#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 0.55 0.83 0.00 0.00 -1.26 -4.56 121.76 117.32 1o5p s ALA 2 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 51.96 51.23 1o5p s ALA 2 Cb 0.00 -3.03 0.10 0.00 0.00 0.00 0.00 23.12 20.19 1o5p s ALA 2 CO 0.00 -3.35 1.18 -2.14 0.00 0.00 0.00 175.76 171.46 1o5p s PRO 3 N -5.09 1.50 -0.01 0.00 0.02 -0.63 -4.12 135.00 126.66 1o5p s PRO 3 Ca 0.68 1.68 -0.29 0.00 0.02 0.00 0.00 61.00 63.09 1o5p s PRO 3 Cb -0.16 -1.77 0.10 0.00 0.02 0.00 0.00 34.50 32.70 1o5p s PRO 3 CO 0.58 -2.30 0.92 0.95 -0.33 0.00 0.00 177.00 176.82 1o5p s THR 4 N -2.31 0.00 -0.16 0.99 -4.23 1.08 -4.84 115.64 106.16 1o5p s THR 4 Ca 0.71 -0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 61.11 1o5p s THR 4 Cb -0.26 -1.05 0.06 0.00 1.34 0.00 0.00 72.50 72.59 1o5p s THR 4 CO 0.53 0.00 0.37 0.00 -0.54 0.00 0.00 174.62 174.98 1o5p s ALA 5 N -3.06 -0.94 -0.41 3.99 0.00 -1.26 0.20 121.76 120.27 1o5p s ALA 5 Ca 0.06 1.39 -0.09 0.00 0.00 0.00 0.00 51.96 53.32 1o5p s ALA 5 Cb -0.01 -0.94 0.08 0.00 0.00 0.00 0.00 23.12 22.25 1o5p s ALA 5 CO -0.08 -0.35 0.25 0.95 0.00 0.00 0.00 175.76 176.53 1o5p s THR 6 N 1.63 4.18 -0.22 0.00 -4.23 -0.22 -4.80 115.64 111.99 1o5p s THR 6 Ca -0.08 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 1o5p s THR 6 Cb -0.10 -3.56 0.04 0.00 1.34 0.00 0.00 72.50 70.22 1o5p s THR 6 CO -0.12 -0.50 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.63 1o5p s VAL 7 N 1.42 2.21 -0.07 2.29 1.01 -1.24 0.12 120.40 126.15 1o5p s VAL 7 Ca 0.03 -1.23 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 1o5p s VAL 7 Cb -0.23 -2.11 0.09 0.00 0.00 0.00 0.00 36.38 34.13 1o5p s VAL 7 CO 0.02 0.27 0.77 -0.89 0.00 0.00 0.00 175.10 175.26 1o5p s THR 8 N 1.22 0.00 0.46 3.92 2.01 -0.59 -4.37 115.64 118.29 1o5p s THR 8 Ca -0.01 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.78 1o5p s THR 8 Cb -0.16 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.25 1o5p s THR 8 CO -0.09 0.00 0.99 -2.16 -0.69 0.00 0.00 174.62 172.67 1o5p s PRO 9 N -1.36 4.04 0.08 4.92 0.04 -1.26 -0.85 135.00 140.61 1o5p s PRO 9 Ca -0.07 1.21 0.17 0.00 0.04 0.00 0.00 61.00 62.34 1o5p s PRO 9 Cb -0.00 -2.14 -0.12 0.00 0.04 0.00 0.00 34.50 32.27 1o5p s PRO 9 CO 0.06 -0.20 0.86 0.66 0.04 0.00 0.00 177.00 178.41 1o5p h SER 10 N 1.72 0.00 -4.12 6.66 4.64 -1.90 -3.45 113.55 117.10 1o5p h SER 10 Ca -0.49 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.49 1o5p h SER 10 Cb 1.20 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 1o5p h SER 10 CO 0.60 0.55 -0.66 -0.94 -0.87 0.00 0.00 176.83 175.51 1o5p s SER 11 N -5.79 1.60 -0.31 4.97 1.04 -1.26 0.44 113.70 114.39 1o5p s SER 11 Ca -0.03 -1.18 -0.02 0.00 0.48 0.00 0.00 55.95 55.21 1o5p s SER 11 Cb 0.09 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1o5p s SER 11 CO 0.81 -0.52 0.21 0.61 0.98 0.00 0.00 173.24 175.33 1o5p n GLY 12 N -0.33 0.56 0.13 7.32 0.00 -1.19 -4.89 105.19 106.78 1o5p n GLY 12 Ca -0.06 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.33 2.44 -0.93 0.99 4.77 -1.26 -5.05 117.00 116.62 1o5p n LEU 13 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1o5p n LEU 13 Cb 0.52 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1o5p n LEU 13 CO 0.13 0.70 -0.27 -0.24 -1.33 0.00 0.00 177.39 176.37 1o5p n SER 14 N -3.76 -5.27 -4.48 -1.43 2.88 -1.26 -3.84 113.62 96.46 