#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 2.40 0.79 0.00 0.00 -1.26 -5.08 121.76 118.61 1o5p s ALA 2 Ca 0.00 -1.64 -0.14 0.00 0.00 0.00 0.00 51.96 50.19 1o5p s ALA 2 Cb 0.00 -0.27 0.07 0.00 0.00 0.00 0.00 23.12 22.92 1o5p s ALA 2 CO 0.00 0.34 1.20 -2.14 0.00 0.00 0.00 175.76 175.16 1o5p s PRO 3 N -2.87 1.78 0.08 0.00 0.01 0.15 -4.69 135.00 129.46 1o5p s PRO 3 Ca 0.21 1.74 -0.01 0.00 0.01 0.00 0.00 61.00 62.95 1o5p s PRO 3 Cb -0.07 -1.79 -0.04 0.00 0.01 0.00 0.00 34.50 32.61 1o5p s PRO 3 CO 0.10 -2.10 -0.01 0.95 0.01 0.00 0.00 177.00 175.95 1o5p s THR 4 N -2.13 0.23 -0.11 0.99 -4.23 1.18 -4.90 115.64 106.66 1o5p s THR 4 Ca 0.73 -1.85 -0.06 0.00 -1.18 0.00 0.00 61.69 59.33 1o5p s THR 4 Cb -0.28 -1.70 0.05 0.00 1.34 0.00 0.00 72.50 71.91 1o5p s THR 4 CO 0.49 -0.83 0.26 0.00 -0.54 0.00 0.00 174.62 174.01 1o5p s ALA 5 N -3.93 -0.61 -0.43 3.99 0.00 -1.26 0.22 121.76 119.76 1o5p s ALA 5 Ca 0.13 1.05 -0.10 0.00 0.00 0.00 0.00 51.96 53.03 1o5p s ALA 5 Cb 0.08 -0.71 0.08 0.00 0.00 0.00 0.00 23.12 22.56 1o5p s ALA 5 CO -0.06 -0.26 0.28 0.95 0.00 0.00 0.00 175.76 176.67 1o5p s THR 6 N 1.41 4.38 -0.21 0.00 -4.23 -0.18 -4.79 115.64 112.03 1o5p s THR 6 Ca -0.08 -1.35 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1o5p s THR 6 Cb -0.10 -3.67 0.03 0.00 1.34 0.00 0.00 72.50 70.09 1o5p s THR 6 CO -0.09 -0.52 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.63 1o5p s VAL 7 N 1.46 2.28 -0.08 2.29 1.01 -1.24 0.12 120.40 126.23 1o5p s VAL 7 Ca 0.03 -1.07 -0.31 0.00 0.00 0.00 0.00 61.98 60.64 1o5p s VAL 7 Cb -0.23 -2.07 0.08 0.00 0.00 0.00 0.00 36.38 34.16 1o5p s VAL 7 CO 0.03 0.37 0.76 -0.89 0.00 0.00 0.00 175.10 175.36 1o5p s THR 8 N 1.27 0.00 0.50 3.92 2.01 -0.66 -4.36 115.64 118.32 1o5p s THR 8 Ca 0.02 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.83 1o5p s THR 8 Cb -0.15 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.28 1o5p s THR 8 CO -0.10 0.00 1.01 -2.16 -0.69 0.00 0.00 174.62 172.68 1o5p s PRO 9 N -1.13 3.83 0.03 4.92 0.05 -1.26 -1.11 135.00 140.33 1o5p s PRO 9 Ca -0.09 1.18 0.18 0.00 0.05 0.00 0.00 61.00 62.33 1o5p s PRO 9 Cb -0.00 -2.11 -0.17 0.00 0.05 0.00 0.00 34.50 32.27 1o5p s PRO 9 CO 0.08 -0.38 0.69 -1.13 0.05 0.00 0.00 177.00 176.30 1o5p n SER 10 N -1.26 0.60 -4.23 6.66 3.41 -1.26 -4.78 113.62 112.75 1o5p n SER 10 Ca 0.08 0.26 -0.13 0.00 -0.26 0.00 0.00 58.87 58.81 1o5p n SER 10 Cb 0.53 0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 64.99 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 -5.48 1.46 -0.20 4.04 0.01 -1.26 0.56 113.70 112.82 1o5p s SER 11 Ca -0.04 -1.08 -0.01 0.00 1.31 0.00 0.00 55.95 56.13 1o5p s SER 11 Cb 0.09 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1o5p s SER 11 CO 0.83 -0.45 0.11 0.61 0.41 0.00 0.00 173.24 174.75 1o5p n GLY 12 N -0.19 0.61 0.13 3.44 0.00 -1.15 -4.91 105.19 103.12 1o5p n GLY 12 Ca -0.09 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.90 2.43 -1.05 0.99 4.77 -1.26 -5.06 117.00 116.92 1o5p n LEU 13 Ca -0.01 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1o5p n LEU 13 Cb 0.51 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1o5p n LEU 13 CO 0.07 0.70 -0.31 -0.24 -1.33 0.00 0.00 177.39 176.28 1o5p n SER 14 N -3.75 -5.88 -4.47 -1.43 2.88 -1.26 -3.82 113.62 95.89 1o5p n SER 14 Ca -0.33 1.01 -0.46 