#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 3.19 0.86 0.00 0.00 -1.26 -5.05 121.76 119.50 1o5p s ALA 2 Ca 0.00 -2.04 -0.12 0.00 0.00 0.00 0.00 51.96 49.80 1o5p s ALA 2 Cb 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 23.12 22.98 1o5p s ALA 2 CO 0.00 0.03 1.18 -2.14 0.00 0.00 0.00 175.76 174.83 1o5p s PRO 3 N -3.71 1.34 0.13 0.00 0.02 -0.09 -4.50 135.00 128.19 1o5p s PRO 3 Ca 0.35 1.68 -0.16 0.00 0.02 0.00 0.00 61.00 62.89 1o5p s PRO 3 Cb 0.02 -1.75 0.03 0.00 0.02 0.00 0.00 34.50 32.82 1o5p s PRO 3 CO 0.19 -2.42 0.41 0.95 -0.33 0.00 0.00 177.00 175.80 1o5p s THR 4 N -2.36 0.06 -0.14 0.99 -4.23 1.07 -4.87 115.64 106.16 1o5p s THR 4 Ca 0.70 -0.63 -0.06 0.00 -1.18 0.00 0.00 61.69 60.53 1o5p s THR 4 Cb -0.26 -1.24 0.07 0.00 1.34 0.00 0.00 72.50 72.41 1o5p s THR 4 CO 0.54 -0.29 0.30 0.00 -0.54 0.00 0.00 174.62 174.63 1o5p s ALA 5 N -3.82 -0.71 -0.30 3.99 0.00 -1.26 0.27 121.76 119.93 1o5p s ALA 5 Ca 0.04 1.11 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 1o5p s ALA 5 Cb 0.02 -1.01 0.06 0.00 0.00 0.00 0.00 23.12 22.19 1o5p s ALA 5 CO -0.11 -0.56 -0.01 -0.08 0.00 0.00 0.00 175.76 175.01 1o5p s THR 6 N 2.18 2.82 -0.07 0.00 -1.32 -0.33 -4.86 115.64 114.06 1o5p s THR 6 Ca -0.02 -1.50 0.03 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 -0.10 -0.14 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.34 1o5p s VAL 7 N 1.21 3.00 -0.19 5.08 1.01 -1.26 -0.34 120.40 128.91 1o5p s VAL 7 Ca -0.05 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1o5p s VAL 7 Cb -0.20 -2.19 0.14 0.00 0.00 0.00 0.00 36.38 34.13 1o5p s VAL 7 CO -0.02 0.57 1.06 -0.89 0.00 0.00 0.00 175.10 175.82 1o5p s THR 8 N -0.37 0.00 0.48 3.92 2.01 -0.30 -4.43 115.64 116.95 1o5p s THR 8 Ca 0.04 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.84 1o5p s THR 8 Cb -0.12 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.30 1o5p s THR 8 CO 0.02 0.00 1.01 -2.16 -0.69 0.00 0.00 174.62 172.80 1o5p s PRO 9 N -1.05 3.92 0.08 4.92 0.05 -1.26 -0.20 135.00 141.46 1o5p s PRO 9 Ca 0.00 1.23 0.19 0.00 0.05 0.00 0.00 61.00 62.47 1o5p s PRO 9 Cb -0.01 -2.12 -0.12 0.00 0.05 0.00 0.00 34.50 32.31 1o5p s PRO 9 CO -0.00 -0.32 0.83 -1.13 0.05 0.00 0.00 177.00 176.43 1o5p n SER 10 N -1.00 0.75 -4.28 6.66 3.41 -1.26 -4.77 113.62 113.14 1o5p n SER 10 Ca 0.08 0.32 -0.15 0.00 -0.26 0.00 0.00 58.87 58.86 1o5p n SER 10 Cb 0.53 0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 64.80 1o5p n SER 10 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1o5p s SER 11 N -5.55 1.78 -0.23 4.04 0.01 -1.26 0.48 113.70 112.98 1o5p s SER 11 Ca -0.03 -1.09 -0.01 0.00 1.31 0.00 0.00 55.95 56.13 1o5p s SER 11 Cb 0.09 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1o5p s SER 11 CO 0.81 -0.40 0.16 0.61 0.41 0.00 0.00 173.24 174.83 1o5p n GLY 12 N -0.27 0.64 0.13 3.44 0.00 -1.15 -4.90 105.19 103.07 1o5p n GLY 12 Ca -0.08 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.11 2.37 -1.03 0.99 4.77 -1.26 -5.06 117.00 116.66 1o5p n LEU 13 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 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 0.10 0.65 -0.30 -0.24 -1.33 0.00 0.00 177.39 176.27 1o5p n SER 14 N -3.83 -5.75 -4.45 -1.43 2.88 -1.26 -3.88 113.62 95.89 1o5p n SER 14 Ca -0.35 0.98 -0.49 0.00 -1.33 0.00 0.00 58.87 57.67 1o5p n SER 14 Cb 0.91 -2.84 -0.07 0.00 -0.75 0.00 0.00 