02 6.21 0.21 8.08 1.04 -1.26 -2.04 113.70 125.91 1o5p s SER 66 Ca -0.01 0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.79 1o5p s SER 66 Cb -0.02 -2.03 -0.05 0.00 0.10 0.00 0.00 66.02 64.02 1o5p s SER 66 CO 0.00 0.32 0.02 -1.48 0.98 0.00 0.00 173.24 173.09 1o5p s LEU 67 N -0.50 2.03 -0.21 2.42 0.05 -0.01 -4.92 118.68 117.54 1o5p s LEU 67 Ca 0.12 -1.23 -0.14 0.00 0.05 0.00 0.00 54.13 52.93 1o5p s LEU 67 Cb -0.12 -0.09 -0.04 0.00 -2.05 0.00 0.00 46.19 43.89 1o5p s LEU 67 CO 0.02 -0.59 0.32 0.42 -0.55 0.00 0.00 176.35 175.97 1o5p s THR 68 N -3.62 5.25 0.01 5.48 -4.23 -1.00 0.42 115.64 117.96 1o5p s THR 68 Ca 0.28 0.53 0.02 0.00 -1.18 0.00 0.00 61.69 61.34 1o5p s THR 68 Cb 0.06 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.24 1o5p s THR 68 CO 0.07 0.29 -0.06 0.68 -0.54 0.00 0.00 174.62 175.05 1o5p s VAL 69 N 1.21 0.47 0.21 2.29 -7.23 -0.84 -4.06 120.40 112.45 1o5p s VAL 69 Ca 0.15 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 1o5p s VAL 69 Cb -0.14 -0.45 -0.00 0.00 0.56 0.00 0.00 36.38 36.34 1o5p s VAL 69 CO 0.07 -0.05 0.27 -2.11 -0.31 0.00 0.00 175.10 172.97 1o5p n ARG 70 N 2.43 0.39 0.00 4.82 1.85 -1.26 -4.19 116.66 120.70 1o5p n ARG 70 Ca -0.16 -1.79 0.00 0.00 -1.00 0.00 0.00 57.85 54.90 1o5p n ARG 70 Cb 0.57 1.66 0.00 0.00 -1.05 0.00 0.00 32.46 33.64 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 -0.36 0.00 -1.72 2.89 1.85 -1.26 -4.55 116.66 113.51 1o5p n ARG 71 Ca 0.01 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.45 1o5p n ARG 71 Cb 0.36 0.00 0.01 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 2.80 -3.64 2.89 7.64 -1.26 -1.94 113.62 120.12 1o5p n SER 72 Ca 0.00 1.13 -0.10 0.00 1.01 0.00 0.00 58.87 60.91 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 -1.18 -0.76 -0.29 1.43 -0.71 -0.65 -4.81 117.98 111.01 1o5p s PHE 73 Ca 0.59 1.73 -0.33 0.00 -1.04 0.00 0.00 56.93 57.89 1o5p s PHE 73 Cb -0.50 0.38 -0.14 0.00 -1.21 0.00 0.00 43.02 41.54 1o5p s PHE 73 CO 0.59 -0.37 1.08 0.39 -1.34 0.00 0.00 175.22 175.57 1o5p n GLU 74 N 3.04 0.00 -1.62 1.99 4.71 -1.26 -1.68 120.64 125.82 1o5p n GLU 74 Ca -0.15 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.69 1o5p n GLU 74 Cb 0.56 -1.08 -0.03 0.00 -1.01 0.00 0.00 31.44 29.88 1o5p n GLU 74 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1o5p n GLY 75 N 2.55 4.71 3.32 0.62 0.00 -0.49 -2.58 105.19 113.33 1o5p n GLY 75 Ca 0.21 -2.07 -0.61 0.00 0.00 0.00 0.00 46.02 43.55 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 0.43 1.34 -2.98 1.61 3.01 0.13 -2.30 117.46 118.71 1o5p n PHE 76 Ca 0.50 0.88 -0.41 0.00 1.01 0.00 0.00 57.45 59.44 1o5p n PHE 76 Cb 0.45 -2.19 -0.05 0.00 -0.01 0.00 0.00 