0.00 -1.33 0.00 0.00 58.87 57.75 1o5p n SER 14 Cb 0.94 -2.95 -0.08 0.00 -0.75 0.00 0.00 64.21 61.38 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 -1.49 1.85 0.00 -3.46 5.75 -1.26 -1.99 116.55 115.95 1o5p n ASP 15 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 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 6.44 1.53 1.09 6.12 0.00 -1.26 -5.05 105.19 114.06 1o5p n GLY 16 Ca 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.47 0.00 -4.56 2.61 5.66 -0.84 -4.96 114.28 111.71 1o5p n THR 17 Ca 0.00 -0.58 -0.21 0.00 -3.05 0.00 0.00 64.05 60.21 1o5p n THR 17 Cb 0.00 -0.61 -0.15 0.00 -1.55 0.00 0.00 70.33 68.02 1o5p n THR 17 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1o5p s VAL 18 N -0.39 0.98 0.19 1.08 1.01 -1.26 -2.01 120.40 120.01 1o5p s VAL 18 Ca 0.13 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.68 1o5p s VAL 18 Cb -0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1o5p s VAL 18 CO 0.08 0.28 -0.11 0.68 0.00 0.00 0.00 175.10 176.03 1o5p s VAL 19 N -0.24 3.08 -0.35 2.92 -7.23 0.16 -4.73 120.40 114.00 1o5p s VAL 19 Ca 0.04 -1.76 -0.07 0.00 -1.81 0.00 0.00 61.98 58.38 1o5p s VAL 19 Cb -0.05 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.40 1o5p s VAL 19 CO -0.00 -0.15 0.13 -0.75 -0.31 0.00 0.00 175.10 174.02 1o5p s LYS 20 N -2.91 2.61 -0.23 4.82 2.20 -0.27 -0.88 119.74 125.08 1o5p s LYS 20 Ca 0.25 -1.22 -0.07 0.00 -0.36 0.00 0.00 55.97 54.57 1o5p s LYS 20 Cb -0.08 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 1o5p s LYS 20 CO 0.15 -0.71 0.07 0.54 -0.36 0.00 0.00 175.35 175.04 1o5p s VAL 21 N 1.41 4.44 0.35 4.02 0.11 -0.87 -1.65 120.40 128.20 1o5p s VAL 21 Ca -0.01 -0.14 0.08 0.00 -2.93 0.00 0.00 61.98 58.99 1o5p s VAL 21 Cb -0.20 -3.06 -0.05 0.00 -1.53 0.00 0.00 36.38 31.55 1o5p s VAL 21 CO 0.03 0.36 0.10 0.00 -3.33 0.00 0.00 175.10 172.26 1o5p s ALA 22 N 1.32 3.39 -0.22 1.54 0.00 0.32 -2.28 121.76 125.84 1o5p s ALA 22 Ca 0.05 -1.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.05 1o5p s ALA 22 Cb -0.15 -0.54 0.09 0.00 0.00 0.00 0.00 23.12 22.53 1o5p s ALA 22 CO 0.04 0.02 0.20 0.20 0.00 0.00 0.00 175.76 176.21 1o5p s GLY 23 N -3.80 0.10 -0.04 0.00 0.00 0.23 -1.01 107.32 102.79 1o5p s GLY 23 Ca 0.37 -0.05 0.05 0.00 0.00 0.00 0.00 44.72 45.09 1o5p s GLY 23 CO 0.21 2.13 -0.19 0.00 0.00 0.00 0.00 173.10 175.26 1o5p s ALA 24 N 2.27 2.47 0.00 3.20 0.00 0.61 0.65 121.76 130.97 1o5p s ALA 24 Ca 0.07 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1o5p s ALA 24 Cb -0.16 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1o5p s ALA 24 CO -0.17 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.54 1o5p n GLY 25 N 2.40 0.83 4.00 0.00 0.00 -0.92 0.37 105.19 111.87 1o5p n GLY 25 Ca -0.17 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 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 3.17 -0.81 0.99 1.43 -0.87 -0.67 118.68 121.92 1o5p s LEU 26 Ca 0.00 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 1o5p s LEU 26 Cb 0.00 -2.29 -0.17 0.00 0.03 0.00 0.00 46.19 43.77 1o5p s LEU 26 CO 0.00 -1.41 2.59 0.00 0.23 0.00 0.00 176.35 177.77 1o5p n GLN 27 N -2.46 0.38 -1.28 1.70 3.00 -1.26 -4.09 117.38 113.38 1o5p n GLN 27 Ca 0.12 -0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.93 1o5p n GLN 27 Cb 0.60 -2.21 -0.10 0.00 0.00 0.00 0.00 