64.21 61.45 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 -1.46 1.96 0.00 -3.46 5.75 -1.26 -1.98 116.55 116.09 1o5p n ASP 15 Ca 0.00 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.11 1o5p n ASP 15 Cb 0.13 -1.25 0.00 0.00 -1.03 0.00 0.00 41.12 38.97 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 6.54 1.45 1.47 6.12 0.00 -1.26 -5.06 105.19 114.46 1o5p n GLY 16 Ca 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.73 0.00 -4.49 2.61 5.66 -0.84 -4.97 114.28 111.52 1o5p n THR 17 Ca 0.00 -0.79 -0.21 0.00 -3.05 0.00 0.00 64.05 60.00 1o5p n THR 17 Cb 0.00 -0.55 -0.15 0.00 -1.55 0.00 0.00 70.33 68.08 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 -0.73 0.98 0.21 1.08 1.01 -1.26 -2.06 120.40 119.63 1o5p s VAL 18 Ca 0.17 -0.63 0.11 0.00 0.00 0.00 0.00 61.98 61.63 1o5p s VAL 18 Cb -0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1o5p s VAL 18 CO 0.11 0.20 -0.19 0.68 0.00 0.00 0.00 175.10 175.90 1o5p s VAL 19 N -0.42 2.59 -0.40 2.92 -7.23 0.11 -4.75 120.40 113.22 1o5p s VAL 19 Ca 0.04 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.07 1o5p s VAL 19 Cb -0.05 -2.28 0.03 0.00 0.56 0.00 0.00 36.38 34.64 1o5p s VAL 19 CO -0.00 -0.16 0.27 -0.75 -0.31 0.00 0.00 175.10 174.15 1o5p s LYS 20 N -2.86 2.89 -0.11 4.82 2.20 0.72 -1.55 119.74 125.86 1o5p s LYS 20 Ca 0.23 -1.11 -0.08 0.00 -0.36 0.00 0.00 55.97 54.65 1o5p s LYS 20 Cb -0.08 -3.89 -0.04 0.00 -1.51 0.00 0.00 37.83 32.31 1o5p s LYS 20 CO 0.12 -0.78 0.18 0.54 -0.36 0.00 0.00 175.35 175.05 1o5p s VAL 21 N 1.61 5.44 0.13 4.02 0.11 -0.84 -1.15 120.40 129.72 1o5p s VAL 21 Ca 0.04 0.30 0.02 0.00 -2.93 0.00 0.00 61.98 59.41 1o5p s VAL 21 Cb -0.20 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 1o5p s VAL 21 CO 0.08 0.61 -0.05 0.00 -3.33 0.00 0.00 175.10 172.41 1o5p s ALA 22 N -0.98 1.18 -0.01 1.54 0.00 0.54 -1.67 121.76 122.36 1o5p s ALA 22 Ca 0.16 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.68 1o5p s ALA 22 Cb -0.13 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1o5p s ALA 22 CO 0.05 -0.24 -0.03 0.20 0.00 0.00 0.00 175.76 175.74 1o5p s GLY 23 N -3.11 0.21 -0.04 0.00 0.00 0.25 -1.18 107.32 103.45 1o5p s GLY 23 Ca 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.76 1o5p s GLY 23 CO -0.01 -0.00 0.07 0.00 0.00 0.00 0.00 173.10 173.16 1o5p s ALA 24 N 0.12 0.02 0.00 3.20 0.00 0.75 0.25 121.76 126.11 1o5p s ALA 24 Ca -0.01 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1o5p s ALA 24 Cb -0.04 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1o5p s ALA 24 CO -0.00 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1o5p n GLY 25 N 4.54 0.92 3.96 0.00 0.00 -0.98 0.35 105.19 113.98 1o5p n GLY 25 Ca -0.20 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 1o5p n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1o5p s LEU 26 N 0.00 2.95 -0.86 0.99 1.43 -0.72 -0.91 118.68 121.55 1o5p s LEU 26 Ca 0.00 0.11 -0.28 0.00 -1.03 0.00 0.00 54.13 52.92 1o5p s LEU 26 Cb 0.00 -2.65 -0.19 0.00 0.03 0.00 0.00 46.19 43.38 1o5p s LEU 26 CO 0.00 -1.71 2.59 0.00 0.23 0.00 0.00 176.35 177.47 1o5p n GLN 27 N -2.87 0.28 -1.24 1.70 3.00 -1.26 -4.07 117.38 112.91 1o5p n GLN 27 Ca 0.11 -0.02 -0.18 0.00 -0.01 0.00 0.00 57.00 56.89 1o5p n GLN 27 Cb 0.60 -2.02 -0.10 0.00 0.00 0.00 0.00 30.24 28.72 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 11.82 0.36 0.00 -1.58 0.00 -1.24 -1.23 120.51 128.63 1o5p n ALA 28 Ca 0.58 -2.09 0.00 0.00 0.00 0.00 0.00 53.44 51.93 1o5p n ALA 28 Cb 0.18 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 16.72 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 5.55 0.43 2.66 0.00 0.00 0.97 -4.82 105.19 109.97 1o5p n GLY 29 Ca 0.35 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.54 -0.19 -0.37 2.61 -4.23 -0.37 -4.88 115.64 107.67 1o5p s THR 30 Ca 0.00 -0.22 -0.36 0.00 -1.18 0.00 0.00 61.69 59.94 1o5p s THR 30 Cb 0.00 -0.67 -0.12 0.00 1.34 0.00 0.00 72.50 73.05 1o5p s THR 30 CO 0.00 -0.30 2.20 0.00 -0.54 0.00 0.00 174.62 175.97 1o5p n ALA 31 N 5.29 1.01 -2.87 3.99 0.00 -1.26 -2.73 120.51 123.95 1o5p n ALA 31 Ca -0.06 -0.06 -0.26 0.00 0.00 0.00 0.00 53.44 53.07 1o5p n ALA 31 Cb 0.48 -2.52 -0.04 0.00 0.00 0.00 0.00 19.45 17.37 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 7.32 3.30 0.29 0.00 1.51 0.14 -4.47 117.35 125.45 1o5p s TYR 32 Ca 1.10 0.03 0.05 0.00 -1.01 0.00 0.00 57.07 57.24 1o5p s TYR 32 Cb -0.90 -1.57 -0.02 0.00 -0.11 0.00 0.00 41.96 39.36 1o5p s TYR 32 CO 0.50 0.51 0.43 0.34 -1.11 0.00 0.00 175.55 176.22 1o5p s ASP 33 N -3.25 6.19 -0.07 2.29 -1.08 0.76 -1.64 116.67 119.85 1o5p s ASP 33 Ca 0.33 0.05 -0.03 0.00 -0.52 0.00 0.00 52.55 52.38 1o5p s ASP 33 Cb -0.10 -1.67 0.04 0.00 -1.46 0.00 0.00 42.92 39.73 1o5p s ASP 33 CO 0.26 -0.24 0.14 0.54 0.52 0.00 0.00 175.17 176.38 1o5p s VAL 34 N -2.11 -0.20 0.06 1.11 0.11 -0.83 -1.30 120.40 117.23 1o5p s VAL 34 Ca 0.39 0.34 -0.17 0.00 -2.93 0.00 0.00 61.98 59.61 1o5p s VAL 34 Cb -0.09 -0.25 0.06 0.00 -1.53 0.00 0.00 36.38 34.56 1o5p s VAL 34 CO 0.31 0.14 0.80 0.61 -3.33 0.00 0.00 175.10 173.64 1o5p n GLY 35 N 5.14 0.58 3.44 6.54 0.00 -0.92 -0.48 105.19 119.49 1o5p n GLY 35 Ca -0.08 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.02 2.97 0.07 1.61 -2.07 -1.26 -2.53 119.66 116.42 1o5p s GLN 36 Ca 0.18 -1.10 0.06 0.00 -1.82 0.00 0.00 55.36 52.69 1o5p s GLN 36 Cb -0.01 -4.00 -0.03 0.00 -1.09 0.00 0.00 33.01 27.87 1o5p s GLN 36 CO 0.02 -0.81 -0.16 0.00 -1.32 0.00 0.00 175.29 173.01 1o5p s ALA 38 N -1.10 1.63 -0.35 0.00 0.00 -0.79 -1.72 121.76 119.44 1o5p s ALA 38 Ca 0.02 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 50.97 1o5p s ALA 38 Cb -0.09 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1o5p s ALA 38 CO 0.02 0.39 0.45 -1.58 0.00 0.00 0.00 175.76 175.05 1o5p s TRP 39 N -0.41 3.19 -0.81 0.00 0.51 -1.26 -1.83 118.94 118.33 1o5p s TRP 39 Ca 0.06 0.08 0.16 0.00 -2.12 0.00 0.00 56.10 54.29 1o5p s TRP 39 Cb -0.08 -2.82 0.59 0.00 -0.81 0.00 0.00 33.47 30.35 1o5p s TRP 39 CO -0.00 -0.50 1.51 1.33 -0.51 0.00 0.00 176.95 178.77 1o5p n VAL 40 N 5.35 1.82 -1.18 4.03 0.24 -0.90 -4.76 118.33 122.93 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 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 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 0.58 0.00 -4.55 -1.34 9.92 -1.26 -4.95 116.55 114.94 1o5p n ASP 41 Ca 0.22 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 54.12 1o5p n ASP 41 Cb 0.81 0.00 -0.04 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 -2.36 3.40 0.00 -3.53 -1.32 -1.26 -2.80 115.64 107.77 1o5p s THR 42 Ca 0.00 0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 1o5p s THR 42 Cb 0.00 -4.02 0.00 0.00 -1.51 0.00 0.00 72.50 66.97 1o5p s THR 42 CO 0.00 -0.98 0.00 