39.48 37.69 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 4.67 4.24 -0.29 4.37 2.96 -0.67 -1.95 118.68 132.01 1o5p s LEU 77 Ca 1.10 1.15 -0.02 0.00 -0.22 0.00 0.00 54.13 56.14 1o5p s LEU 77 Cb -1.45 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 42.08 1o5p s LEU 77 CO 0.70 -0.26 1.38 0.33 -1.32 0.00 0.00 176.35 177.18 1o5p n PHE 78 N 4.56 0.43 -2.00 5.38 7.35 -1.22 -2.88 117.46 129.07 1o5p n PHE 78 Ca 0.01 -0.93 0.00 0.00 -0.76 0.00 0.00 57.45 55.77 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 4.39 0.00 0.00 -2.13 2.03 -1.26 -4.98 116.55 114.60 1o5p n ASP 79 Ca 0.16 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.46 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 2.78 3.94 0.27 0.00 -1.14 -4.99 105.19 106.05 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 -1.07 5.00 -0.11 2.61 -4.23 -1.26 -4.96 115.64 111.61 1o5p s THR 81 Ca 0.00 -0.49 -0.03 0.00 -1.18 0.00 0.00 61.69 59.99 1o5p s THR 81 Cb 0.00 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 1o5p s THR 81 CO 0.00 -0.53 0.01 0.00 -0.54 0.00 0.00 174.62 173.55 1o5p s ARG 82 N -4.33 3.27 0.30 3.99 1.70 -1.26 -1.68 118.95 120.94 1o5p s ARG 82 Ca 0.41 -0.41 0.24 0.00 -0.47 0.00 0.00 55.73 55.49 1o5p s ARG 82 Cb -0.10 -2.88 0.40 0.00 -0.57 0.00 0.00 34.95 31.80 1o5p s ARG 82 CO 0.36 0.56 1.52 2.35 -1.08 0.00 0.00 175.30 179.00 1o5p h TRP 83 N 5.67 0.00 0.00 5.89 7.01 -1.78 -3.46 115.95 129.28 1o5p h TRP 83 Ca -0.45 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.55 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 1.20 1.30 3.57 2.65 0.00 -1.26 -4.89 105.19 107.76 1o5p n GLY 84 Ca 0.04 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.44 3.24 -0.53 2.61 -4.23 -1.26 -1.39 115.64 112.63 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 -3.45 0.01 0.00 1.34 0.00 0.00 72.50 70.41 1o5p s THR 85 CO 0.00 -0.37 1.39 -0.69 -0.54 0.00 0.00 174.62 174.41 1o5p s VAL 86 N 9.11 3.84 -0.27 2.29 1.01 -0.67 -4.67 120.40 131.04 1o5p s VAL 86 Ca 0.85 0.76 -0.28 0.00 0.00 0.00 0.00 61.98 63.30 1o5p s VAL 86 Cb -0.20 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.73 1o5p s VAL 86 CO 0.28 -1.10 1.88 -1.81 0.00 0.00 0.00 175.10 174.35 1o5p s ASP 87 N 4.15 5.90 0.00 3.32 1.01 -1.26 -1.63 116.67 128.16 1o5p s ASP 87 Ca 0.53 1.57 0.06 0.00 0.71 0.00 0.00 52.55 55.42 1o5p s ASP 87 Cb -0.11 -2.52 0.29 0.00 1.01 0.00 0.00 42.92 41.59 1o5p s ASP 87 CO 0.27 -1.66 1.02 0.00 0.21 0.00 0.00 175.17 175.01 1o5p n THR 89 N -1.27 0.00 -0.04 0.00 -2.24 -1.26 -4.14 114.28 105.32 1o5p n THR 89 Ca 0.03 -0.17 -0.10 0.00 -2.27 0.00 0.00 64.05 61.54 1o5p n THR 89 Cb 0.04 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.22 