1o5p n SER 14 Ca -0.36 0.86 -0.45 0.00 -1.33 0.00 0.00 58.87 57.59 1o5p n SER 14 Cb 0.93 -2.46 -0.08 0.00 -0.75 0.00 0.00 64.21 61.86 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 -1.36 1.72 0.00 -3.46 5.75 -1.26 -1.94 116.55 116.00 1o5p n ASP 15 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 1o5p n ASP 15 Cb 0.10 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 38.93 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 6.43 1.55 0.49 6.12 0.00 -1.26 -5.05 105.19 113.45 1o5p n GLY 16 Ca 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.60 0.00 -4.49 2.61 5.66 -0.82 -4.95 114.28 111.69 1o5p n THR 17 Ca 0.00 -0.26 -0.20 0.00 -3.05 0.00 0.00 64.05 60.54 1o5p n THR 17 Cb 0.00 -0.74 -0.15 0.00 -1.55 0.00 0.00 70.33 67.89 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 0.20 0.89 0.20 1.08 1.01 -1.26 -1.90 120.40 120.63 1o5p s VAL 18 Ca 0.06 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 61.65 1o5p s VAL 18 Cb -0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1o5p s VAL 18 CO 0.04 0.25 -0.12 0.68 0.00 0.00 0.00 175.10 175.94 1o5p s VAL 19 N -0.27 2.98 -0.36 2.92 -7.23 0.16 -4.74 120.40 113.87 1o5p s VAL 19 Ca 0.04 -1.83 -0.08 0.00 -1.81 0.00 0.00 61.98 58.31 1o5p s VAL 19 Cb -0.04 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.45 1o5p s VAL 19 CO -0.00 -0.17 0.15 -0.75 -0.31 0.00 0.00 175.10 174.02 1o5p s LYS 20 N -2.95 2.64 -0.23 4.82 2.47 -0.03 -0.97 119.74 125.50 1o5p s LYS 20 Ca 0.25 -1.22 -0.07 0.00 -1.56 0.00 0.00 55.97 53.37 1o5p s LYS 20 Cb -0.08 -3.57 -0.03 0.00 -1.46 0.00 0.00 37.83 32.69 1o5p s LYS 20 CO 0.15 -0.73 0.05 0.54 0.16 0.00 0.00 175.35 175.52 1o5p s VAL 21 N 1.43 4.29 0.35 4.02 0.11 -0.81 -1.54 120.40 128.25 1o5p s VAL 21 Ca 0.00 -0.19 0.09 0.00 -2.93 0.00 0.00 61.98 58.95 1o5p s VAL 21 Cb -0.20 -2.98 -0.05 0.00 -1.53 0.00 0.00 36.38 31.62 1o5p s VAL 21 CO 0.03 0.38 0.05 0.00 -3.33 0.00 0.00 175.10 172.23 1o5p s ALA 22 N 1.30 3.28 -0.22 1.54 0.00 0.33 -2.28 121.76 125.71 1o5p s ALA 22 Ca 0.05 -1.96 -0.04 0.00 0.00 0.00 0.00 51.96 50.01 1o5p s ALA 22 Cb -0.15 -0.42 0.10 0.00 0.00 0.00 0.00 23.12 22.65 1o5p s ALA 22 CO 0.03 0.04 0.22 0.20 0.00 0.00 0.00 175.76 176.24 1o5p s GLY 23 N -3.75 0.03 0.00 0.00 0.00 0.19 -1.06 107.32 102.74 1o5p s GLY 23 Ca 0.36 0.06 0.06 0.00 0.00 0.00 0.00 44.72 45.20 1o5p s GLY 23 CO 0.20 2.19 -0.19 0.00 0.00 0.00 0.00 173.10 175.30 1o5p s ALA 24 N 2.31 2.49 0.00 3.20 0.00 0.53 0.67 121.76 130.96 1o5p s ALA 24 Ca 0.07 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1o5p s ALA 24 Cb -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1o5p s ALA 24 CO -0.16 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1o5p n GLY 25 N 1.99 0.60 3.99 0.00 0.00 -0.88 0.35 105.19 111.23 1o5p n GLY 25 Ca -0.16 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 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 3.23 -0.85 0.99 1.43 -0.77 -1.61 118.68 121.11 1o5p s LEU 26 Ca 0.00 -0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 1o5p s LEU 26 Cb 0.00 -2.50 -0.18 0.00 0.03 0.00 0.00 46.19 43.54 1o5p s LEU 26 CO 0.00 -1.29 2.61 0.00 0.23 0.00 0.00 176.35 177.91 1o5p n GLN 27 N -2.38 0.27 -1.17 1.70 3.00 -1.26 -4.11 117.38 113.42 1o5p n GLN 27 Ca 0.10 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.87 1o5p n GLN 27 Cb 0.60 -2.00 -0.11 0.00 