30.24 28.53 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 12.47 0.34 0.00 -1.58 0.00 -1.24 -1.25 120.51 129.25 1o5p n ALA 28 Ca 0.55 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.89 1o5p n ALA 28 Cb 0.22 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 16.71 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 5.63 0.45 2.65 0.00 0.00 0.92 -4.83 105.19 110.01 1o5p n GLY 29 Ca 0.36 0.00 -0.24 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 -0.56 -0.17 -0.40 2.61 -4.23 -0.38 -4.88 115.64 107.62 1o5p s THR 30 Ca 0.00 -0.21 -0.38 0.00 -1.18 0.00 0.00 61.69 59.92 1o5p s THR 30 Cb 0.00 -0.66 -0.14 0.00 1.34 0.00 0.00 72.50 73.05 1o5p s THR 30 CO 0.00 -0.31 2.18 0.00 -0.54 0.00 0.00 174.62 175.96 1o5p n ALA 31 N 5.29 0.81 -2.91 3.99 0.00 -1.26 -2.72 120.51 123.70 1o5p n ALA 31 Ca -0.06 0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.11 1o5p n ALA 31 Cb 0.48 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 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 6.96 3.49 0.23 0.00 2.02 0.17 -4.60 117.35 125.62 1o5p s TYR 32 Ca 1.13 0.18 0.05 0.00 -0.37 0.00 0.00 57.07 58.06 1o5p s TYR 32 Cb -1.06 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 38.76 1o5p s TYR 32 CO 0.54 0.51 0.27 0.34 -1.57 0.00 0.00 175.55 175.64 1o5p s ASP 33 N -3.06 5.96 -0.08 2.29 2.15 0.70 -1.79 116.67 122.83 1o5p s ASP 33 Ca 0.35 -0.06 -0.03 0.00 0.43 0.00 0.00 52.55 53.25 1o5p s ASP 33 Cb -0.11 -1.66 0.04 0.00 -0.30 0.00 0.00 42.92 40.89 1o5p s ASP 33 CO 0.28 -0.03 0.11 0.54 -0.17 0.00 0.00 175.17 175.90 1o5p s VAL 34 N -1.99 -0.18 0.21 1.11 0.11 -0.87 -0.79 120.40 118.00 1o5p s VAL 34 Ca 0.33 0.30 -0.21 0.00 -2.93 0.00 0.00 61.98 59.48 1o5p s VAL 34 Cb -0.09 -0.29 0.07 0.00 -1.53 0.00 0.00 36.38 34.55 1o5p s VAL 34 CO 0.27 0.09 1.00 0.61 -3.33 0.00 0.00 175.10 173.74 1o5p n GLY 35 N 5.31 0.65 3.42 6.54 0.00 -0.93 -0.29 105.19 119.89 1o5p n GLY 35 Ca -0.04 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.06 2.92 0.05 1.61 -2.07 -1.26 -2.60 119.66 116.25 1o5p s GLN 36 Ca 0.22 -1.11 0.05 0.00 -1.82 0.00 0.00 55.36 52.69 1o5p s GLN 36 Cb -0.03 -3.95 -0.02 0.00 -1.09 0.00 0.00 33.01 27.92 1o5p s GLN 36 CO 0.06 -0.80 -0.14 0.00 -1.32 0.00 0.00 175.29 173.10 1o5p s ALA 38 N -0.97 2.24 -0.36 0.00 0.00 -0.69 -1.64 121.76 120.35 1o5p s ALA 38 Ca 0.00 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 50.73 1o5p s ALA 38 Cb -0.08 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.36 1o5p s ALA 38 CO 0.01 0.48 0.43 -1.58 0.00 0.00 0.00 175.76 175.11 1o5p s TRP 39 N -0.41 3.19 -0.87 0.00 0.51 -1.26 -1.74 118.94 118.37 1o5p s TRP 39 Ca 0.04 0.01 0.16 0.00 -2.12 0.00 0.00 56.10 54.19 1o5p s TRP 39 Cb -0.12 -2.80 0.56 0.00 -0.81 0.00 0.00 33.47 30.29 1o5p s TRP 39 CO 0.01 -0.51 1.47 1.33 -0.51 0.00 0.00 176.95 178.74 1o5p n VAL 40 N 5.34 1.69 -1.52 4.03 0.24 -0.89 -4.76 118.33 122.46 1o5p n VAL 40 Ca -0.07 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 1o5p n VAL 40 Cb 0.49 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 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 8.00 -1.26 -4.95 116.55 113.03 1o5p n ASP 41 Ca 0.21 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.34 1o5p n ASP 41 Cb 0.75 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.82 1o5p n ASP 41 