0.56 -3.48 4.28 -2.24 -0.10 -5.06 114.28 108.02 1o5p n THR 90 Ca 0.20 -0.10 -0.23 0.00 -2.27 0.00 0.00 64.05 61.65 1o5p n THR 90 Cb 0.28 -1.64 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 n ALA 91 N -3.44 1.06 -2.85 6.98 0.00 -1.18 -5.09 120.51 116.00 1o5p n ALA 91 Ca -0.18 -2.21 -0.39 0.00 0.00 0.00 0.00 53.44 50.67 1o5p n ALA 91 Cb 0.60 0.77 -0.12 0.00 0.00 0.00 0.00 19.45 20.70 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 -2.76 3.29 -0.26 0.00 0.00 -1.26 -4.71 121.76 116.06 1o5p s ALA 92 Ca 0.47 -1.37 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 1o5p s ALA 92 Cb -0.04 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1o5p s ALA 92 CO 0.30 -0.88 0.32 0.00 0.00 0.00 0.00 175.76 175.49 1o5p s GLN 94 N 1.79 3.36 -0.39 0.00 -0.21 -0.65 -2.49 119.66 121.06 1o5p s GLN 94 Ca 0.13 -0.35 -0.12 0.00 0.02 0.00 0.00 55.36 55.04 1o5p s GLN 94 Cb -0.15 -3.05 0.03 0.00 1.00 0.00 0.00 33.01 30.83 1o5p s GLN 94 CO 0.09 0.67 0.24 0.08 -2.12 0.00 0.00 175.29 174.26 1o5p s VAL 95 N -1.28 4.78 0.03 1.09 1.01 0.15 -2.25 120.40 123.92 1o5p s VAL 95 Ca 0.26 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 1o5p s VAL 95 Cb -0.12 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1o5p s VAL 95 CO 0.17 -0.28 0.04 0.61 0.00 0.00 0.00 175.10 175.64 1o5p n GLY 96 N 5.05 3.11 3.69 4.51 0.00 -1.05 0.34 105.19 120.82 1o5p n GLY 96 Ca -0.11 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.67 0.99 4.32 -1.23 -2.13 117.00 115.28 1o5p n LEU 97 Ca 0.00 -2.97 -0.02 0.00 -0.02 0.00 0.00 56.01 53.00 1o5p n LEU 97 Cb 0.04 0.14 -0.01 0.00 -1.62 0.00 0.00 43.42 41.97 1o5p n LEU 97 CO 0.02 -0.52 0.87 -0.94 -1.22 0.00 0.00 177.39 175.60 1o5p s SER 98 N -4.00 -0.14 0.00 -1.43 1.04 -0.21 -4.34 113.70 104.62 1o5p s SER 98 Ca 0.17 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1o5p s SER 98 Cb -0.01 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1o5p s SER 98 CO 0.11 -0.59 0.00 -0.90 0.98 0.00 0.00 173.24 172.84 1o5p n ASP 99 N -0.43 1.76 -1.57 7.02 5.75 -1.23 0.26 116.55 128.10 1o5p n ASP 99 Ca -0.07 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.56 1o5p n ASP 99 Cb 0.61 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.80 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 4.70 -0.01 2.12 0.00 -1.26 -4.63 120.51 118.43 1o5p n ALA 100 Ca 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 53.44 49.87 1o5p n ALA 100 Cb 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 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 1.94 0.00 0.00 0.00 -1.26 -5.02 120.51 115.29 1o5p n ALA 101 Ca 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1o5p n ALA 