0.00 0.00 0.00 30.24 28.74 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 11.78 0.40 0.00 -1.58 0.00 -1.25 -1.33 120.51 128.54 1o5p n ALA 28 Ca 0.58 -2.22 0.00 0.00 0.00 0.00 0.00 53.44 51.80 1o5p n ALA 28 Cb 0.16 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.46 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 5.56 0.24 2.67 0.00 0.00 0.97 -4.80 105.19 109.83 1o5p n GLY 29 Ca 0.38 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.29 -0.19 -0.39 2.61 -4.23 -0.44 -4.88 115.64 107.83 1o5p s THR 30 Ca 0.00 -0.16 -0.38 0.00 -1.18 0.00 0.00 61.69 59.98 1o5p s THR 30 Cb 0.00 -0.63 -0.13 0.00 1.34 0.00 0.00 72.50 73.08 1o5p s THR 30 CO 0.00 -0.26 2.18 0.00 -0.54 0.00 0.00 174.62 176.00 1o5p n ALA 31 N 5.30 0.85 -2.88 3.99 0.00 -1.26 -2.72 120.51 123.77 1o5p n ALA 31 Ca -0.06 0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 1o5p n ALA 31 Cb 0.49 -2.42 -0.04 0.00 0.00 0.00 0.00 19.45 17.48 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 6.97 3.50 0.20 0.00 2.02 0.17 -4.22 117.35 125.99 1o5p s TYR 32 Ca 1.12 0.25 0.04 0.00 -0.37 0.00 0.00 57.07 58.12 1o5p s TYR 32 Cb -1.03 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 38.73 1o5p s TYR 32 CO 0.54 0.52 0.29 -0.51 -1.57 0.00 0.00 175.55 174.81 1o5p s ASP 33 N -2.84 6.12 -0.14 2.29 1.01 0.70 -1.90 116.67 121.91 1o5p s ASP 33 Ca 0.36 0.03 -0.04 0.00 0.71 0.00 0.00 52.55 53.62 1o5p s ASP 33 Cb -0.12 -1.76 0.06 0.00 1.01 0.00 0.00 42.92 42.11 1o5p s ASP 33 CO 0.28 -0.01 0.14 0.54 0.21 0.00 0.00 175.17 176.33 1o5p s VAL 34 N -1.90 -0.20 0.13 -1.27 0.11 -0.88 -0.98 120.40 115.41 1o5p s VAL 34 Ca 0.34 0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.34 1o5p s VAL 34 Cb -0.10 -0.47 0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1o5p s VAL 34 CO 0.28 -0.09 0.54 0.61 -3.33 0.00 0.00 175.10 173.11 1o5p n GLY 35 N 5.31 1.04 3.41 6.54 0.00 -0.91 -0.58 105.19 119.99 1o5p n GLY 35 Ca -0.05 -1.07 -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 -2.03 2.88 0.06 1.61 -2.07 -1.26 -2.54 119.66 116.31 1o5p s GLN 36 Ca 0.12 -1.10 0.05 0.00 -1.82 0.00 0.00 55.36 52.61 1o5p s GLN 36 Cb -0.02 -3.88 -0.03 0.00 -1.09 0.00 0.00 33.01 28.00 1o5p s GLN 36 CO 0.04 -0.76 -0.13 0.00 -1.32 0.00 0.00 175.29 173.11 1o5p s ALA 38 N -1.14 1.74 -0.35 0.00 0.00 -0.76 -1.77 121.76 119.48 1o5p s ALA 38 Ca -0.02 -0.90 -0.17 0.00 0.00 0.00 0.00 51.96 50.88 1o5p s ALA 38 Cb -0.09 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 1o5p s ALA 38 CO 0.02 0.42 0.45 -1.58 0.00 0.00 0.00 175.76 175.07 1o5p s TRP 39 N -0.47 3.19 -0.84 0.00 0.51 -1.26 -1.73 118.94 118.34 1o5p s TRP 39 Ca 0.08 0.06 0.16 0.00 -2.12 0.00 0.00 56.10 54.27 1o5p s TRP 39 Cb -0.08 -2.83 0.59 0.00 -0.81 0.00 0.00 33.47 30.34 1o5p s TRP 39 CO -0.01 -0.51 1.50 1.33 -0.51 0.00 0.00 176.95 178.75 1o5p n VAL 40 N 5.36 1.78 -1.38 4.03 0.24 -0.90 -4.75 118.33 122.71 1o5p n VAL 40 Ca -0.07 -1.32 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 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 0.60 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 113.05 1o5p n ASP 41 Ca 0.22 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.34 1o5p n ASP 41 Cb 0.80 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 -2.42 3.48 0.00 -3.53 -4.23 -1.26 -2.90 115.64 104.78 1o5p s THR 42 Ca 0.00 