0.61 -2.21 0.00 0.00 174.62 172.04 1o5p n GLY 43 N 5.99 0.67 3.12 6.08 0.00 -1.26 -5.04 105.19 114.75 1o5p n GLY 43 Ca 0.25 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 2.81 -0.34 1.61 1.01 -1.12 -4.98 120.40 117.39 1o5p s VAL 44 Ca 0.00 -1.71 -0.00 0.00 0.00 0.00 0.00 61.98 60.27 1o5p s VAL 44 Cb 0.00 -2.75 0.08 0.00 0.00 0.00 0.00 36.38 33.71 1o5p s VAL 44 CO 0.00 -0.29 0.06 -0.22 0.00 0.00 0.00 175.10 174.65 1o5p s LEU 45 N 1.15 4.45 -0.42 3.92 2.96 -1.26 -2.12 118.68 127.36 1o5p s LEU 45 Ca -0.01 -1.71 -0.16 0.00 -0.22 0.00 0.00 54.13 52.03 1o5p s LEU 45 Cb -0.20 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.80 1o5p s LEU 45 CO -0.03 -0.36 0.38 0.00 -1.32 0.00 0.00 176.35 175.01 1o5p s ALA 46 N 1.12 3.46 0.29 5.97 0.00 -0.76 -3.47 121.76 128.37 1o5p s ALA 46 Ca 0.02 -1.64 0.08 0.00 0.00 0.00 0.00 51.96 50.42 1o5p s ALA 46 Cb -0.21 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 1o5p s ALA 46 CO -0.04 -1.55 0.15 0.00 0.00 0.00 0.00 175.76 174.32 1o5p s ASN 48 N -3.82 4.90 0.00 0.00 3.84 -0.84 -0.47 114.94 118.55 1o5p s ASN 48 Ca 0.35 -0.09 0.00 0.00 0.21 0.00 0.00 52.86 53.33 1o5p s ASN 48 Cb -0.06 -1.75 0.00 0.00 -0.55 0.00 0.00 41.25 38.89 1o5p s ASN 48 CO 0.23 0.19 0.37 -0.81 -2.79 0.00 0.00 177.10 174.30 1o5p n PRO 49 N 3.38 0.61 0.00 0.43 -0.05 -1.26 -3.17 135.00 134.94 1o5p n PRO 49 Ca -0.17 0.00 0.11 0.00 -0.05 0.00 0.00 63.50 63.39 1o5p n PRO 49 Cb 0.53 -1.28 0.05 0.00 -0.05 0.00 0.00 33.50 32.75 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 0.30 3.89 -0.63 0.55 0.00 -1.26 -4.16 120.51 119.19 1o5p n ALA 50 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1o5p n ALA 50 Cb 0.19 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.81 0.56 -4.43 0.00 9.92 -1.19 -3.08 116.55 117.52 1o5p n ASP 51 Ca 0.07 -1.19 -0.18 0.00 -0.53 0.00 0.00 54.79 52.96 1o5p n ASP 51 Cb 0.39 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.75 1o5p n ASP 51 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1o5p n PHE 52 N -0.10 0.77 -2.84 1.24 3.01 -1.25 -3.80 117.46 114.49 1o5p n PHE 52 Ca 0.00 -0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.25 1o5p n PHE 52 Cb 0.29 -2.34 0.00 0.00 -0.01 0.00 0.00 39.48 37.41 1o5p n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1o5p n SER 53 N 18.47 0.11 0.00 4.37 7.64 0.37 -4.90 113.62 139.68 1o5p n SER 53 Ca 0.41 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.50 1o5p n SER 53 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 -2.29 0.00 -3.78 6.43 2.88 -1.26 -1.97 113.62 113.63 1o5p n SER 54 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1o5p n SER 54 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 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 -0.48 0.10 -0.07 2.46 0.11 -0.65 -4.95 120.40 116.92 1o5p s VAL 55 Ca 0.00 -0.84 -0.08 0.00 -2.93 0.00 0.00 61.98 58.13 1o5p s VAL 55 Cb 0.00 -1.08 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 1o5p s VAL 55 CO 0.00 -0.47 0.21 -0.89 -3.33 0.00 0.00 175.10 170.63 1o5p s THR 56 N -3.09 5.38 -0.34 5.04 2.01 -1.26 0.28 115.64 123.66 1o5p s THR 56 Ca -0.01 0.29 -0.28 0.00 0.31 0.00 0.00 61.69 62.00 1o5p s THR 56 Cb 0.01 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1o5p s THR 56 CO -0.07 0.55 2.04 0.00 -0.69 0.00 0.00 174.62 176.45 1o5p s ALA 57 N -1.11 2.57 0.00 7.40 0.00 -1.10 -4.68 