#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 3.50 0.79 0.00 0.00 -1.26 -4.94 121.76 119.84 1o5p s ALA 2 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.11 1o5p s ALA 2 Cb 0.00 -2.43 0.07 0.00 0.00 0.00 0.00 23.12 20.77 1o5p s ALA 2 CO 0.00 -0.39 1.20 -1.25 0.00 0.00 0.00 175.76 175.32 1o5p s PRO 3 N -4.68 1.78 0.11 0.00 0.04 0.02 -4.56 135.00 127.71 1o5p s PRO 3 Ca 0.47 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 63.09 1o5p s PRO 3 Cb -0.10 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.67 1o5p s PRO 3 CO 0.42 -2.10 0.38 0.95 0.04 0.00 0.00 177.00 176.69 1o5p s THR 4 N -2.15 0.08 -0.10 1.26 -4.23 1.03 -4.89 115.64 106.64 1o5p s THR 4 Ca 0.73 -0.63 -0.04 0.00 -1.18 0.00 0.00 61.69 60.57 1o5p s THR 4 Cb -0.28 -1.16 0.05 0.00 1.34 0.00 0.00 72.50 72.45 1o5p s THR 4 CO 0.49 -0.35 0.21 0.00 -0.54 0.00 0.00 174.62 174.44 1o5p s ALA 5 N -3.68 -0.39 -0.30 3.99 0.00 -1.26 0.25 121.76 120.37 1o5p s ALA 5 Ca 0.02 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 52.78 1o5p s ALA 5 Cb 0.02 -0.74 0.06 0.00 0.00 0.00 0.00 23.12 22.46 1o5p s ALA 5 CO -0.11 -0.39 -0.01 -0.08 0.00 0.00 0.00 175.76 175.17 1o5p s THR 6 N 1.79 2.83 -0.05 0.00 -1.32 -0.29 -4.86 115.64 113.74 1o5p s THR 6 Ca -0.04 -1.49 0.04 0.00 -1.21 0.00 0.00 61.69 58.99 1o5p s THR 6 Cb -0.11 -2.66 -0.02 0.00 -1.51 0.00 0.00 72.50 68.19 1o5p s THR 6 CO -0.07 -0.13 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.35 1o5p s VAL 7 N 1.21 2.92 -0.20 5.08 1.01 -1.26 -0.35 120.40 128.81 1o5p s VAL 7 Ca -0.05 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 1o5p s VAL 7 Cb -0.20 -2.13 0.15 0.00 0.00 0.00 0.00 36.38 34.20 1o5p s VAL 7 CO -0.02 0.59 1.11 -0.89 0.00 0.00 0.00 175.10 175.88 1o5p s THR 8 N -0.70 0.00 0.53 3.92 2.01 -0.17 -4.45 115.64 116.79 1o5p s THR 8 Ca 0.11 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.93 1o5p s THR 8 Cb -0.11 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.34 1o5p s THR 8 CO 0.00 0.00 1.04 -2.16 -0.69 0.00 0.00 174.62 172.81 1o5p s PRO 9 N -0.97 3.63 0.05 4.92 0.05 -1.26 -0.47 135.00 140.95 1o5p s PRO 9 Ca 0.02 1.25 0.15 0.00 0.05 0.00 0.00 61.00 62.46 1o5p s PRO 9 Cb -0.01 -2.07 -0.15 0.00 0.05 0.00 0.00 34.50 32.31 1o5p s PRO 9 CO -0.02 -0.56 0.86 0.77 0.05 0.00 0.00 177.00 178.10 1o5p h SER 10 N 1.05 0.00 -4.82 6.66 0.02 -1.91 -3.45 113.55 111.10 1o5p h SER 10 Ca -0.48 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.19 1o5p h SER 10 Cb 1.22 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.61 1o5p h SER 10 CO 0.59 0.74 -0.64 -0.94 -1.14 0.00 0.00 176.83 175.43 1o5p s SER 11 N -6.01 0.90 -0.22 3.07 1.04 -1.26 0.57 113.70 111.79 1o5p s SER 11 Ca -0.03 -1.26 -0.01 0.00 0.48 0.00 0.00 55.95 55.13 1o5p s SER 11 Cb 0.08 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1o5p s SER 11 CO 0.81 -0.68 0.13 0.61 0.98 0.00 0.00 173.24 175.09 1o5p n GLY 12 N -0.28 0.61 0.13 7.32 0.00 -1.14 -4.90 105.19 106.94 1o5p n GLY 12 Ca -0.04 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.97 2.51 -0.96 0.99 4.77 -1.26 -5.05 117.00 117.03 1o5p n LEU 13 Ca -0.01 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1o5p n LEU 13 Cb 0.51 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1o5p n LEU 13 CO 0.08 0.74 -0.28 -0.24 -1.33 0.00 0.00 177.39 176.36 1o5p n SER 14 N -3.67 -5.42 -4.48 -1.43 2.88 -1.26 -3.85 113.62 96.38 1o5p n SER 14 Ca -0.37 0.91 -0.45 0.00 -1.33 0.00 0.00 58.87 57.63 1o5p n SER 14 Cb 0.96 -2.59 -0.08 0.00 -0.75 0.00 0.00 64.21 61.75 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 -1.43 1.81 0.00 -3.46 5.75 -1.26 -1.98 116.55 115.97 1o5p n ASP 15 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 1o5p n ASP 15 Cb 0.12 -1.27 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 6.42 1.55 0.96 6.12 0.00 -1.26 -5.05 105.19 113.93 1o5p n GLY 16 Ca 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.43 0.00 -4.70 2.61 5.66 -0.84 -4.96 114.28 111.62 1o5p n THR 17 Ca 0.00 -0.52 -0.23 0.00 -3.05 0.00 0.00 64.05 60.25 1o5p n THR 17 Cb 0.00 -0.59 -0.15 0.00 -1.55 0.00 0.00 70.33 68.04 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 1.19 0.19 1.08 1.01 -1.26 -2.02 120.40 120.23 1o5p s VAL 18 Ca 0.11 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1o5p s VAL 18 Cb -0.01 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1o5p s VAL 18 CO 0.07 0.34 -0.09 0.68 0.00 0.00 0.00 175.10 176.09 1o5p s VAL 19 N -0.27 3.18 -0.36 2.92 -7.23 0.18 -4.75 120.40 114.07 1o5p s VAL 19 Ca 0.04 -1.69 -0.09 0.00 -1.81 0.00 0.00 61.98 58.43 1o5p s VAL 19 Cb -0.07 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.32 1o5p s VAL 19 CO -0.00 -0.13 0.16 -0.75 -0.31 0.00 0.00 175.10 174.07 1o5p s LYS 20 N -2.90 2.70 -0.11 4.82 2.20 0.38 -0.88 119.74 125.96 1o5p s LYS 20 Ca 0.25 -1.16 -0.05 0.00 -0.36 0.00 0.00 55.97 54.65 1o5p s LYS 20 Cb -0.09 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1o5p s LYS 20 CO 0.15 -0.71 0.10 0.54 -0.36 0.00 0.00 175.35 175.07 1o5p s VAL 21 N 1.47 5.12 0.13 4.02 0.11 -0.83 -1.00 120.40 129.43 1o5p s VAL 21 Ca 0.00 0.06 0.05 0.00 -2.93 0.00 0.00 61.98 59.16 1o5p s VAL 21 Cb -0.20 -3.21 -0.04 0.00 -1.53 0.00 0.00 36.38 31.40 1o5p s VAL 21 CO 0.04 0.61 -0.11 0.00 -3.33 0.00 0.00 175.10 172.32 1o5p s ALA 22 N -0.99 1.40 -0.19 1.54 0.00 0.53 -1.43 121.76 122.62 1o5p s ALA 22 Ca 0.15 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 50.66 1o5p s ALA 22 Cb -0.12 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.09 1o5p s ALA 22 CO 0.04 -0.05 0.11 0.20 0.00 0.00 0.00 175.76 176.06 1o5p s GLY 23 N -2.90 0.32 -0.04 0.00 0.00 0.22 -1.14 107.32 103.76 1o5p s GLY 23 Ca 0.13 -0.32 0.05 0.00 0.00 0.00 0.00 44.72 44.58 1o5p s GLY 23 CO 0.01 1.83 -0.18 0.00 0.00 0.00 0.00 173.10 174.77 1o5p s ALA 24 N 2.16 2.52 0.00 3.20 0.00 0.69 0.54 121.76 130.88 1o5p s ALA 24 Ca 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1o5p s ALA 24 Cb -0.16 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1o5p s ALA 24 CO -0.13 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.58 1o5p n GLY 25 N 2.37 0.71 3.98 0.00 0.00 -0.93 0.34 105.19 111.67 1o5p n GLY 25 Ca -0.17 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 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 3.05 -0.89 0.99 1.43 -0.81 -0.80 118.68 121.65 1o5p s LEU 26 Ca 0.00 -0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 52.61 1o5p s LEU 26 Cb 0.00 -2.26 -0.21 0.00 0.03 0.00 0.00 46.19 43.74 1o5p s LEU 26 CO 0.00 -1.64 2.51 0.00 0.23 0.00 0.00 176.35 177.45 1o5p n GLN 27 N -2.69 0.23 -1.18 1.70 3.00 -1.26 -4.14 117.38 113.04 1o5p n GLN 27 Ca 0.13 -0.07 -0.19 0.00 -0.01 0.00 0.00 