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1o5p s THR 42 Cb 0.00 -4.24 0.00 0.00 1.34 0.00 0.00 72.50 69.60 1o5p s THR 42 CO 0.00 -1.19 0.00 0.61 -0.54 0.00 0.00 174.62 173.50 1o5p n GLY 43 N 5.86 0.75 3.09 3.99 0.00 -1.26 -5.05 105.19 112.57 1o5p n GLY 43 Ca 0.20 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 2.58 -0.34 1.61 1.01 -1.14 -4.99 120.40 117.12 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 -2.63 0.08 0.00 0.00 0.00 0.00 36.38 33.83 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 1.10 4.44 -0.43 3.92 2.96 -1.26 -2.11 118.68 127.30 1o5p s LEU 45 Ca -0.01 -1.71 -0.17 0.00 -0.22 0.00 0.00 54.13 52.02 1o5p s LEU 45 Cb -0.20 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.81 1o5p s LEU 45 CO -0.04 -0.36 0.41 0.00 -1.32 0.00 0.00 176.35 175.04 1o5p s ALA 46 N 1.12 3.44 0.32 5.97 0.00 -0.70 -3.47 121.76 128.44 1o5p s ALA 46 Ca 0.02 -1.60 0.08 0.00 0.00 0.00 0.00 51.96 50.46 1o5p s ALA 46 Cb -0.21 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1o5p s ALA 46 CO -0.04 -1.59 0.21 0.00 0.00 0.00 0.00 175.76 174.34 1o5p s ASN 48 N -3.90 4.62 0.00 0.00 3.84 -0.85 -0.66 114.94 117.99 1o5p s ASN 48 Ca 0.38 -0.19 0.00 0.00 0.21 0.00 0.00 52.86 53.26 1o5p s ASN 48 Cb -0.05 -1.75 0.00 0.00 -0.55 0.00 0.00 41.25 38.90 1o5p s ASN 48 CO 0.25 0.15 0.29 -0.81 -2.79 0.00 0.00 177.10 174.18 1o5p n PRO 49 N 3.68 0.47 -0.10 0.43 -0.05 -1.26 -2.63 135.00 135.54 1o5p n PRO 49 Ca -0.18 0.00 0.09 0.00 -0.05 0.00 0.00 63.50 63.37 1o5p n PRO 49 Cb 0.52 -1.18 0.14 0.00 -0.05 0.00 0.00 33.50 32.93 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 0.09 2.41 -1.52 0.55 0.00 -1.26 -4.20 120.51 116.58 1o5p n ALA 50 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1o5p n ALA 50 Cb 0.09 -0.66 0.01 0.00 0.00 0.00 0.00 19.45 18.89 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 1.09 0.17 -4.54 0.00 5.75 -1.08 -2.42 116.55 115.52 1o5p n ASP 51 Ca 0.14 -1.67 -0.41 0.00 -0.01 0.00 0.00 54.79 52.83 1o5p n ASP 51 Cb 0.49 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.42 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 2.56 0.05 2.11 0.40 -1.25 -3.12 117.98 118.57 1o5p s PHE 52 Ca 0.01 -0.74 0.00 0.00 -0.60 0.00 0.00 56.93 55.61 1o5p s PHE 52 Cb 0.01 -4.62 0.00 0.00 0.51 0.00 0.00 43.02 38.93 1o5p s PHE 52 CO 0.00 -1.90 0.03 0.43 0.70 0.00 0.00 175.22 174.48 1o5p n SER 53 N 8.64 1.36 0.00 1.36 7.64 0.25 -4.94 113.62 127.94 1o5p n SER 53 Ca 0.24 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.93 1o5p n SER 53 Cb 0.50 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 -1.79 0.00 -3.65 6.43 2.88 -1.26 -2.08 113.62 114.15 1o5p n SER 54 Ca -0.01 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1o5p n SER 54 Cb 0.06 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.47 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 -0.69 0.06 -0.02 2.46 0.11 -0.80 -4.96 120.40 116.55 1o5p s VAL 55 Ca 0.00 -0.50 -0.07 0.00 -2.93 0.00 0.00 61.98 58.48 1o5p s VAL 55 Cb 0.00 -1.05 -0.05 0.00 -1.53 0.00 0.00 36.38 33.75 1o5p s VAL 55 CO 0.00 -0.28 0.25 -0.89 -3.33 0.00 0.00 175.10 170.85 1o5p s THR 56 N -3.08 5.33 -0.39 5.04 2.01 -1.26 0.41 115.64 123.70 1o5p s THR 56 Ca -0.02 0.22 -0.27 0.00 0.31 0.00 0.00 61.69 61.93 1o5p s THR 56 Cb 0.00 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1o5p s THR 56 CO -0.07 0.44 2.07 0.00 -0.69 