#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 3.78 0.78 0.00 0.00 -1.26 -4.91 121.76 120.15 1o5p s ALA 2 Ca 0.00 -1.46 -0.14 0.00 0.00 0.00 0.00 51.96 50.36 1o5p s ALA 2 Cb 0.00 -1.37 0.06 0.00 0.00 0.00 0.00 23.12 21.81 1o5p s ALA 2 CO 0.00 0.15 1.16 -2.30 0.00 0.00 0.00 175.76 174.77 1o5p n PRO 3 N -1.32 0.32 -3.50 0.00 -0.02 -0.53 -4.11 135.00 125.84 1o5p n PRO 3 Ca -0.06 0.18 -0.09 0.00 -2.02 0.00 0.00 63.50 61.52 1o5p n PRO 3 Cb 0.58 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 1o5p n PRO 3 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1o5p s THR 4 N -2.00 0.00 -0.16 3.45 -4.23 1.07 -4.83 115.64 108.94 1o5p s THR 4 Ca 0.74 -0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 61.18 1o5p s THR 4 Cb -0.31 -1.01 0.07 0.00 1.34 0.00 0.00 72.50 72.59 1o5p s THR 4 CO 0.50 0.00 0.34 0.00 -0.54 0.00 0.00 174.62 174.92 1o5p s ALA 5 N -3.18 -0.87 -0.31 3.99 0.00 -1.26 0.26 121.76 120.39 1o5p s ALA 5 Ca 0.05 1.25 -0.02 0.00 0.00 0.00 0.00 51.96 53.23 1o5p s ALA 5 Cb -0.01 -1.11 0.05 0.00 0.00 0.00 0.00 23.12 22.05 1o5p s ALA 5 CO -0.09 -0.62 0.02 -0.08 0.00 0.00 0.00 175.76 174.99 1o5p s THR 6 N 2.31 3.06 -0.12 0.00 -1.32 -0.28 -4.87 115.64 114.42 1o5p s THR 6 Ca -0.02 -1.41 0.02 0.00 -1.21 0.00 0.00 61.69 59.07 1o5p s THR 6 Cb -0.11 -2.78 -0.01 0.00 -1.51 0.00 0.00 72.50 68.09 1o5p s THR 6 CO -0.11 -0.15 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.28 1o5p s VAL 7 N 1.25 2.61 -0.17 5.08 1.01 -1.26 -0.33 120.40 128.60 1o5p s VAL 7 Ca -0.04 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 1o5p s VAL 7 Cb -0.20 -2.06 0.12 0.00 0.00 0.00 0.00 36.38 34.24 1o5p s VAL 7 CO -0.01 0.54 0.97 -0.89 0.00 0.00 0.00 175.10 175.71 1o5p s THR 8 N 0.35 0.00 0.37 3.92 2.01 0.26 -4.48 115.64 118.08 1o5p s THR 8 Ca -0.14 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.63 1o5p s THR 8 Cb -0.17 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.24 1o5p s THR 8 CO 0.07 0.00 0.92 -2.16 -0.69 0.00 0.00 174.62 172.76 1o5p s PRO 9 N -0.93 4.35 0.07 4.92 0.05 -1.26 -0.63 135.00 141.57 1o5p s PRO 9 Ca -0.02 1.16 0.18 0.00 0.05 0.00 0.00 61.00 62.37 1o5p s PRO 9 Cb -0.01 -2.46 -0.12 0.00 0.05 0.00 0.00 34.50 31.95 1o5p s PRO 9 CO 0.01 0.12 0.82 -1.13 0.05 0.00 0.00 177.00 176.87 1o5p n SER 10 N -0.11 0.78 -4.31 6.66 3.41 -1.26 -4.73 113.62 114.05 1o5p n SER 10 Ca 0.04 0.33 -0.17 0.00 -0.26 0.00 0.00 58.87 58.82 1o5p n SER 10 Cb 0.52 0.35 -0.10 0.00 -0.26 0.00 0.00 64.21 64.72 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 -5.62 2.10 -0.21 4.04 0.01 -1.26 0.46 113.70 113.22 1o5p s SER 11 Ca -0.03 -1.07 -0.01 0.00 1.31 0.00 0.00 55.95 56.15 1o5p s SER 11 Cb 0.09 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.27 1o5p s SER 11 CO 0.81 -0.33 0.14 0.61 0.41 0.00 0.00 173.24 174.88 1o5p n GLY 12 N -0.33 0.64 0.13 3.44 0.00 -1.15 -4.91 105.19 103.01 1o5p n GLY 12 Ca -0.08 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.01 2.42 -0.97 0.99 4.77 -1.26 -5.07 117.00 116.87 1o5p n LEU 13 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1o5p n LEU 13 Cb 0.51 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1o5p n LEU 13 CO 0.08 0.69 -0.29 -0.24 -1.33 0.00 0.00 177.39 176.31 1o5p n SER 14 N -3.78 -5.47 -4.46 -1.43 2.88 -1.26 -3.85 113.62 96.25 1o5p n SER 14 Ca -0.37 0.91 -0.47 0.00 -1.33 0.00 0.00 58.87 57.61 1o5p n SER 14 Cb 0.93 -2.62 -0.08 0.00 -0.75 0.00 0.00 64.21 61.69 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 -1.41 1.85 0.00 -3.46 5.75 -1.26 -1.97 116.55 116.05 1o5p n ASP 15 Ca 0.00 0.23 0.00 0.00 -0.01 0.00 0.00 54.79 55.01 1o5p n ASP 15 Cb 0.11 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 38.95 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 6.48 1.49 0.87 6.12 0.00 -1.26 -5.06 105.19 113.83 1o5p n GLY 16 Ca 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.64 0.00 -4.73 2.61 5.66 -0.83 -4.96 114.28 111.40 1o5p n THR 17 Ca 0.00 -0.46 -0.24 0.00 -3.05 0.00 0.00 64.05 60.31 1o5p n THR 17 Cb 0.00 -0.68 -0.15 0.00 -1.55 0.00 0.00 70.33 67.94 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 -0.14 1.23 0.21 1.08 1.01 -1.26 -2.07 120.40 120.46 1o5p s VAL 18 Ca 0.11 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.52 1o5p s VAL 18 Cb -0.01 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1o5p s VAL 18 CO 0.07 0.35 -0.03 0.68 0.00 0.00 0.00 175.10 176.17 1o5p s VAL 19 N -0.24 3.44 -0.35 2.92 -7.23 0.18 -4.76 120.40 114.37 1o5p s VAL 19 Ca 0.03 -1.70 -0.06 0.00 -1.81 0.00 0.00 61.98 58.44 1o5p s VAL 19 Cb -0.07 -2.77 0.04 0.00 0.56 0.00 0.00 36.38 34.14 1o5p s VAL 19 CO 0.00 -0.22 0.12 -0.75 -0.31 0.00 0.00 175.10 173.94 1o5p s LYS 20 N -3.21 2.60 -0.09 4.82 2.20 0.20 -1.07 119.74 125.19 1o5p s LYS 20 Ca 0.28 -1.22 -0.04 0.00 -0.36 0.00 0.00 55.97 54.63 1o5p s LYS 20 Cb -0.08 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1o5p s LYS 20 CO 0.18 -0.70 0.07 0.54 -0.36 0.00 0.00 175.35 175.08 1o5p s VAL 21 N 1.40 4.86 0.07 4.02 0.11 -0.89 -0.57 120.40 129.39 1o5p s VAL 21 Ca -0.01 -0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 58.96 1o5p s VAL 21 Cb -0.20 -3.10 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 1o5p s VAL 21 CO 0.03 0.58 -0.03 0.00 -3.33 