57.00 56.86 1o5p n GLN 27 Cb 0.60 -1.91 -0.10 0.00 0.00 0.00 0.00 30.24 28.84 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 11.02 0.38 0.00 -1.58 0.00 -1.24 -1.27 120.51 127.82 1o5p n ALA 28 Ca 0.60 -2.08 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1o5p n ALA 28 Cb 0.18 -2.86 0.00 0.00 0.00 0.00 0.00 19.45 16.77 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 5.45 0.50 2.90 0.00 0.00 0.91 -4.82 105.19 110.13 1o5p n GLY 29 Ca 0.35 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.22 1o5p n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1o5p s THR 30 N -0.62 -0.41 -0.07 2.61 -1.32 -0.40 -4.88 115.64 110.55 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 70.22 1o5p s THR 30 CO 0.00 -0.05 1.37 0.00 -2.21 0.00 0.00 174.62 173.74 1o5p n ALA 31 N 5.34 -1.57 -2.44 11.08 0.00 -1.26 -2.69 120.51 128.96 1o5p n ALA 31 Ca -0.05 0.51 -0.29 0.00 0.00 0.00 0.00 53.44 53.60 1o5p n ALA 31 Cb 0.50 -2.01 -0.12 0.00 0.00 0.00 0.00 19.45 17.82 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 1.19 2.45 0.11 0.00 2.02 0.15 -4.53 117.35 118.74 1o5p s TYR 32 Ca 0.91 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 57.32 1o5p s TYR 32 Cb -1.11 -1.32 -0.04 0.00 -0.40 0.00 0.00 41.96 39.08 1o5p s TYR 32 CO 0.57 0.35 0.22 -0.51 -1.57 0.00 0.00 175.55 174.61 1o5p s ASP 33 N -2.01 6.20 -0.08 2.29 1.11 0.72 -1.87 116.67 123.03 1o5p s ASP 33 Ca 0.16 0.16 -0.02 0.00 0.18 0.00 0.00 52.55 53.04 1o5p s ASP 33 Cb -0.10 -1.85 0.03 0.00 1.07 0.00 0.00 42.92 42.07 1o5p s ASP 33 CO 0.08 0.11 0.03 0.54 1.18 0.00 0.00 175.17 177.11 1o5p s VAL 34 N -1.62 0.20 0.21 -1.27 0.11 -0.95 -1.09 120.40 115.99 1o5p s VAL 34 Ca 0.34 0.15 -0.17 0.00 -2.93 0.00 0.00 61.98 59.36 1o5p s VAL 34 Cb -0.12 -0.45 0.06 0.00 -1.53 0.00 0.00 36.38 34.34 1o5p s VAL 34 CO 0.27 0.16 0.86 0.61 -3.33 0.00 0.00 175.10 173.67 1o5p n GLY 35 N 5.20 0.79 3.44 6.54 0.00 -0.91 -0.14 105.19 120.11 1o5p n GLY 35 Ca -0.06 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 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 2.96 0.07 1.61 -2.07 -1.26 -2.57 119.66 116.35 1o5p s GLN 36 Ca 0.19 -1.07 0.05 0.00 -1.82 0.00 0.00 55.36 52.71 1o5p s GLN 36 Cb -0.03 -3.98 -0.03 0.00 -1.09 0.00 0.00 33.01 27.88 1o5p s GLN 36 CO 0.06 -0.78 -0.14 0.00 -1.32 0.00 0.00 175.29 173.11 1o5p s ALA 38 N -1.22 1.71 -0.35 0.00 0.00 -0.76 -1.72 121.76 119.42 1o5p s ALA 38 Ca -0.01 -0.86 -0.17 0.00 0.00 0.00 0.00 51.96 50.92 1o5p s ALA 38 Cb -0.10 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 1o5p s ALA 38 CO 0.02 0.39 0.45 -1.58 0.00 0.00 0.00 175.76 175.04 1o5p s TRP 39 N -0.33 3.19 -0.85 0.00 0.51 -1.26 -1.79 118.94 118.41 1o5p s TRP 39 Ca 0.04 0.08 0.16 0.00 -2.12 0.00 0.00 56.10 54.27 1o5p s TRP 39 Cb -0.09 -2.82 0.58 0.00 -0.81 0.00 0.00 33.47 30.33 1o5p s TRP 39 CO 0.00 -0.50 1.50 1.33 -0.51 0.00 0.00 176.95 178.77 1o5p n VAL 40 N 5.35 1.76 -1.63 4.03 0.24 -0.90 -4.76 118.33 122.42 1o5p n VAL 40 Ca -0.07 -1.31 0.00 0.00 -2.04 0.00 0.00 64.34 60.92 1o5p n VAL 40 Cb 0.49 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1o5p n VAL 40 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1o5p n ASP 41 N 0.61 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 -0.37 0.00 0.71 0.00 0.00 54.79 55.34 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 -0.89 -0.39 0.00 0.00 177.20 175.92 1o5p s THR 42 N -2.50 3.48 0.00 -3.53 2.01 -1.26 -2.93 115.64 110.91 1o5p s THR 42 Ca 0.00 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1o5p s THR 42 Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.28 1o5p s THR 42 CO 0.00 -1.19 0.00 0.61 -0.69 0.00 0.00 174.62 173.35 1o5p n GLY 43 N 5.91 0.78 3.10 4.40 0.00 -1.26 -5.05 105.19 113.07 1o5p n GLY 43 Ca 0.21 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 1o5p n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o5p s VAL 44 N -2.00 2.60 -0.33 1.61 1.01 -1.15 -4.98 120.40 117.16 1o5p s VAL 44 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.19 1o5p s VAL 44 Cb 0.00 -2.65 0.08 0.00 0.00 0.00 0.00 36.38 33.81 1o5p s VAL 44 CO 0.00 -0.29 0.05 -0.22 0.00 0.00 0.00 175.10 174.64 1o5p s LEU 45 N 1.10 4.41 -0.43 3.92 2.96 -1.26 -2.12 118.68 127.27 1o5p s LEU 45 Ca -0.01 -1.73 -0.16 0.00 -0.22 0.00 0.00 54.13 52.01 1o5p s LEU 45 Cb -0.20 -1.69 0.03 0.00 0.50 0.00 0.00 46.19 44.82 1o5p s LEU 45 CO -0.04 -0.36 0.39 0.00 -1.32 0.00 0.00 176.35 175.02 1o5p s ALA 46 N 1.10 3.46 0.31 5.97 0.00 -0.74 -3.49 121.76 128.37 1o5p s ALA 46 Ca 0.02 -1.66 0.08 0.00 0.00 0.00 0.00 51.96 50.39 1o5p s ALA 46 Cb -0.20 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1o5p s ALA 46 CO -0.04 -1.58 0.21 0.00 0.00 0.00 0.00 175.76 174.35 1o5p s ASN 48 N -3.90 4.86 0.00 0.00 3.84 -0.88 -0.16 114.94 118.69 1o5p s ASN 48 Ca 0.37 -0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.42 1o5p s ASN 48 Cb -0.06 -1.50 0.00 0.00 -0.55 0.00 0.00 41.25 39.14 1o5p s ASN 48 CO 0.25 0.29 0.51 -0.81 -2.79 0.00 0.00 177.10 174.55 1o5p n PRO 49 N 2.75 0.74 -0.03 0.43 -0.04 -1.26 -3.16 135.00 134.43 1o5p n PRO 49 Ca -0.18 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.31 1o5p n PRO 49 Cb 0.53 -1.27 0.05 0.00 -0.04 0.00 0.00 33.50 32.76 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 2.36 -1.32 0.55 0.00 -1.26 -4.46 120.51 116.71 1o5p n ALA 50 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 53.44 52.72 1o5p n ALA 50 Cb 0.26 -0.24 0.01 0.00 0.00 0.00 0.00 19.45 19.48 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 0.29 0.36 -4.56 0.00 5.75 -1.19 -2.42 116.55 114.78 1o5p n ASP 51 Ca 0.05 -1.65 -0.40 0.00 -0.01 0.00 0.00 54.79 52.78 1o5p n ASP 51 Cb 0.23 -0.11 -0.03 0.00 -1.03 0.00 0.00 41.12 40.18 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 -0.32 2.49 0.00 2.11 0.40 -1.25 -3.21 117.98 118.21 1o5p s PHE 52 Ca 0.03 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 55.54 1o5p s PHE 52 Cb 0.02 -4.63 0.00 0.00 0.51 0.00 0.00 43.02 38.93 1o5p s PHE 52 CO 0.00 -1.87 0.00 0.43 0.70 0.00 0.00 175.22 174.48 1o5p n SER 53 N 9.45 0.50 0.00 1.36 7.64 0.80 -4.92 113.62 128.45 1o5p n SER 53 Ca 0.37 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.46 1o5p n SER 53 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 -1.98 0.00 -3.63 6.43 2.88 -1.26 -2.23 113.62 113.82 1o5p n SER 54 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 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 -0.58 0.06 0.02 2.46 0.11 -0.78 -4.96 120.40 116.73 1o5p s VAL 55 Ca 0.00 -0.45 -0.06 0.00 -2.93 0.00 0.00 61.98 58.54 1o5p s VAL 55 Cb 0.00 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 1o5p s VAL 55 CO 0.00 -0.25 0.27 -0.89 -3.33 0.00 0.00 175.10 170.90 1o5p s THR 56 N -3.02 5.30 -0.38 5.04 2.01 -1.26 0.30 115.64 123.63 1o5p s THR 56 Ca -0.02 0.11 -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 -0.06 0.33 1.95 0.00 -0.69 0.00 0.00 174.62 176.15 1o5p s ALA 57 N -1.34 2.58 0.00 7.40 0.00 -1.10 -4.69 121.76 124.62 1o5p s ALA 57 Ca 0.29 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1o5p s ALA 57 Cb -0.13 -4.11 0.00 0.00 0.00 0.00 0.00 23.12 18.88 1o5p s ALA 57 CO 0.17 -3.08 0.00 -0.40 0.00 0.00 0.00 175.76 172.45 1o5p n ASP 58 N 11.59 0.00 -0.10 0.00 5.75 -1.26 0.31 116.55 132.84 1o5p n ASP 58 Ca 0.25 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.97 1o5p n ASP 58 Cb 0.48 0.00 0.00 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 -2.02 0.22 0.00 2.12 0.00 -1.92 -3.14 119.26 114.52 1o5p h ALA 59 Ca 0.00 0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.71 1o5p h ALA 59 Cb 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1o5p h ALA 59 CO 0.00 -0.47 -2.26 0.09 0.00 0.00 0.00 179.25 176.62 1o5p n ASN 60 N -5.28 1.53 0.00 0.00 3.02 -1.26 -4.56 115.26 108.70 1o5p n ASN 60 Ca 0.01 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1o5p n ASN 60 Cb 0.20 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 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 2.19 0.73 3.66 7.41 0.00 -1.19 -1.92 105.19 116.07 1o5p n GLY 61 Ca -0.35 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.21 5.92 -0.20 1.61 0.01 -1.22 -2.18 113.70 116.44 1o5p s SER 62 Ca 0.00 0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.34 1o5p s SER 62 Cb 0.00 -2.04 0.06 0.00 0.21 0.00 0.00 66.02 64.25 1o5p s SER 62 CO 0.00 0.13 0.07 0.00 0.41 0.00 0.00 173.24 173.85 1o5p s ALA 63 N 0.65 0.76 -0.13 1.44 0.00 0.19 -4.62 121.76 120.05 1o5p s ALA 63 Ca 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1o5p s ALA 63 Cb -0.12 -1.16 0.02 0.00 0.00 0.00 0.00 23.12 21.86 1o5p s ALA 63 CO 0.01 -1.23 -0.12 -1.54 0.00 0.00 0.00 175.76 172.88 1o5p s SER 64 N 1.98 2.50 -0.03 0.00 1.04 -1.26 0.69 113.70 118.62 1o5p s SER 64 Ca 0.01 -0.42 -0.08 0.00 0.48 0.00 0.00 55.95 55.94 1o5p s SER 64 Cb -0.17 -1.07 0.01 0.00 0.10 0.00 0.00 66.02 64.90 1o5p s SER 64 CO -0.11 -0.07 0.17 0.28 0.98 0.00 0.00 173.24 174.49 1o5p s THR 65 N 1.50 0.05 -0.17 2.02 -1.32 -0.51 -4.98 115.64 112.22 1o5p s THR 65 Ca 0.04 -0.42 -0.11 0.00 -1.21 0.00 0.00 61.69 59.99 1o5p s THR 65 Cb -0.13 -0.39 -0.05 0.00 -1.51 0.00 0.00 72.50 70.42 1o5p s THR 65 CO -0.09 -0.23 0.19 -0.94 -2.21 0.00 0.00 174.62 171.34 1o5p s SER 66 N -0.83 6.31 0.26 8.08 1.04 -1.26 -1.96 113.70 125.35 1o5p s SER 66 Ca -0.09 0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.74 1o5p s SER 66 Cb -0.05 -2.12 -0.06 0.00 0.10 0.00 0.00 66.02 63.89 1o5p s SER 66 CO 0.01 0.18 -0.01 -1.48 0.98 0.00 0.00 173.24 172.93 1o5p s LEU 67 N 0.22 2.27 -0.22 2.42 0.05 -0.06 -4.90 118.68 118.47 1o5p s LEU 67 Ca 0.12 -1.24 -0.13 0.00 0.05 0.00 0.00 54.13 52.93 1o5p s LEU 67 Cb -0.12 -0.40 -0.05 0.00 -2.05 0.00 0.00 46.19 43.57 1o5p s LEU 67 CO 0.01 -0.48 0.26 0.42 -0.55 0.00 0.00 176.35 176.01 1o5p s THR 68 N -3.27 5.29 0.01 5.48 -4.23 -1.02 0.48 115.64 118.38 1o5p s THR 68 Ca 0.30 0.40 0.01 0.00 -1.18 0.00 0.00 61.69 61.22 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 0.11 0.31 -0.05 0.68 -0.54 0.00 0.00 