101 Cb 0.89 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.60 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 3.00 1.13 3.03 0.00 0.00 -1.26 -5.14 105.19 105.96 1o5p n GLY 102 Ca -0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.84 -0.30 1.61 5.03 -1.26 -4.98 115.26 113.51 1o5p n ASN 103 Ca 0.00 -2.30 0.00 0.00 0.87 0.00 0.00 54.58 53.15 1o5p n ASN 103 Cb 0.00 3.07 0.00 0.00 -1.02 0.00 0.00 39.78 41.83 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 -0.43 2.21 3.01 7.41 0.00 -1.26 -3.56 105.19 112.57 1o5p n GLY 104 Ca -0.07 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.34 -1.70 1.61 -0.02 -1.26 -4.90 135.00 127.38 1o5p n PRO 105 Ca 0.00 -0.39 -0.15 0.00 -2.02 0.00 0.00 63.50 60.94 1o5p n PRO 105 Cb 0.00 -1.34 0.08 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 -0.39 -0.02 -4.56 -0.52 0.28 -1.26 -4.54 120.64 109.63 1o5p n GLU 106 Ca 0.02 -1.61 -0.26 0.00 -0.16 0.00 0.00 57.16 55.15 1o5p n GLU 106 Cb 0.41 -0.50 -0.11 0.00 1.43 0.00 0.00 31.44 32.68 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 -4.21 2.28 -0.16 -1.84 0.00 -1.26 -3.57 107.32 98.56 1o5p s GLY 107 Ca 0.42 -2.16 -0.06 0.00 0.00 0.00 0.00 44.72 42.92 1o5p s GLY 107 CO 0.28 -2.03 0.06 0.14 0.00 0.00 0.00 173.10 171.55 1o5p s VAL 108 N -2.71 4.78 -0.18 1.40 1.01 0.15 -4.74 120.40 120.11 1o5p s VAL 108 Ca 0.33 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 1o5p s VAL 108 Cb 0.06 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1o5p s VAL 108 CO 0.17 0.50 1.33 0.00 0.00 0.00 0.00 175.10 177.09 1o5p s ALA 109 N 0.01 3.59 0.46 5.51 0.00 -1.26 0.32 121.76 130.39 1o5p s ALA 109 Ca 0.06 0.44 0.06 0.00 0.00 0.00 0.00 51.96 52.52 1o5p s ALA 109 Cb -0.12 -3.67 0.02 0.00 0.00 0.00 0.00 23.12 19.34 1o5p s ALA 109 CO 0.01 -1.34 0.63 0.96 0.00 0.00 0.00 175.76 176.02 1o5p s ILE 110 N 3.79 2.90 0.04 0.00 -4.36 -1.04 -4.83 121.20 117.71 1o5p s ILE 110 Ca 0.58 -0.90 -0.02 0.00 -0.26 0.00 0.00 60.65 60.05 1o5p s ILE 110 Cb -0.22 -2.99 -0.03 0.00 1.25 0.00 0.00 42.46 40.47 1o5p s ILE 110 CO 0.18 0.00 0.00 -0.44 0.24 0.00 0.00 174.94 174.92 1o5p s SER 111 N -4.38 0.36 -0.24 4.36 0.01 0.20 -4.67 113.70 109.34 1o5p s SER 111 Ca 0.56 -0.79 -0.01 0.00 1.31 0.00 0.00 55.95 57.01 1o5p s SER 111 Cb -0.10 0.19 0.07 0.00 0.21 0.00 0.00 66.02 66.39 1o5p s SER 111 CO 0.35 -0.52 0.04 -0.36 0.41 0.00 0.00 173.24 173.16 1o5p s PHE 112 N -3.14 1.53 -1.86 2.43 0.40 -1.26 -2.85 117.98 113.23 1o5p s PHE 112 Ca -0.00 -1.35 0.00 0.00 -0.60 0.00 0.00 56.93 54.98 1o5p s PHE 112 Cb 0.02 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.17 1o5p s PHE 112 CO -0.07 -0.74 0.47 0.27 0.70 0.00 0.00 175.22 175.85