0.00 0.00 174.62 176.38 1o5p s ALA 57 N -1.22 2.41 0.00 7.40 0.00 -1.10 -4.72 121.76 124.53 1o5p s ALA 57 Ca 0.24 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1o5p s ALA 57 Cb -0.13 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 18.83 1o5p s ALA 57 CO 0.13 -3.34 0.00 -3.47 0.00 0.00 0.00 175.76 169.08 1o5p n ASP 58 N 12.46 0.00 -0.12 0.00 2.03 -1.26 0.32 116.55 129.99 1o5p n ASP 58 Ca 0.28 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.54 1o5p n ASP 58 Cb 0.49 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.21 0.00 -1.67 0.00 -1.92 -3.12 119.26 110.76 1o5p h ALA 59 Ca 0.00 0.15 -0.32 0.00 0.00 0.00 0.00 54.91 54.74 1o5p h ALA 59 Cb 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1o5p h ALA 59 CO 0.00 -0.48 -2.22 0.09 0.00 0.00 0.00 179.25 176.63 1o5p n ASN 60 N -5.33 1.53 0.00 0.00 3.02 -1.26 -4.55 115.26 108.68 1o5p n ASN 60 Ca 0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1o5p n ASN 60 Cb 0.24 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1o5p n GLY 61 N 2.20 0.77 3.57 7.41 0.00 -1.18 -1.84 105.19 116.11 1o5p n GLY 61 Ca -0.34 -0.76 -0.36 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 -1.47 5.51 -0.20 1.61 0.01 -1.22 -2.07 113.70 115.87 1o5p s SER 62 Ca 0.00 -0.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.21 1o5p s SER 62 Cb 0.00 -1.97 0.06 0.00 0.21 0.00 0.00 66.02 64.32 1o5p s SER 62 CO 0.00 0.08 0.04 0.00 0.41 0.00 0.00 173.24 173.77 1o5p s ALA 63 N 0.94 1.03 -0.18 1.44 0.00 0.21 -4.67 121.76 120.53 1o5p s ALA 63 Ca 0.04 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 1o5p s ALA 63 Cb -0.14 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.78 1o5p s ALA 63 CO 0.03 -1.20 -0.14 -1.12 0.00 0.00 0.00 175.76 173.33 1o5p s SER 64 N 1.85 3.67 -0.11 0.00 0.01 -1.26 0.56 113.70 118.42 1o5p s SER 64 Ca -0.01 -0.50 -0.11 0.00 1.31 0.00 0.00 55.95 56.65 1o5p s SER 64 Cb -0.17 -1.58 0.03 0.00 0.21 0.00 0.00 66.02 64.50 1o5p s SER 64 CO -0.09 0.04 0.30 0.28 0.41 0.00 0.00 173.24 174.18 1o5p s THR 65 N 1.10 0.00 -0.18 1.44 -1.32 -0.97 -4.99 115.64 110.72 1o5p s THR 65 Ca 0.00 -0.01 -0.09 0.00 -1.21 0.00 0.00 61.69 60.39 1o5p s THR 65 Cb -0.14 -0.43 -0.05 0.00 -1.51 0.00 0.00 72.50 70.37 1o5p s THR 65 CO -0.04 -0.00 0.11 -0.94 -2.21 0.00 0.00 174.62 171.53 1o5p s SER 66 N 0.14 6.02 0.25 8.08 1.04 -1.26 -1.92 113.70 126.05 1o5p s SER 66 Ca -0.00 0.21 0.05 0.00 0.48 0.00 0.00 55.95 56.69 1o5p s SER 66 Cb -0.02 -2.03 -0.05 0.00 0.10 0.00 0.00 66.02 64.01 1o5p s SER 66 CO 0.00 0.21 -0.04 -1.48 0.98 0.00 0.00 173.24 172.92 1o5p s LEU 67 N 0.17 2.36 -0.23 2.42 0.05 -0.14 -4.90 118.68 118.40 1o5p s LEU 67 Ca 0.07 -1.18 -0.13 0.00 0.05 0.00 0.00 54.13 52.94 1o5p s LEU 67 Cb -0.12 -0.46 -0.04 0.00 -2.05 0.00 0.00 46.19 43.52 1o5p s LEU 67 CO -0.01 -0.41 0.27 0.42 -0.55 0.00 0.00 176.35 176.08 1o5p s THR 68 N -3.21 5.28 0.01 5.48 -4.23 -1.02 0.40 115.64 118.35 1o5p s THR 68 Ca 0.28 0.43 0.02 0.00 -1.18 0.00 0.00 61.69 61.23 1o5p s THR 68 Cb 0.04 -3.61 -0.01 0.00 1.34 0.00 0.00 72.50 70.26 1o5p s THR 68 CO 0.09 0.29 -0.05 0.68 -0.54 0.00 0.00 174.62 175.09 1o5p s VAL 69 N 1.26 0.39 0.00 2.29 -7.23 -0.80 -4.07 120.40 112.25 1o5p s VAL 69 Ca 0.13 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 1o5p s VAL 69 Cb -0.14 -0.39 0.00 0.00 0.56 0.00 0.00 36.38 36.41 1o5p s VAL 69 CO 0.06 -0.08 0.00 -2.11 -0.31 0.00 0.00 175.10 172.66 1o5p n ARG 70 N 2.43 0.00 0.00 4.82 1.85 -1.26 -4.19 116.66 120.30 1o5p n ARG 70 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 1o5p n ARG 70 Cb 0.57 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.98 1o5p n ARG 70 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1o5p n ARG 71 N 0.00 0.00 -2.23 2.89 1.74 -1.26 -4.66 116.66 113.14 1o5p n ARG 71 Ca 0.00 0.16 -0.41 0.00 -0.77 0.00 0.00 57.85 56.83 1o5p n ARG 71 Cb 0.00 -0.91 -0.03 0.00 -1.02 0.00 0.00 32.46 30.51 1o5p n ARG 71 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1o5p s SER 72 N -1.81 6.93 -0.28 0.55 1.04 -1.26 -0.03 113.70 118.83 1o5p s SER 72 Ca 0.00 2.47 -0.20 0.00 0.48 0.00 0.00 55.95 58.70 1o5p s SER 72 Cb 0.00 -2.63 0.08 0.00 0.10 0.00 0.00 66.02 63.57 1o5p s SER 72 CO 0.00 -0.46 0.71 0.72 0.98 0.00 0.00 173.24 175.19 1o5p s PHE 73 N -0.55 -0.95 -0.24 5.02 -0.71 -0.77 -4.85 117.98 114.94 1o5p s PHE 73 Ca 0.52 2.04 -0.24 0.00 -1.04 0.00 0.00 56.93 58.20 1o5p s PHE 73 Cb -0.37 0.48 -0.11 0.00 -1.21 0.00 0.00 43.02 41.82 1o5p s PHE 73 CO 0.44 -0.46 0.82 0.39 -1.34 0.00 0.00 175.22 175.06 1o5p n GLU 74 N 3.63 0.00 -1.06 1.99 -0.58 -1.26 -1.63 120.64 121.73 1o5p n GLU 74 Ca -0.17 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.38 1o5p n GLU 74 Cb 0.57 -0.79 -0.00 0.00 -0.57 0.00 0.00 31.44 30.65 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 1.99 4.08 3.27 0.62 0.00 -0.19 -2.58 105.19 112.37 1o5p n GLY 75 Ca 0.16 -1.31 -0.60 0.00 0.00 0.00 0.00 46.02 44.27 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 0.64 1.36 -3.07 1.61 3.01 0.17 -2.18 117.46 118.99 1o5p n PHE 76 Ca 0.35 0.90 -0.40 0.00 1.01 0.00 0.00 57.45 59.31 1o5p n PHE 76 Cb 0.58 -2.11 -0.05 0.00 -0.01 0.00 0.00 39.48 37.89 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 4.23 4.24 -0.26 4.37 2.96 -0.69 -1.69 118.68 131.84 1o5p s LEU 77 Ca 1.05 1.03 -0.02 0.00 -0.22 0.00 0.00 54.13 55.98 1o5p s LEU 77 Cb -1.40 -3.00 -0.02 0.00 0.50 0.00 0.00 46.19 42.26 1o5p s LEU 77 CO 0.69 -0.20 1.34 0.33 -1.32 0.00 0.00 176.35 177.19 1o5p n PHE 78 N 4.39 0.38 -1.90 5.38 7.35 -1.23 -2.87 117.46 128.97 1o5p n PHE 78 Ca -0.01 -0.87 0.00 0.00 -0.76 0.00 0.00 57.45 55.81 1o5p n PHE 78 Cb 0.50 -0.91 0.00 0.00 0.35 0.00 0.00 39.48 39.43 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 4.36 0.00 0.00 -2.13 2.03 -1.26 -4.98 116.55 114.57 1o5p n ASP 79 Ca 0.14 -0.90 0.00 0.00 0.52 0.00 0.00 54.79 54.55 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 2.76 3.89 0.27 0.00 -1.14 -4.99 105.19 105.99 1o5p n GLY 80 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1o5p n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o5p s THR 81 N -0.96 4.93 -0.17 2.61 -4.23 -1.26 -4.95 115.64 111.62 1o5p s THR 81 Ca 0.00 0.31 -0.07 0.00 -1.18 0.00 0.00 61.69 60.75 1o5p s THR 81 Cb 0.00 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 1o5p s THR 81 CO 0.00 -0.31 0.09 0.00 -0.54 0.00 0.00 174.62 173.85 1o5p s ARG 82 N -3.45 3.83 0.35 3.99 1.70 -1.26 -1.70 118.95 122.42 1o5p s ARG 82 Ca 0.47 -0.28 0.21 0.00 -0.47 0.00 0.00 55.73 55.66 1o5p s ARG 82 Cb -0.11 -3.22 0.21 0.00 -0.57 0.00 0.00 34.95 31.26 1o5p s ARG 82 CO 0.28 0.42 1.45 2.35 -1.08 0.00 0.00 175.30 178.72 1o5p h TRP 83 N 6.21 0.00 0.00 5.89 7.01 -1.76 -3.46 115.95 129.85 1o5p h TRP 83 Ca -0.43 