174.62 175.13 1o5p s VAL 69 N 1.17 0.32 0.27 2.29 -7.23 -0.86 -4.02 120.40 112.34 1o5p s VAL 69 Ca 0.12 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 1o5p s VAL 69 Cb -0.14 -0.33 -0.00 0.00 0.56 0.00 0.00 36.38 36.47 1o5p s VAL 69 CO 0.06 -0.09 0.34 -2.11 -0.31 0.00 0.00 175.10 172.98 1o5p n ARG 70 N 2.47 0.49 0.00 4.82 1.85 -1.26 -4.25 116.66 120.78 1o5p n ARG 70 Ca -0.16 -2.28 0.00 0.00 -1.00 0.00 0.00 57.85 54.41 1o5p n ARG 70 Cb 0.57 2.10 0.00 0.00 -1.05 0.00 0.00 32.46 34.09 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 -0.46 0.00 -1.73 2.89 1.85 -1.26 -4.49 116.66 113.46 1o5p n ARG 71 Ca 0.02 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.45 1o5p n ARG 71 Cb 0.46 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.87 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 3.12 -3.63 2.89 7.64 -1.26 -1.93 113.62 120.45 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 -1.53 -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 -1.11 -0.80 -0.32 1.43 -0.71 -0.67 -4.82 117.98 110.98 1o5p s PHE 73 Ca 0.55 1.81 -0.34 0.00 -1.04 0.00 0.00 56.93 57.91 1o5p s PHE 73 Cb -0.53 0.39 -0.15 0.00 -1.21 0.00 0.00 43.02 41.52 1o5p s PHE 73 CO 0.63 -0.39 1.13 0.39 -1.34 0.00 0.00 175.22 175.64 1o5p n GLU 74 N 3.12 0.00 -1.77 1.99 1.02 -1.26 -1.70 120.64 122.03 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 0.56 -1.11 -0.01 0.00 -0.02 0.00 0.00 31.44 30.86 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 2.71 4.98 3.40 0.62 0.00 -0.55 -2.29 105.19 114.05 1o5p n GLY 75 Ca 0.22 -2.17 -0.62 0.00 0.00 0.00 0.00 46.02 43.45 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 0.36 1.44 -3.03 1.61 3.01 0.77 -2.34 117.46 119.27 1o5p n PHE 76 Ca 0.52 0.95 -0.40 0.00 1.01 0.00 0.00 57.45 59.52 1o5p n PHE 76 Cb 0.39 -2.17 -0.05 0.00 -0.01 0.00 0.00 39.48 37.64 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 4.14 4.23 -0.28 4.37 2.96 -0.66 -1.91 118.68 131.53 1o5p s LEU 77 Ca 1.07 1.08 -0.02 0.00 -0.22 0.00 0.00 54.13 56.04 1o5p s LEU 77 Cb -1.44 -3.06 -0.03 0.00 0.50 0.00 0.00 46.19 42.17 1o5p s LEU 77 CO 0.72 -0.23 1.37 0.33 -1.32 0.00 0.00 176.35 177.22 1o5p n PHE 78 N 4.50 0.42 -2.00 5.38 7.35 -1.23 -2.90 117.46 128.99 1o5p n PHE 78 Ca 0.00 -0.92 0.00 0.00 -0.76 0.00 0.00 57.45 55.77 1o5p n PHE 78 Cb 0.50 -0.94 0.00 0.00 0.35 0.00 0.00 39.48 39.39 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 0.15 -1.02 0.00 0.00 -1.51 0.00 0.00 54.79 52.41 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 2.79 3.96 0.27 0.00 -1.14 -4.99 105.19 106.08 1o5p n GLY 80 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.11 4.77 -0.11 2.61 -4.23 -1.26 -4.97 115.64 111.36 1o5p s THR 81 Ca 0.00 -0.65 -0.03 0.00 -1.18 0.00 0.00 61.69 59.84 1o5p s THR 81 Cb 0.00 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 1o5p s THR 81 CO 0.00 -0.42 0.01 0.00 -0.54 0.00 0.00 174.62 173.67 1o5p s ARG 82 N -4.28 3.19 0.38 3.99 1.70 -1.26 -1.65 118.95 121.01 1o5p s ARG 82 Ca 0.41 -0.41 0.23 0.00 -0.47 0.00 0.00 55.73 55.49 1o5p s ARG 82 Cb -0.10 -2.86 0.30 0.00 -0.57 0.00 0.00 34.95 31.72 1o5p s ARG 82 CO 0.34 0.60 1.50 2.35 -1.08 0.00 0.00 175.30 179.01 1o5p h TRP 83 N 5.53 0.00 0.00 5.89 7.01 -1.79 -3.45 115.95 129.14 1o5p h TRP 83 Ca -0.47 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.53 