0.00 0.00 175.10 172.35 1o5p s ALA 22 N -0.98 0.68 -0.00 1.54 0.00 0.55 -1.44 121.76 122.10 1o5p s ALA 22 Ca 0.15 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1o5p s ALA 22 Cb -0.12 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 1o5p s ALA 22 CO 0.04 -0.35 -0.07 0.20 0.00 0.00 0.00 175.76 175.58 1o5p s GLY 23 N -2.97 0.32 -0.05 0.00 0.00 0.27 -1.13 107.32 103.76 1o5p s GLY 23 Ca 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 44.72 44.52 1o5p s GLY 23 CO -0.07 -0.25 0.11 0.00 0.00 0.00 0.00 173.10 172.89 1o5p s ALA 24 N -0.18 -0.08 0.00 3.20 0.00 0.72 0.21 121.76 125.63 1o5p s ALA 24 Ca 0.02 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1o5p s ALA 24 Cb -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1o5p s ALA 24 CO -0.00 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1o5p n GLY 25 N 4.61 1.01 3.97 0.00 0.00 -1.00 0.35 105.19 114.12 1o5p n GLY 25 Ca -0.19 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 1o5p n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1o5p s LEU 26 N 0.00 2.91 -0.84 0.99 1.43 -0.76 -1.45 118.68 120.94 1o5p s LEU 26 Ca 0.00 -0.05 -0.26 0.00 -1.03 0.00 0.00 54.13 52.79 1o5p s LEU 26 Cb 0.00 -2.32 -0.19 0.00 0.03 0.00 0.00 46.19 43.71 1o5p s LEU 26 CO 0.00 -1.98 2.52 0.00 0.23 0.00 0.00 176.35 177.12 1o5p n GLN 27 N -3.04 0.33 -1.23 1.70 3.00 -1.26 -4.12 117.38 112.75 1o5p n GLN 27 Ca 0.13 -0.07 -0.18 0.00 -0.01 0.00 0.00 57.00 56.87 1o5p n GLN 27 Cb 0.60 -2.13 -0.10 0.00 0.00 0.00 0.00 30.24 28.61 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 11.92 0.36 0.00 -1.58 0.00 -1.23 -1.28 120.51 128.69 1o5p n ALA 28 Ca 0.57 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.96 1o5p n ALA 28 Cb 0.22 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 16.84 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 5.50 0.51 2.81 0.00 0.00 0.90 -4.82 105.19 110.10 1o5p n GLY 29 Ca 0.34 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.66 -0.37 -0.09 2.61 -4.23 -0.40 -4.88 115.64 107.62 1o5p s THR 30 Ca 0.00 -0.03 -0.40 0.00 -1.18 0.00 0.00 61.69 60.08 1o5p s THR 30 Cb 0.00 -0.64 -0.18 0.00 1.34 0.00 0.00 72.50 73.02 1o5p s THR 30 CO 0.00 -0.13 1.37 0.00 -0.54 0.00 0.00 174.62 175.31 1o5p n ALA 31 N 5.33 -1.74 -2.48 3.99 0.00 -1.26 -2.74 120.51 121.61 1o5p n ALA 31 Ca -0.05 0.52 -0.28 0.00 0.00 0.00 0.00 53.44 53.63 1o5p n ALA 31 Cb 0.50 -1.98 -0.11 0.00 0.00 0.00 0.00 19.45 17.85 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 1.24 2.46 0.29 0.00 2.02 0.17 -4.56 117.35 118.96 1o5p s TYR 32 Ca 0.92 -0.30 0.06 0.00 -0.37 0.00 0.00 57.07 57.38 