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1o5p s THR 42 N -2.46 3.42 0.00 -3.53 -1.32 -1.26 -2.80 115.64 107.68 1o5p s THR 42 Ca 0.00 0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 1o5p s THR 42 Cb 0.00 -4.07 0.00 0.00 -1.51 0.00 0.00 72.50 66.92 1o5p s THR 42 CO 0.00 -1.03 0.00 0.61 -2.21 0.00 0.00 174.62 171.99 1o5p n GLY 43 N 5.90 0.69 3.13 6.08 0.00 -1.26 -5.04 105.19 114.69 1o5p n GLY 43 Ca 0.22 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 2.93 -0.32 1.61 1.01 -1.12 -4.95 120.40 117.56 1o5p s VAL 44 Ca 0.00 -1.71 0.02 0.00 0.00 0.00 0.00 61.98 60.29 1o5p s VAL 44 Cb 0.00 -2.84 0.08 0.00 0.00 0.00 0.00 36.38 33.63 1o5p s VAL 44 CO 0.00 -0.32 0.01 -0.22 0.00 0.00 0.00 175.10 174.56 1o5p s LEU 45 N 1.17 4.27 -0.42 3.92 2.96 -1.26 -2.11 118.68 127.20 1o5p s LEU 45 Ca 0.00 -1.76 -0.16 0.00 -0.22 0.00 0.00 54.13 51.99 1o5p s LEU 45 Cb -0.21 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 44.87 1o5p s LEU 45 CO -0.03 -0.32 0.39 0.00 -1.32 0.00 0.00 176.35 175.07 1o5p s ALA 46 N 1.05 3.45 0.32 5.97 0.00 -0.71 -3.35 121.76 128.49 1o5p s ALA 46 Ca 0.02 -1.62 0.07 0.00 0.00 0.00 0.00 51.96 50.43 1o5p s ALA 46 Cb -0.20 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1o5p s ALA 46 CO -0.05 -1.56 0.30 0.00 0.00 0.00 0.00 175.76 174.44 1o5p s ASN 48 N -3.99 4.83 0.00 0.00 3.84 -0.85 -0.75 114.94 118.02 1o5p s ASN 48 Ca 0.40 -0.01 0.00 0.00 0.21 0.00 0.00 52.86 53.46 1o5p s ASN 48 Cb -0.06 -1.41 0.00 0.00 -0.55 0.00 0.00 41.25 39.22 1o5p s ASN 48 CO 0.27 0.31 0.50 -0.81 -2.79 0.00 0.00 177.10 174.58 1o5p n PRO 49 N 2.56 0.72 -0.02 0.43 -0.04 -1.26 -3.08 135.00 134.31 1o5p n PRO 49 Ca -0.18 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.30 1o5p n PRO 49 Cb 0.53 -1.27 0.03 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.34 2.34 -1.21 0.55 0.00 -1.26 -4.50 120.51 116.76 1o5p n ALA 50 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 53.44 52.73 1o5p n ALA 50 Cb 0.25 -0.13 0.01 0.00 0.00 0.00 0.00 19.45 19.58 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 0.07 0.37 -4.56 0.00 5.75 -1.18 -2.43 116.55 114.58 1o5p n ASP 51 Ca 0.03 -1.56 -0.40 0.00 -0.01 0.00 0.00 54.79 52.84 1o5p n ASP 51 Cb 0.17 -0.09 -0.03 0.00 -1.03 0.00 0.00 41.12 40.14 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 -0.30 2.44 0.00 2.11 0.08 -1.25 -3.17 117.98 117.88 1o5p s PHE 52 Ca 0.02 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.45 1o5p s PHE 52 Cb 0.02 -4.64 0.00 0.00 -0.57 0.00 0.00 43.02 37.83 1o5p s PHE 52 CO 0.00 -1.95 0.00 0.43 -0.10 0.00 0.00 175.22 173.60 1o5p n SER 53 N 9.32 1.26 0.00 1.36 7.64 0.60 -4.94 113.62 128.86 1o5p n SER 53 Ca 0.29 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 59.29 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 -1.53 0.00 -3.69 6.43 2.88 -1.26 -2.06 113.62 114.40 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 -0.68 0.07 -0.02 2.46 0.11 -0.74 -4.96 120.40 116.64 1o5p s VAL 55 Ca 0.00 -0.60 -0.06 0.00 -2.93 0.00 0.00 61.98 58.39 1o5p s VAL 55 Cb 0.00 -1.06 -0.05 0.00 -1.53 0.00 0.00 36.38 33.75 1o5p s VAL 55 CO 0.00 -0.33 0.24 -0.89 -3.33 0.00 0.00 175.10 170.79 1o5p s THR 56 N -3.06 5.35 -0.36 5.04 2.01 -1.26 0.45 115.64 123.80 1o5p s THR 56 Ca -0.02 0.15 -0.28 0.00 0.31 0.00 0.00 61.69 61.86 1o5p s THR 56 Cb 