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 0.61 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.67 1o5p n GLY 84 N 1.13 1.28 3.58 2.65 0.00 -1.26 -4.90 105.19 107.66 1o5p n GLY 84 Ca 0.03 -2.21 -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 -1.36 3.30 -0.55 2.61 -4.23 -1.26 -1.49 115.64 112.65 1o5p s THR 85 Ca 0.00 0.26 -0.28 0.00 -1.18 0.00 0.00 61.69 60.49 1o5p s THR 85 Cb 0.00 -3.52 0.02 0.00 1.34 0.00 0.00 72.50 70.34 1o5p s THR 85 CO 0.00 -0.41 1.36 -0.69 -0.54 0.00 0.00 174.62 174.34 1o5p s VAL 86 N 8.57 3.86 -0.26 2.29 1.01 -0.69 -4.67 120.40 130.51 1o5p s VAL 86 Ca 0.83 0.75 -0.28 0.00 0.00 0.00 0.00 61.98 63.28 1o5p s VAL 86 Cb -0.21 -4.49 -0.03 0.00 0.00 0.00 0.00 36.38 31.65 1o5p s VAL 86 CO 0.29 -1.17 1.90 -1.81 0.00 0.00 0.00 175.10 174.31 1o5p s ASP 87 N 4.01 5.87 0.00 3.32 1.01 -1.26 -1.67 116.67 127.95 1o5p s ASP 87 Ca 0.51 1.61 0.05 0.00 0.71 0.00 0.00 52.55 55.42 1o5p s ASP 87 Cb -0.10 -2.52 0.23 0.00 1.01 0.00 0.00 42.92 41.54 1o5p s ASP 87 CO 0.26 -1.67 0.99 0.00 0.21 0.00 0.00 175.17 174.95 1o5p n THR 89 N -1.29 0.00 -0.05 0.00 -2.24 -1.26 -4.15 114.28 105.29 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 0.04 0.19 -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 -0.21 0.54 -3.54 4.28 -2.24 -0.00 -5.06 114.28 108.04 1o5p n THR 90 Ca 0.20 -0.12 -0.24 0.00 -2.27 0.00 0.00 64.05 61.63 1o5p n THR 90 Cb 0.28 -1.63 0.03 0.00 -2.10 0.00 0.00 70.33 66.91 1o5p n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o5p n ALA 91 N -3.43 1.03 -2.82 6.98 0.00 -1.17 -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 0.62 0.78 -0.12 0.00 0.00 0.00 0.00 19.45 20.73 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 3.31 -0.26 0.00 0.00 -1.26 -4.70 121.76 116.07 1o5p s ALA 92 Ca 0.45 -1.37 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 1o5p s ALA 92 Cb -0.04 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1o5p s ALA 92 CO 0.28 -0.88 0.32 0.00 0.00 0.00 0.00 175.76 175.48 1o5p s GLN 94 N 1.87 3.31 -0.40 0.00 -0.21 -0.70 -2.53 119.66 121.00 1o5p s GLN 94 Ca 0.13 -0.38 -0.14 0.00 0.02 0.00 0.00 55.36 54.99 1o5p s GLN 94 Cb -0.16 -3.02 0.02 0.00 1.00 0.00 0.00 33.01 30.86 1o5p s GLN 94 CO 0.10 0.67 0.28 0.08 -2.12 0.00 0.00 175.29 174.29 1o5p s VAL 95 N -1.28 5.07 0.05 1.09 1.01 0.15 -2.31 120.40 124.16 1o5p s VAL 95 Ca 0.26 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1o5p s VAL 95 Cb -0.12 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 1o5p s VAL 95 CO 0.17 -0.31 0.06 0.61 0.00 0.00 0.00 175.10 175.64 1o5p n GLY 96 N 5.12 3.21 3.70 4.51 0.00 -1.06 0.36 105.19 121.03 1o5p n GLY 96 Ca -0.11 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 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 2.14 -0.08 0.99 1.02 -1.24 -2.15 118.68 119.36 1o5p s LEU 97 Ca 0.04 -1.71 -0.32 0.00 0.02 0.00 0.00 54.13 52.16 1o5p s LEU 97 Cb -0.00 -0.50 0.14 0.00 0.02 0.00 0.00 46.19 45.85 1o5p s LEU 97 CO 0.03 -0.94 1.41 -0.44 0.02 0.00 0.00 176.35 176.43 1o5p s SER 98 N -3.82 -0.01 0.00 2.29 0.01 -0.25 -4.27 113.70 107.65 1o5p s SER 98 Ca 0.08 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1o5p s SER 98 Cb 0.01 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1o5p s SER 98 CO 0.05 -0.07 0.00 -0.90 0.41 0.00 0.00 173.24 172.73 1o5p n ASP 99 N -0.54 1.21 -1.54 2.44 5.75 -1.25 0.26 116.55 122.89 1o5p n ASP 99 Ca -0.08 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.56 1o5p n ASP 99 Cb 0.63 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.84 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 4.71 -0.05 2.12 0.00 -1.26 -4.60 120.51 118.43 1o5p n ALA 100 Ca 0.00 -3.49 -0.06 0.00 0.00 0.00 0.00 53.44 49.89 1o5p n ALA 100 Cb 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.93 1.76 0.00 0.00 0.00 -1.26 -5.01 120.51 115.07 1o5p n ALA 101 Ca 0.38 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1o5p n ALA 101 Cb 0.90 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.46 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 2.58 1.16 2.93 0.00 0.00 -1.26 -5.13 105.19 105.48 1o5p n GLY 102 Ca -0.17 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.68 -0.18 1.61 5.03 -1.26 -5.00 115.26 113.78 1o5p n ASN 103 Ca 0.00 -2.11 0.00 0.00 0.87 0.00 0.00 54.58 53.34 1o5p n ASN 103 Cb 0.00 2.78 0.00 0.00 -1.02 0.00 0.00 39.78 41.54 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 1.73 3.06 7.41 0.00 -1.26 -3.76 105.19 111.92 1o5p n GLY 104 Ca -0.06 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.89 -2.37 1.61 -0.02 -1.26 -4.90 135.00 127.18 1o5p n PRO 105 Ca 0.00 -0.26 -0.21 0.00 -2.02 0.00 0.00 63.50 61.02 1o5p n PRO 105 Cb 0.00 -1.29 0.11 0.00 -0.02 0.00 0.00 33.50 32.29 1o5p n PRO 105 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1o5p n GLU 106 N 0.31 -0.03 -4.29 -0.52 1.02 -1.26 -4.52 120.64 111.35 1o5p n GLU 106 Ca 0.00 -2.44 -0.24 0.00 -0.02 0.00 0.00 57.16 54.46 1o5p n GLU 106 Cb 0.56 -0.59 -0.08 0.00 -0.02 0.00 0.00 31.44 31.31 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 -4.82 2.02 -0.16 0.62 0.00 -1.26 -3.70 107.32 100.02 1o5p s GLY 107 Ca 0.59 -1.92 -0.06 0.00 0.00 0.00 0.00 44.72 43.33 1o5p s GLY 107 CO 0.39 -1.86 0.06 0.14 0.00 0.00 0.00 173.10 171.83 1o5p s VAL 108 N -2.49 4.78 -0.15 1.40 1.01 0.16 -4.74 120.40 120.37 1o5p s VAL 108 Ca 0.35 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 1o5p s VAL 108 Cb -0.01 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1o5p s VAL 108 CO 0.20 0.51 1.38 0.00 0.00 0.00 0.00 175.10 177.19 1o5p s ALA 109 N -0.05 3.61 0.49 5.51 0.00 -1.26 0.29 121.76 130.35 1o5p s ALA 109 Ca 0.06 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1o5p s ALA 109 Cb -0.12 -3.68 0.04 0.00 0.00 0.00 0.00 23.12 19.36 1o5p s ALA 109 CO 0.01 -1.32 0.68 0.96 0.00 0.00 0.00 175.76 176.09 1o5p s ILE 110 N 3.80 2.72 0.05 0.00 -4.36 -1.05 -4.85 121.20 117.51 1o5p s ILE 110 Ca 0.60 -0.91 0.00 0.00 -0.26 0.00 0.00 60.65 60.09 1o5p s ILE 110 Cb -0.24 -2.81 -0.03 0.00 1.25 0.00 0.00 42.46 40.62 1o5p s ILE 110 CO 0.20 0.00 -0.04 -0.55 0.24 0.00 0.00 174.94 174.78 1o5p s SER 111 N -4.45 0.62 -0.48 4.36 0.15 0.19 -4.72 113.70 109.37 1o5p s SER 111 Ca 0.57 -0.80 0.04 0.00 0.70 0.00 0.00 55.95 56.46 1o5p s SER 111 Cb -0.09 0.13 0.16 0.00 -1.71 0.00 0.00 66.02 64.51 1o5p s SER 111 CO 0.36 -0.43 0.35 -0.36 1.20 0.00 0.00 173.24 174.36 1o5p s PHE 112 N -2.83 1.79 -2.00 3.44 0.08 -1.26 -2.90 117.98 114.30 1o5p s PHE 112 Ca -0.01 -2.52 0.11 0.00 0.12 0.00 0.00 56.93 54.63 1o5p s PHE 112 Cb -0.00 -1.49 0.64 0.00 -0.57 0.00 0.00 43.02 41.60 1o5p s PHE 112 CO -0.05 -0.75 1.08 0.27 -0.10 0.00 0.00 175.22 175.67