121.76 124.84 1o5p s ALA 57 Ca 0.20 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.48 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 0.09 -3.08 0.00 -0.40 0.00 0.00 0.00 175.76 172.37 1o5p n ASP 58 N 11.85 0.00 -0.09 0.00 5.75 -1.26 0.32 116.55 133.11 1o5p n ASP 58 Ca 0.27 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.99 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 0.16 0.00 2.12 0.00 -1.92 -3.13 119.26 114.50 1o5p h ALA 59 Ca 0.00 0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.70 1o5p h ALA 59 Cb 0.00 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1o5p h ALA 59 CO 0.00 -0.50 -2.30 -1.71 0.00 0.00 0.00 179.25 174.74 1o5p n ASN 60 N -5.31 1.36 0.00 0.00 2.85 -1.26 -4.54 115.26 108.35 1o5p n ASN 60 Ca 0.01 -0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1o5p n ASN 60 Cb 0.22 0.27 0.00 0.00 1.24 0.00 0.00 39.78 41.52 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 2.13 0.74 3.75 8.20 0.00 -1.18 -1.75 105.19 117.08 1o5p n GLY 61 Ca -0.36 -0.74 -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 -1.26 6.26 -0.20 1.61 0.01 -1.25 -2.32 113.70 116.55 1o5p s SER 62 Ca 0.00 0.30 -0.03 0.00 1.31 0.00 0.00 55.95 57.53 1o5p s SER 62 Cb 0.00 -2.10 0.06 0.00 0.21 0.00 0.00 66.02 64.20 1o5p s SER 62 CO 0.00 0.21 0.05 0.00 0.41 0.00 0.00 173.24 173.91 1o5p s ALA 63 N 0.16 0.96 -0.17 1.44 0.00 0.14 -4.62 121.76 119.67 1o5p s ALA 63 Ca 0.10 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1o5p s ALA 63 Cb -0.11 -1.21 0.03 0.00 0.00 0.00 0.00 23.12 21.83 1o5p s ALA 63 CO -0.00 -1.23 -0.13 -1.12 0.00 0.00 0.00 175.76 173.27 1o5p s SER 64 N 1.88 3.00 -0.04 0.00 0.01 -1.26 0.86 113.70 118.16 1o5p s SER 64 Ca 0.01 -0.66 -0.09 0.00 1.31 0.00 0.00 55.95 56.51 1o5p s SER 64 Cb -0.17 -1.23 0.02 0.00 0.21 0.00 0.00 66.02 64.85 1o5p s SER 64 CO -0.11 -0.09 0.22 0.28 0.41 0.00 0.00 173.24 173.96 1o5p s THR 65 N 1.43 0.04 -0.13 1.44 -1.32 -0.67 -5.01 115.64 111.43 1o5p s THR 65 Ca 0.03 -0.33 -0.10 0.00 -1.21 0.00 0.00 61.69 60.08 1o5p s THR 65 Cb -0.14 -0.43 -0.05 0.00 -1.51 0.00 0.00 72.50 70.38 1o5p s THR 65 CO -0.10 -0.18 0.20 -0.94 -2.21 0.00 0.00 174.62 171.39 1o5p s SER 66 N -0.67 6.42 0.14 8.08 1.04 -1.26 -1.99 113.70 125.45 1o5p s SER 66 Ca -0.08 0.49 -0.02 0.00 0.48 0.00 0.00 55.95 56.83 1o5p s SER 66 Cb -0.04 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 1o5p s SER 66 CO 0.02 0.31 0.09 -1.48 0.98 0.00 0.00 173.24 173.15 1o5p s LEU 67 N -0.55 1.63 -0.20 2.42 0.05 -0.59 -4.94 118.68 116.50 1o5p s LEU 67 Ca 0.15 -1.20 -0.10 0.00 0.05 0.00 0.00 54.13 53.02 1o5p s LEU 67 Cb -0.13 0.39 -0.05 0.00 -2.05 0.00 0.00 46.19 44.35 1o5p s LEU 67 CO 0.04 -0.76 0.15 0.28 -0.55 0.00 0.00 176.35 175.51 1o5p s THR 68 N -4.05 5.39 0.01 5.48 -1.32 -1.18 0.09 115.64 120.07 1o5p s THR 68 Ca 0.25 0.23 0.02 0.00 -1.21 0.00 0.00 61.69 60.98 1o5p s THR 68 Cb 0.07 -3.49 -0.01 0.00 -1.51 0.00 0.00 72.50 67.56 1o5p s THR 68 CO 0.03 0.43 -0.05 0.68 -2.21 0.00 0.00 174.62 173.49 1o5p s VAL 69 N 0.43 0.40 0.20 5.08 -7.23 -0.87 -4.18 120.40 114.22 1o5p s VAL 69 Ca 0.09 -0.52 -0.01 0.00 -1.81 0.00 0.00 61.98 59.73 1o5p s VAL 69 Cb -0.11 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.43 1o5p s VAL 69 CO -0.01 -0.09 0.28 -2.11 -0.31 0.00 0.00 175.10 172.85 1o5p n ARG 70 N 2.40 0.40 0.00 4.82 1.85 -1.26 -4.22 116.66 120.64 