0.01 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1o5p s THR 56 CO -0.07 0.42 2.06 0.00 -0.69 0.00 0.00 174.62 176.34 1o5p s ALA 57 N -1.24 2.49 0.00 7.40 0.00 -1.10 -4.70 121.76 124.60 1o5p s ALA 57 Ca 0.25 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1o5p s ALA 57 Cb -0.13 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.85 1o5p s ALA 57 CO 0.14 -3.21 0.00 -0.40 0.00 0.00 0.00 175.76 172.29 1o5p n ASP 58 N 12.18 0.00 -0.12 0.00 5.75 -1.26 0.31 116.55 133.41 1o5p n ASP 58 Ca 0.27 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 55.00 1o5p n ASP 58 Cb 0.48 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.59 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 0.21 0.00 2.12 0.00 -1.92 -3.12 119.26 114.55 1o5p h ALA 59 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 54.91 54.76 1o5p h ALA 59 Cb 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1o5p h ALA 59 CO 0.00 -0.49 -2.15 -1.71 0.00 0.00 0.00 179.25 174.91 1o5p n ASN 60 N -5.33 1.55 0.00 0.00 2.85 -1.26 -4.55 115.26 108.52 1o5p n ASN 60 Ca 0.02 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1o5p n ASN 60 Cb 0.24 0.40 0.00 0.00 1.24 0.00 0.00 39.78 41.66 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1o5p n GLY 61 N 2.20 0.72 3.59 8.20 0.00 -1.18 -2.05 105.19 116.67 1o5p n GLY 61 Ca -0.31 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.17 5.65 -0.20 1.61 0.01 -1.22 -2.16 113.70 116.22 1o5p s SER 62 Ca 0.00 0.00 -0.03 0.00 1.31 0.00 0.00 55.95 57.24 1o5p s SER 62 Cb 0.00 -2.00 0.06 0.00 0.21 0.00 0.00 66.02 64.29 1o5p s SER 62 CO 0.00 0.07 0.04 0.00 0.41 0.00 0.00 173.24 173.76 1o5p s ALA 63 N 0.98 1.04 -0.22 1.44 0.00 0.21 -4.61 121.76 120.60 1o5p s ALA 63 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1o5p s ALA 63 Cb -0.14 -1.21 0.03 0.00 0.00 0.00 0.00 23.12 21.80 1o5p s ALA 63 CO 0.03 -1.21 -0.14 -1.12 0.00 0.00 0.00 175.76 173.33 1o5p s SER 64 N 1.84 3.76 -0.04 0.00 0.01 -1.26 0.76 113.70 118.77 1o5p s SER 64 Ca -0.00 -0.82 -0.04 0.00 1.31 0.00 0.00 55.95 56.40 1o5p s SER 64 Cb -0.17 -1.56 0.01 0.00 0.21 0.00 0.00 66.02 64.51 1o5p s SER 64 CO -0.09 -0.07 0.10 0.28 0.41 0.00 0.00 173.24 173.87 1o5p s THR 65 N 1.28 -0.00 -0.16 1.44 -1.32 -0.97 -4.99 115.64 110.93 1o5p s THR 65 Ca 0.01 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.40 1o5p s THR 65 Cb -0.15 -0.15 -0.05 0.00 -1.51 0.00 0.00 72.50 70.64 1o5p s THR 65 CO -0.09 0.00 0.15 -0.94 -2.21 0.00 0.00 174.62 171.54 1o5p s SER 66 N 0.07 6.32 0.22 8.08 1.04 -1.26 -2.04 113.70 126.12 1o5p s SER 66 Ca -0.00 0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.83 1o5p s SER 66 Cb -0.01 -2.09 -0.05 0.00 0.10 0.00 0.00 66.02 63.97 1o5p s SER 66 CO 0.00 0.28 0.00 -1.48 0.98 0.00 0.00 173.24 173.02 1o5p s LEU 67 N -0.27 2.14 -0.22 2.42 0.05 -0.06 -4.91 118.68 117.84 1o5p s LEU 67 Ca 0.12 -1.22 -0.13 0.00 0.05 0.00 0.00 54.13 52.95 1o5p s LEU 67 Cb -0.12 -0.21 -0.04 0.00 -2.05 0.00 0.00 46.19 43.77 1o5p s LEU 67 CO 0.01 -0.54 0.29 0.42 -0.55 0.00 0.00 176.35 175.99 1o5p s THR 68 N -3.49 5.27 0.01 5.48 -4.23 -1.02 0.39 115.64 118.05 1o5p s THR 68 Ca 0.28 0.47 0.02 0.00 -1.18 0.00 0.00 61.69 61.28 1o5p s THR 68 Cb 0.06 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.26 1o5p s THR 68 CO 0.08 0.30 -0.06 0.68 -0.54 0.00 0.00 