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.57 1o5p h TRP 83 Cb 1.18 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.24 1o5p h TRP 83 CO 0.61 0.14 0.00 0.41 -2.79 0.00 0.00 178.44 176.81 1o5p n GLY 84 N 1.15 1.61 3.60 2.65 0.00 -1.26 -4.92 105.19 108.03 1o5p n GLY 84 Ca 0.02 -2.17 -0.43 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 -1.60 3.16 -0.61 2.61 -4.23 -1.26 -1.03 115.64 112.68 1o5p s THR 85 Ca 0.00 0.17 -0.26 0.00 -1.18 0.00 0.00 61.69 60.42 1o5p s THR 85 Cb 0.00 -3.21 0.04 0.00 1.34 0.00 0.00 72.50 70.66 1o5p s THR 85 CO 0.00 -0.13 1.13 -0.69 -0.54 0.00 0.00 174.62 174.39 1o5p s VAL 86 N 7.61 4.07 -0.26 2.29 1.01 -0.64 -4.74 120.40 129.75 1o5p s VAL 86 Ca 0.93 0.54 -0.29 0.00 0.00 0.00 0.00 61.98 63.17 1o5p s VAL 86 Cb -0.30 -4.72 -0.03 0.00 0.00 0.00 0.00 36.38 31.33 1o5p s VAL 86 CO 0.35 -1.40 1.84 -1.81 0.00 0.00 0.00 175.10 174.08 1o5p s ASP 87 N 3.15 5.97 0.00 3.32 1.11 -1.26 -1.84 116.67 127.12 1o5p s ASP 87 Ca 0.36 1.58 0.04 0.00 0.18 0.00 0.00 52.55 54.72 1o5p s ASP 87 Cb -0.10 -2.52 0.21 0.00 1.07 0.00 0.00 42.92 41.58 1o5p s ASP 87 CO 0.20 -1.60 0.95 0.00 1.18 0.00 0.00 175.17 175.90 1o5p n THR 89 N -1.27 0.02 -0.05 0.00 -2.24 -1.26 -4.08 114.28 105.40 1o5p n THR 89 Ca 0.02 -0.17 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 1o5p n THR 89 Cb 0.03 0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 1o5p n THR 89 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1o5p n THR 90 N -0.24 0.56 -3.72 4.28 -2.24 -0.06 -5.06 114.28 107.79 1o5p n THR 90 Ca 0.20 -0.15 -0.22 0.00 -2.27 0.00 0.00 64.05 61.62 1o5p n THR 90 Cb 0.26 -1.55 0.01 0.00 -2.10 0.00 0.00 70.33 66.95 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 -3.38 0.77 -2.88 6.98 0.00 -1.20 -5.10 120.51 115.70 1o5p n ALA 91 Ca -0.20 -1.88 -0.39 0.00 0.00 0.00 0.00 53.44 50.98 1o5p n ALA 91 Cb 0.65 0.74 -0.12 0.00 0.00 0.00 0.00 19.45 20.72 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 -2.67 3.27 -0.24 0.00 0.00 -1.26 -4.73 121.76 116.13 1o5p s ALA 92 Ca 0.30 -1.44 -0.13 0.00 0.00 0.00 0.00 51.96 50.69 1o5p s ALA 92 Cb -0.02 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1o5p s ALA 92 CO 0.19 -0.97 0.29 0.00 0.00 0.00 0.00 175.76 175.27 1o5p s GLN 94 N 1.46 3.18 -0.39 0.00 -0.21 -0.73 -2.51 119.66 120.46 1o5p s GLN 94 Ca 0.13 -0.45 -0.12 0.00 0.02 0.00 0.00 55.36 54.94 1o5p s GLN 94 Cb -0.15 -2.93 0.03 0.00 1.00 0.00 0.00 33.01 30.96 1o5p s GLN 94 CO 0.08 0.65 0.24 0.08 -2.12 0.00 0.00 175.29 174.22 1o5p s VAL 95 N -1.26 4.78 0.02 1.09 1.01 0.11 -2.30 120.40 123.86 1o5p s VAL 95 Ca 0.25 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 1o5p s VAL 95 Cb -0.12 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1o5p s VAL 95 CO 0.17 -0.29 0.03 0.61 0.00 0.00 0.00 175.10 175.62 1o5p n GLY 96 N 5.05 3.00 3.30 4.51 0.00 -1.05 0.40 105.19 120.39 1o5p n GLY 96 Ca -0.11 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.75 0.99 4.32 -1.23 -2.14 117.00 115.20 1o5p n LEU 97 Ca -0.00 -2.81 0.01 0.00 -0.02 0.00 0.00 56.01 53.19 1o5p n LEU 97 Cb 0.04 0.26 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 1o5p n LEU 97 CO 0.02 -0.43 1.02 -0.55 -1.22 0.00 0.00 177.39 176.23 1o5p s SER 98 N -3.58 -0.05 0.00 -1.43 0.15 -0.15 -4.31 113.70 104.33 1o5p s SER 98 Ca 0.05 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1o5p