1o5p n ARG 70 Ca -0.17 -1.60 0.00 0.00 -1.00 0.00 0.00 57.85 55.09 1o5p n ARG 70 Cb 0.57 1.53 0.00 0.00 -1.05 0.00 0.00 32.46 33.51 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 -0.33 0.00 -1.71 2.89 1.85 -1.26 -4.52 116.66 113.58 1o5p n ARG 71 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 1o5p n ARG 71 Cb 0.33 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.74 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 2.94 -3.64 2.89 7.64 -1.26 -1.85 113.62 120.36 1o5p n SER 72 Ca 0.00 1.21 -0.13 0.00 1.01 0.00 0.00 58.87 60.96 1o5p n SER 72 Cb 0.00 -1.51 -0.07 0.00 -1.01 0.00 0.00 64.21 61.62 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 -1.08 -0.82 -0.35 1.43 -0.71 -0.64 -4.82 117.98 110.99 1o5p s PHE 73 Ca 0.55 1.94 -0.35 0.00 -1.04 0.00 0.00 56.93 58.02 1o5p s PHE 73 Cb -0.55 0.33 -0.15 0.00 -1.21 0.00 0.00 43.02 41.43 1o5p s PHE 73 CO 0.62 -0.40 1.18 0.39 -1.34 0.00 0.00 175.22 175.68 1o5p n GLU 74 N 2.97 0.00 -1.48 1.99 -0.58 -1.26 -1.45 120.64 120.83 1o5p n GLU 74 Ca -0.15 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.31 1o5p n GLU 74 Cb 0.56 -1.14 -0.02 0.00 -0.57 0.00 0.00 31.44 30.26 1o5p n GLU 74 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1o5p n GLY 75 N 2.89 4.60 3.35 0.62 0.00 -0.43 -2.20 105.19 114.01 1o5p n GLY 75 Ca 0.23 -1.91 -0.61 0.00 0.00 0.00 0.00 46.02 43.72 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 0.48 1.39 -3.05 1.61 3.01 0.37 -2.21 117.46 119.07 1o5p n PHE 76 Ca 0.48 0.92 -0.40 0.00 1.01 0.00 0.00 57.45 59.46 1o5p n PHE 76 Cb 0.51 -2.16 -0.05 0.00 -0.01 0.00 0.00 39.48 37.76 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 4.31 4.23 -0.30 4.37 2.96 -0.69 -1.88 118.68 131.67 1o5p s LEU 77 Ca 1.08 1.04 -0.02 0.00 -0.22 0.00 0.00 54.13 56.01 1o5p s LEU 77 Cb -1.43 -3.03 -0.03 0.00 0.50 0.00 0.00 46.19 42.20 1o5p s LEU 77 CO 0.71 -0.22 1.39 0.33 -1.32 0.00 0.00 176.35 177.24 1o5p n PHE 78 N 4.50 0.44 -1.98 5.38 7.35 -1.23 -2.91 117.46 129.02 1o5p n PHE 78 Ca -0.00 -0.95 0.00 0.00 -0.76 0.00 0.00 57.45 55.74 1o5p n PHE 78 Cb 0.50 -0.96 0.00 0.00 0.35 0.00 0.00 39.48 39.37 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 4.38 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.48 1o5p n ASP 79 Ca 0.16 -0.98 0.00 0.00 -1.51 0.00 0.00 54.79 52.46 1o5p n ASP 79 Cb 0.08 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.54 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 2.77 3.93 0.27 0.00 -1.15 -4.99 105.19 106.03 1o5p n GLY 80 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.06 5.13 -0.10 2.61 -4.23 -1.26 -4.97 115.64 111.77 1o5p s THR 81 Ca 0.00 -0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 60.11 1o5p s THR 81 Cb 0.00 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 1o5p s THR 81 CO 0.00 -0.37 0.06 0.00 -0.54 0.00 0.00 174.62 173.78 1o5p s ARG 82 N -3.80 3.18 0.29 3.99 1.70 -1.26 -1.70 118.95 121.35 1o5p s ARG 82 Ca 0.40 -0.29 0.23 0.00 -0.47 0.00 0.00 55.73 55.60 1o5p s ARG 82 Cb -0.10 -2.96 0.16 0.00 -0.57 0.00 0.00 34.95 31.47 1o5p s ARG 82 CO 0.32 0.73 1.29 2.35 -1.08 0.00 0.00 175.30 178.91 1o5p h TRP 83 N 5.09 0.00 0.00 5.89 7.01 -1.77 -3.45 115.95 128.72 1o5p h TRP 83 Ca -0.53 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.47 1o5p h TRP 83 Cb 1.21 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.27 1o5p h