174.62 175.08 1o5p s VAL 69 N 1.17 0.45 0.20 2.29 -7.23 -0.85 -4.06 120.40 112.37 1o5p s VAL 69 Ca 0.14 -0.52 -0.00 0.00 -1.81 0.00 0.00 61.98 59.79 1o5p s VAL 69 Cb -0.14 -0.44 0.00 0.00 0.56 0.00 0.00 36.38 36.36 1o5p s VAL 69 CO 0.06 -0.06 0.26 -2.11 -0.31 0.00 0.00 175.10 172.94 1o5p n ARG 70 N 2.43 0.37 0.00 4.82 1.85 -1.26 -4.22 116.66 120.66 1o5p n ARG 70 Ca -0.16 -1.64 0.00 0.00 -1.00 0.00 0.00 57.85 55.04 1o5p n ARG 70 Cb 0.57 1.54 0.00 0.00 -1.05 0.00 0.00 32.46 33.52 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 -4.55 116.66 113.55 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 0.34 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.75 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 2.71 -3.64 2.89 7.64 -1.26 -1.94 113.62 120.02 1o5p n SER 72 Ca 0.00 1.14 -0.09 0.00 1.01 0.00 0.00 58.87 60.93 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 -1.17 -0.73 -0.27 1.43 -0.71 -0.64 -4.81 117.98 111.08 1o5p s PHE 73 Ca 0.59 1.64 -0.31 0.00 -1.04 0.00 0.00 56.93 57.81 1o5p s PHE 73 Cb -0.52 0.40 -0.13 0.00 -1.21 0.00 0.00 43.02 41.55 1o5p s PHE 73 CO 0.60 -0.36 1.01 0.39 -1.34 0.00 0.00 175.22 175.51 1o5p n GLU 74 N 3.10 0.00 -1.71 1.99 -0.58 -1.26 -1.67 120.64 120.51 1o5p n GLU 74 Ca -0.16 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.25 1o5p n GLU 74 Cb 0.57 -1.01 -0.01 0.00 -0.57 0.00 0.00 31.44 30.42 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 2.36 4.92 3.43 0.62 0.00 -0.50 -2.62 105.19 113.40 1o5p n GLY 75 Ca 0.19 -2.18 -0.63 0.00 0.00 0.00 0.00 46.02 43.41 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 0.21 1.38 -2.98 1.61 3.01 0.07 -2.30 117.46 118.46 1o5p n PHE 76 Ca 0.51 0.89 -0.40 0.00 1.01 0.00 0.00 57.45 59.46 1o5p n PHE 76 Cb 0.39 -2.27 -0.04 0.00 -0.01 0.00 0.00 39.48 37.55 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 4.96 4.25 -0.34 4.37 2.96 -0.72 -1.94 118.68 132.22 1o5p s LEU 77 Ca 1.15 1.18 -0.02 0.00 -0.22 0.00 0.00 54.13 56.21 1o5p s LEU 77 Cb -1.49 -3.15 -0.03 0.00 0.50 0.00 0.00 46.19 42.02 1o5p s LEU 77 CO 0.71 -0.24 1.48 0.33 -1.32 0.00 0.00 176.35 177.31 1o5p n PHE 78 N 4.44 0.51 -1.99 5.38 7.35 -1.21 -2.89 117.46 129.04 1o5p n PHE 78 Ca 0.01 -1.03 0.00 0.00 -0.76 0.00 0.00 57.45 55.67 1o5p n PHE 78 Cb 0.50 -1.02 0.00 0.00 0.35 0.00 0.00 39.48 39.31 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 4.29 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.38 1o5p n ASP 79 Ca 0.19 -1.06 0.00 0.00 -1.51 0.00 0.00 54.79 52.41 1o5p n ASP 79 Cb 0.10 -0.01 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 2.79 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 -1.09 5.09 -0.12 2.61 -4.23 -1.26 -4.97 115.64 111.68 1o5p s THR 81 Ca 0.00 -0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 60.05 1o5p s THR 81 Cb 0.00 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 1o5p s THR 81 CO 0.00 -0.57 0.02 0.00 -0.54 0.00 0.00 174.62 173.53 1o5p s ARG 82 N -4.32 3.38 0.23 3.99 1.70 -1.26 -1.76 118.95 120.91 1o5p s ARG 82 Ca 0.40 -0.39 0.24 0.00 -0.47 0.00 0.00 55.73 55.52 1o5p s ARG 82 Cb -0.10 -2.94 0.47 0.00 -0.57 0.00 0.00 34.95 31.81 1o5p s ARG 82 CO 0.36 0.52 1.51 2.35 -1.08 0.00 0.00 175.30 178.97 1o5p h TRP 83 N 5.78 0.00 0.00 5.89 7.01 -1.79 -3.46 115.95 129.39 1o5p h TRP 83 Ca -0.44 