s SER 98 Cb -0.00 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1o5p s SER 98 CO 0.03 -0.41 0.00 -0.90 1.20 0.00 0.00 173.24 173.17 1o5p n ASP 99 N -0.70 1.45 -1.51 5.45 5.75 -1.23 0.25 116.55 126.02 1o5p n ASP 99 Ca -0.05 0.00 -0.13 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 40.80 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 4.58 -0.01 2.12 0.00 -1.26 -4.65 120.51 118.30 1o5p n ALA 100 Ca 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 53.44 49.85 1o5p n ALA 100 Cb 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.88 1.96 0.00 0.00 0.00 -1.26 -5.02 120.51 115.32 1o5p n ALA 101 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1o5p n ALA 101 Cb 0.87 0.28 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 3.03 1.08 3.12 0.00 0.00 -1.26 -5.14 105.19 106.02 1o5p n GLY 102 Ca -0.03 -0.08 -0.08 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 -1.88 -0.26 1.61 5.03 -1.26 -4.98 115.26 113.51 1o5p n ASN 103 Ca 0.00 -2.34 0.00 0.00 0.87 0.00 0.00 54.58 53.11 1o5p n ASN 103 Cb 0.00 3.15 0.00 0.00 -1.02 0.00 0.00 39.78 41.91 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 -0.45 1.66 3.15 7.41 0.00 -1.26 -3.48 105.19 112.22 1o5p n GLY 104 Ca -0.07 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.51 -1.77 1.61 -0.02 -1.26 -4.86 135.00 128.20 1o5p n PRO 105 Ca 0.00 -0.14 -0.16 0.00 -2.02 0.00 0.00 63.50 61.18 1o5p n PRO 105 Cb 0.00 -1.35 0.09 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 0.44 -0.08 -4.59 -0.52 0.28 -1.26 -4.40 120.64 110.51 1o5p n GLU 106 Ca 0.00 -1.71 -0.30 0.00 -0.16 0.00 0.00 57.16 54.99 1o5p n GLU 106 Cb 0.64 -0.54 -0.08 0.00 1.43 0.00 0.00 31.44 32.88 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 -4.35 2.76 -0.12 -1.84 0.00 -1.26 -3.47 107.32 99.04 1o5p s GLY 107 Ca 0.45 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.01 1o5p s GLY 107 CO 0.30 -2.12 -0.09 0.14 0.00 0.00 0.00 173.10 171.33 1o5p s VAL 108 N -2.80 3.40 -0.00 1.40 1.01 0.16 -4.77 120.40 118.81 1o5p s VAL 108 Ca 0.20 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1o5p s VAL 108 Cb 0.04 -2.43 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 1o5p s VAL 108 CO 0.11 0.53 1.44 0.00 0.00 0.00 0.00 175.10 177.18 1o5p s ALA 109 N 0.07 3.60 0.49 5.51 0.00 -1.26 0.09 121.76 130.26 1o5p s ALA 109 Ca -0.03 0.91 0.06 0.00 0.00 0.00 0.00 51.96 52.90 1o5p s ALA 109 Cb -0.14 -3.62 0.03 0.00 0.00 0.00 0.00 23.12 19.39 1o5p s ALA 109 CO 0.04 -0.98 0.68 0.96 0.00 0.00 0.00 175.76 176.45 1o5p s ILE 110 N 2.59 2.75 0.10 0.00 -4.36 -1.04 -4.83 121.20 116.40 1o5p s ILE 110 Ca 0.65 -0.89 0.01 0.00 -0.26 0.00 0.00 60.65 60.16 1o5p s ILE 110 Cb -0.32 -2.86 -0.04 0.00 1.25 0.00 0.00 42.46 40.49 1o5p s ILE 110 CO 0.27 0.00 -0.03 -0.44 0.24 0.00 0.00 174.94 174.98 1o5p s SER 111 N -4.43 0.84 -0.41 4.36 0.01 0.17 -4.78 113.70 109.47 1o5p s SER 111 Ca 0.57 -1.05 0.02 0.00 1.31 0.00 0.00 55.95 56.80 1o5p s SER 111 Cb -0.09 0.16 0.15 0.00 0.21 0.00 0.00 66.02 66.44 1o5p s SER 111 CO 0.36 -0.55 0.27 -0.36 0.41 0.00 0.00 173.24 173.37 1o5p s PHE 112 N -3.77 1.25 -2.00 2.43 0.08 -1.26 -3.15 117.98 111.55 1o5p s PHE 112 Ca 0.13 -2.09 0.03 0.00 0.12 0.00 0.00 56.93 55.12 1o5p s PHE 112 Cb 0.07 -1.21 0.17 0.00 -0.57 0.00 0.00 43.02 41.48 1o5p s PHE 112 CO -0.05 -0.80 0.66 0.27 -0.10 0.00 0.00 175.22 175.20