TRP 83 CO 0.69 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.75 1o5p n GLY 84 N 1.16 1.54 3.57 2.65 0.00 -1.26 -4.90 105.19 107.94 1o5p n GLY 84 Ca 0.02 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 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 -1.54 3.28 -0.50 2.61 -4.23 -1.26 -1.31 115.64 112.69 1o5p s THR 85 Ca 0.00 0.22 -0.28 0.00 -1.18 0.00 0.00 61.69 60.45 1o5p s THR 85 Cb 0.00 -3.54 0.01 0.00 1.34 0.00 0.00 72.50 70.31 1o5p s THR 85 CO 0.00 -0.45 1.49 -0.69 -0.54 0.00 0.00 174.62 174.43 1o5p s VAL 86 N 9.03 3.75 -0.26 2.29 1.01 -0.53 -4.63 120.40 131.06 1o5p s VAL 86 Ca 0.82 0.69 -0.28 0.00 0.00 0.00 0.00 61.98 63.20 1o5p s VAL 86 Cb -0.19 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 1o5p s VAL 86 CO 0.27 -0.94 1.96 -1.81 0.00 0.00 0.00 175.10 174.58 1o5p s ASP 87 N 4.77 5.77 0.00 3.32 1.11 -1.26 -1.62 116.67 128.77 1o5p s ASP 87 Ca 0.59 1.61 0.07 0.00 0.18 0.00 0.00 52.55 54.99 1o5p s ASP 87 Cb -0.13 -2.52 0.34 0.00 1.07 0.00 0.00 42.92 41.68 1o5p s ASP 87 CO 0.28 -1.75 1.04 0.00 1.18 0.00 0.00 175.17 175.91 1o5p n THR 89 N -1.25 0.02 -0.04 0.00 -2.24 -1.26 -4.14 114.28 105.37 1o5p n THR 89 Ca 0.03 -0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 1o5p n THR 89 Cb 0.05 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.15 0.45 -3.37 4.28 -2.24 -0.20 -5.06 114.28 107.99 1o5p n THR 90 Ca 0.20 -0.11 -0.19 0.00 -2.27 0.00 0.00 64.05 61.68 1o5p n THR 90 Cb 0.28 -1.61 0.03 0.00 -2.10 0.00 0.00 70.33 66.93 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 -3.37 0.89 -3.00 6.98 0.00 -1.19 -5.09 120.51 115.74 1o5p n ALA 91 Ca -0.16 -1.79 -0.38 0.00 0.00 0.00 0.00 53.44 51.11 1o5p n ALA 91 Cb 0.61 0.60 -0.12 0.00 0.00 0.00 0.00 19.45 20.54 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 -2.62 3.18 -0.24 0.00 0.00 -1.26 -4.73 121.76 116.09 1o5p s ALA 92 Ca 0.40 -1.44 -0.13 0.00 0.00 0.00 0.00 51.96 50.79 1o5p s ALA 92 Cb -0.03 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 1o5p s ALA 92 CO 0.26 -0.94 0.30 0.00 0.00 0.00 0.00 175.76 175.37 1o5p s GLN 94 N 1.52 3.06 -0.40 0.00 -0.21 -0.70 -2.55 119.66 120.38 1o5p s GLN 94 Ca 0.13 -0.53 -0.14 0.00 0.02 0.00 0.00 55.36 54.85 1o5p s GLN 94 Cb -0.15 -2.85 0.02 0.00 1.00 0.00 0.00 33.01 31.04 1o5p s GLN 94 CO 0.08 0.63 0.27 0.08 -2.12 0.00 0.00 175.29 174.22 1o5p s VAL 95 N -1.26 5.03 0.05 1.09 1.01 0.14 -2.20 120.40 124.25 1o5p s VAL 95 Ca 0.25 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 1o5p s VAL 95 Cb -0.12 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1o5p s VAL 95 CO 0.17 -0.28 0.06 0.61 0.00 0.00 0.00 175.10 175.66 1o5p n GLY 96 N 5.10 3.07 3.71 4.51 0.00 -1.05 0.27 105.19 120.81 1o5p n GLY 96 Ca -0.11 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 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 2.29 0.01 0.99 1.02 -1.25 -2.17 118.68 119.57 1o5p s LEU 97 Ca 0.04 -1.64 -0.28 0.00 0.02 0.00 0.00 54.13 52.27 1o5p s LEU 97 Cb -0.00 -0.64 0.10 0.00 0.02 0.00 0.00 46.19 45.67 1o5p s LEU 97 CO 0.03 -0.83 1.25 -0.44 0.02 0.00 0.00 176.35 176.38 1o5p s SER 98 N -3.82 -0.02 0.00 2.29 0.01 -0.42 -4.19 113.70 107.55 1o5p s SER 98 Ca 0.11 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.13 1o5p s SER 98 Cb 0.02 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1o5p s SER 98 CO 0.06 -0.38 0.00 -0.90 0.41 0.00 0.00 