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.56 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 1.26 1.05 3.57 2.65 0.00 -1.26 -4.86 105.19 107.60 1o5p n GLY 84 Ca 0.04 -2.15 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.38 3.18 -0.51 2.61 -4.23 -1.26 -1.41 115.64 112.65 1o5p s THR 85 Ca 0.00 0.15 -0.28 0.00 -1.18 0.00 0.00 61.69 60.38 1o5p s THR 85 Cb 0.00 -3.35 0.01 0.00 1.34 0.00 0.00 72.50 70.51 1o5p s THR 85 CO 0.00 -0.29 1.38 -0.69 -0.54 0.00 0.00 174.62 174.48 1o5p s VAL 86 N 9.56 3.87 -0.26 2.29 1.01 -0.67 -4.66 120.40 131.53 1o5p s VAL 86 Ca 0.88 0.81 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 1o5p s VAL 86 Cb -0.21 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 1o5p s VAL 86 CO 0.28 -1.03 1.86 -1.81 0.00 0.00 0.00 175.10 174.40 1o5p s ASP 87 N 4.04 5.93 0.00 3.32 1.11 -1.26 -1.62 116.67 128.18 1o5p s ASP 87 Ca 0.54 1.56 0.06 0.00 0.18 0.00 0.00 52.55 54.89 1o5p s ASP 87 Cb -0.11 -2.52 0.29 0.00 1.07 0.00 0.00 42.92 41.64 1o5p s ASP 87 CO 0.28 -1.63 1.02 0.00 1.18 0.00 0.00 175.17 176.02 1o5p n THR 89 N -1.28 0.00 -0.06 0.00 -2.24 -1.26 -4.12 114.28 105.32 1o5p n THR 89 Ca 0.03 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 1o5p n THR 89 Cb 0.04 0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.40 0.68 -3.72 4.28 -2.24 -0.14 -5.06 114.28 107.68 1o5p n THR 90 Ca 0.19 -0.18 -0.25 0.00 -2.27 0.00 0.00 64.05 61.54 1o5p n THR 90 Cb 0.28 -1.64 0.01 0.00 -2.10 0.00 0.00 70.33 66.88 1o5p n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o5p s ALA 91 N -2.23 4.48 -0.32 6.98 0.00 -1.19 -5.09 121.76 124.40 1o5p s ALA 91 Ca -0.17 -1.44 -0.11 0.00 0.00 0.00 0.00 51.96 50.24 1o5p s ALA 91 Cb 0.07 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 1o5p s ALA 91 CO 0.22 -0.52 0.19 0.00 0.00 0.00 0.00 175.76 175.65 1o5p s ALA 92 N -2.75 3.41 -0.24 0.00 0.00 -1.26 -4.69 121.76 116.23 1o5p s ALA 92 Ca 0.40 -1.32 -0.14 0.00 0.00 0.00 0.00 51.96 50.89 1o5p s ALA 92 Cb -0.03 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 1o5p s ALA 92 CO 0.25 -0.85 0.32 0.00 0.00 0.00 0.00 175.76 175.47 1o5p s GLN 94 N 1.56 3.34 -0.39 0.00 -0.21 -0.65 -2.50 119.66 120.81 1o5p s GLN 94 Ca 0.14 -0.37 -0.12 0.00 0.02 0.00 0.00 55.36 55.03 1o5p s GLN 94 Cb -0.15 -3.03 0.03 0.00 1.00 0.00 0.00 33.01 30.86 1o5p s GLN 94 CO 0.08 0.67 0.24 0.08 -2.12 0.00 0.00 175.29 174.24 1o5p s VAL 95 N -1.29 4.76 0.10 1.09 1.01 0.13 -2.21 120.40 123.99 1o5p s VAL 95 Ca 0.26 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1o5p s VAL 95 Cb -0.12 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1o5p s VAL 95 CO 0.18 -0.28 0.13 0.61 0.00 0.00 0.00 175.10 175.74 1o5p n GLY 96 N 5.04 3.02 2.98 4.51 0.00 -1.07 0.36 105.19 120.04 1o5p n GLY 96 Ca -0.11 -1.51 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.24 -2.20 117.00 115.20 1o5p n LEU 97 Ca 0.01 -2.47 -0.02 0.00 -0.02 0.00 0.00 56.01 53.52 1o5p n LEU 97 Cb 0.17 0.16 -0.01 0.00 -1.62 0.00 0.00 43.42 42.12 1o5p n LEU 97 CO 0.09 -0.43 0.89 -0.94 -1.22 0.00 0.00 177.39 175.78 1o5p s SER 98 N -3.39 -0.13 0.00 -1.43 1.04 0.03 -4.42 113.70 105.41 1o5p s SER 98 Ca 0.10 -0.24 0.16 0.00 0.48 0.00 0.00 55.95 56.45 1o5p s SER 98 Cb -0.01 0.32 -0.16 0.00 0.10 0.00 0.00 66.02 66.27 1o5p s SER 98 CO 0.06 -0.58 0.70 0.47 0.98 0.00 0.00 173.24 174.87 1o5p n ASP 99 N -0.44 0.82 -1.42 7.02 8.00 -1.21 0.25 116.55 129.56 1o5p n ASP 99 Ca -0.07 -0.91 -0.08 0.00 0.71 0.00 0.00 54.79 54.44 1o5p n ASP 99 Cb 0.62 0.96 0.02 0.00 -0.02 0.00 0.00 41.12 42.70 1o5p n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1o5p n ALA 100 N -1.29 -0.40 0.00 2.24 0.00 -1.26 -4.77 120.51 115.03 1o5p n ALA 100 Ca 0.03 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1o5p n ALA 100 Cb 0.26 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 -3.11 1.48 0.00 0.00 0.00 -1.26 -5.04 120.51 112.57 1o5p n ALA 101 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1o5p n ALA 101 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 1.04 -0.00 3.37 0.00 0.00 -1.26 -5.15 105.19 103.19 1o5p n GLY 102 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.87 -0.66 1.61 5.03 -1.26 -5.05 115.26 113.06 1o5p n ASN 103 Ca 0.00 -2.56 0.00 0.00 0.87 0.00 0.00 54.58 52.89 1o5p n ASN 103 Cb 0.00 3.20 0.00 0.00 -1.02 0.00 0.00 39.78 41.96 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 -0.51 0.81 1.99 7.41 0.00 -1.26 -3.36 105.19 110.27 1o5p n GLY 104 Ca -0.06 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.93 -2.73 1.61 -0.02 -1.26 -4.94 135.00 126.72 1o5p n PRO 105 Ca 0.00 -0.48 -0.23 0.00 -2.02 0.00 0.00 63.50 60.77 1o5p n PRO 105 Cb 0.00 -0.97 0.10 0.00 -0.02 0.00 0.00 33.50 32.61 1o5p n PRO 105 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1o5p s GLU 106 N -2.84 1.75 0.37 -0.52 -1.05 -1.26 -4.68 118.70 110.46 1o5p s GLU 106 Ca 0.22 -1.35 0.08 0.00 -0.15 0.00 0.00 54.97 53.78 1o5p s GLU 106 Cb -0.04 -2.41 -0.06 0.00 -0.44 0.00 0.00 34.13 31.18 1o5p s GLU 106 CO 0.19 -1.37 -0.00 0.20 0.95 0.00 0.00 175.26 175.22 1o5p s GLY 107 N -4.76 2.25 -0.17 -3.83 0.00 -1.26 -3.73 107.32 95.81 1o5p s GLY 107 Ca 0.66 -2.11 -0.04 0.00 0.00 0.00 0.00 44.72 43.23 1o5p s GLY 107 CO 0.43 -1.99 -0.02 0.14 0.00 0.00 0.00 173.10 171.67 1o5p s VAL 108 N -2.60 4.02 -0.16 1.40 1.01 0.16 -4.79 120.40 119.44 1o5p s VAL 108 Ca 0.35 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 1o5p s VAL 108 Cb 0.04 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 1o5p s VAL 108 CO 0.19 0.48 1.38 0.00 0.00 0.00 0.00 175.10 177.14 1o5p s ALA 109 N 0.49 3.59 0.46 5.51 0.00 -1.26 0.21 121.76 130.76 1o5p s ALA 109 Ca -0.02 0.52 0.06 0.00 0.00 0.00 0.00 51.96 52.52 1o5p s ALA 109 Cb -0.14 -3.68 0.02 0.00 0.00 0.00 0.00 23.12 19.32 1o5p s ALA 109 CO 0.02 -1.34 0.63 0.96 0.00 0.00 0.00 175.76 176.03 1o5p s ILE 110 N 3.84 2.91 0.04 0.00 -4.36 -1.04 -4.83 121.20 117.77 1o5p s ILE 110 Ca 0.60 -0.89 -0.02 0.00 -0.26 0.00 0.00 60.65 60.08 1o5p s ILE 110 Cb -0.24 -3.01 -0.03 0.00 1.25 0.00 0.00 42.46 40.43 1o5p s ILE 110 CO 0.20 -0.00 0.01 -0.44 0.24 0.00 0.00 174.94 174.94 1o5p s SER 111 N -4.37 0.36 -0.46 4.36 0.01 0.19 -4.67 113.70 109.12 1o5p s SER 111 Ca 0.56 -0.79 0.03 0.00 1.31 0.00 0.00 55.95 57.06 1o5p s SER 111 Cb -0.10 0.19 0.15 0.00 0.21 0.00 0.00 66.02 66.47 1o5p s SER 111 CO 0.35 -0.53 0.30 -0.36 0.41 0.00 0.00 173.24 173.41 1o5p s PHE 112 N -3.16 1.72 -1.34 2.43 0.08 -1.26 -2.94 117.98 113.52 1o5p s PHE 112 Ca -0.00 -2.39 0.00 0.00 0.12 0.00 0.00 56.93 54.66 1o5p s PHE 112 Cb 0.02 -1.54 0.00 0.00 -0.57 0.00 0.00 43.02 40.93 1o5p s PHE 112 CO -0.07 -0.77 0.33 0.27 -0.10 0.00 0.00 175.22 174.88