173.24 172.42 1o5p n ASP 99 N -0.89 1.11 -1.56 2.44 5.75 -1.25 0.27 116.55 122.41 1o5p n ASP 99 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.63 1o5p n ASP 99 Cb 0.60 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.79 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 4.69 -0.04 2.12 0.00 -1.26 -4.62 120.51 118.39 1o5p n ALA 100 Ca 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 53.44 49.85 1o5p n ALA 100 Cb 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 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 1.79 0.00 0.00 0.00 -1.26 -5.01 120.51 115.13 1o5p n ALA 101 Ca 0.38 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1o5p n ALA 101 Cb 0.89 0.13 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 2.64 1.12 2.75 0.00 0.00 -1.26 -5.14 105.19 105.29 1o5p n GLY 102 Ca -0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.37 -0.19 1.61 5.03 -1.26 -5.01 115.26 114.08 1o5p n ASN 103 Ca 0.00 -1.80 0.00 0.00 0.87 0.00 0.00 54.58 53.65 1o5p n ASN 103 Cb 0.00 2.24 0.00 0.00 -1.02 0.00 0.00 39.78 41.00 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 -0.48 2.04 2.99 7.41 0.00 -1.26 -3.87 105.19 112.02 1o5p n GLY 104 Ca -0.03 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.36 -2.23 1.61 -0.02 -1.26 -4.91 135.00 126.82 1o5p n PRO 105 Ca 0.00 -0.40 -0.16 0.00 -2.02 0.00 0.00 63.50 60.92 1o5p n PRO 105 Cb 0.00 -1.33 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 0.39 1.98 0.00 0.00 175.50 177.87 1o5p n GLU 106 N -0.37 0.30 -4.34 -0.52 1.02 -1.26 -4.58 120.64 110.89 1o5p n GLU 106 Ca 0.03 -2.16 -0.24 0.00 -0.02 0.00 0.00 57.16 54.77 1o5p n GLU 106 Cb 0.38 -0.38 -0.08 0.00 -0.02 0.00 0.00 31.44 31.33 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 -4.27 1.84 -0.18 0.62 0.00 -1.26 -3.77 107.32 100.29 1o5p s GLY 107 Ca 0.48 -1.80 -0.11 0.00 0.00 0.00 0.00 44.72 43.29 1o5p s GLY 107 CO 0.32 -1.83 0.18 0.14 0.00 0.00 0.00 173.10 171.91 1o5p s VAL 108 N -2.43 5.38 -0.04 1.40 1.01 0.14 -4.68 120.40 121.18 1o5p s VAL 108 Ca 0.32 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 1o5p s VAL 108 Cb -0.04 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1o5p s VAL 108 CO 0.19 0.43 1.33 0.00 0.00 0.00 0.00 175.10 177.05 1o5p s ALA 109 N 0.32 3.56 0.49 5.51 0.00 -1.26 0.25 121.76 130.63 1o5p s ALA 109 Ca 0.11 0.75 0.06 0.00 0.00 0.00 0.00 51.96 52.87 1o5p s ALA 109 Cb -0.12 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.45 1o5p s ALA 109 CO 0.00 -0.92 0.67 0.96 0.00 0.00 0.00 175.76 176.48 1o5p s ILE 110 N 2.55 2.78 0.07 0.00 -4.36 -1.06 -4.84 121.20 116.34 1o5p s ILE 110 Ca 0.61 -0.88 0.01 0.00 -0.26 0.00 0.00 60.65 60.12 1o5p s ILE 110 Cb -0.28 -2.89 -0.04 0.00 1.25 0.00 0.00 42.46 40.50 1o5p s ILE 110 CO 0.24 0.00 -0.06 -0.55 0.24 0.00 0.00 174.94 174.81 1o5p s SER 111 N -4.42 0.90 -0.56 4.36 0.15 0.18 -4.77 113.70 109.53 1o5p s SER 111 Ca 0.57 -0.91 0.05 0.00 0.70 0.00 0.00 55.95 56.35 1o5p s SER 111 Cb -0.09 0.11 0.18 0.00 -1.71 0.00 0.00 66.02 64.50 1o5p s SER 111 CO 0.36 -0.45 0.44 0.49 1.20 0.00 0.00 173.24 175.27 1o5p n PHE 112 N 0.29 1.31 0.44 3.44 3.01 -1.26 -2.95 117.46 121.74 1o5p n PHE 112 Ca -0.15 -3.84 0.04 0.00 1.01 0.00 0.00 57.45 54.51 1o5p n PHE 112 Cb 0.60 -0.22 0.21 0.00 -0.01 0.00 0.00 39.48 40.06 1o5p n PHE 112 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04