1o5p s TYR 32 Cb -1.15 -1.25 -0.02 0.00 -0.40 0.00 0.00 41.96 39.13 1o5p s TYR 32 CO 0.58 0.45 0.37 0.34 -1.57 0.00 0.00 175.55 175.73 1o5p s ASP 33 N -2.48 5.98 -0.17 2.29 2.15 0.70 -1.69 116.67 123.45 1o5p s ASP 33 Ca 0.20 -0.13 -0.05 0.00 0.43 0.00 0.00 52.55 53.00 1o5p s ASP 33 Cb -0.09 -1.47 0.08 0.00 -0.30 0.00 0.00 42.92 41.14 1o5p s ASP 33 CO 0.11 -0.23 0.32 0.54 -0.17 0.00 0.00 175.17 175.74 1o5p s VAL 34 N -2.11 -0.51 0.08 1.11 0.11 -0.76 -0.94 120.40 117.38 1o5p s VAL 34 Ca 0.39 0.17 -0.15 0.00 -2.93 0.00 0.00 61.98 59.46 1o5p s VAL 34 Cb -0.09 -0.58 0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1o5p s VAL 34 CO 0.29 0.04 0.70 0.61 -3.33 0.00 0.00 175.10 173.41 1o5p n GLY 35 N 5.36 0.72 3.44 6.54 0.00 -0.92 -0.08 105.19 120.26 1o5p n GLY 35 Ca -0.06 -1.04 -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 -2.03 2.97 0.06 1.61 -2.07 -1.26 -2.58 119.66 116.36 1o5p s GLN 36 Ca 0.16 -1.10 0.05 0.00 -1.82 0.00 0.00 55.36 52.65 1o5p s GLN 36 Cb -0.01 -4.01 -0.03 0.00 -1.09 0.00 0.00 33.01 27.87 1o5p s GLN 36 CO 0.02 -0.81 -0.14 0.00 -1.32 0.00 0.00 175.29 173.04 1o5p s ALA 38 N -1.14 1.74 -0.35 0.00 0.00 -0.74 -1.73 121.76 119.54 1o5p s ALA 38 Ca -0.01 -0.89 -0.17 0.00 0.00 0.00 0.00 51.96 50.89 1o5p s ALA 38 Cb -0.09 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 1o5p s ALA 38 CO 0.02 0.41 0.45 -1.58 0.00 0.00 0.00 175.76 175.06 1o5p s TRP 39 N -0.43 3.19 -0.74 0.00 0.51 -1.26 -1.70 118.94 118.52 1o5p s TRP 39 Ca 0.07 0.04 0.16 0.00 -2.12 0.00 0.00 56.10 54.24 1o5p s TRP 39 Cb -0.09 -2.83 0.56 0.00 -0.81 0.00 0.00 33.47 30.31 1o5p s TRP 39 CO -0.00 -0.52 1.48 1.33 -0.51 0.00 0.00 176.95 178.73 1o5p n VAL 40 N 5.36 1.82 -1.51 4.03 0.24 -0.90 -4.76 118.33 122.61 1o5p n VAL 40 Ca -0.07 -1.37 0.00 0.00 -2.04 0.00 0.00 64.34 60.86 1o5p n VAL 40 Cb 0.49 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 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 0.44 0.00 -4.55 -1.34 9.92 -1.26 -4.95 116.55 114.81 1o5p n ASP 41 Ca 0.21 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 54.11 1o5p n ASP 41 Cb 0.79 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 41.24 1o5p n ASP 41 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1o5p s THR 42 N -2.47 3.45 0.00 -3.53 -4.23 -1.26 -2.87 115.64 104.73 1o5p s THR 42 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 1o5p s THR 42 Cb 0.00 -4.12 0.00 0.00 1.34 0.00 0.00 72.50 69.72 1o5p s THR 42 CO 0.00 -1.08 0.00 0.61 -0.54 0.00 0.00 174.62 173.61 1o5p n GLY 43 N 6.03 0.70 3.14 3.99 0.00 -1.26 -5.04 105.19 112.74 1o5p n GLY 43 Ca 0.24 -0.72 -0.35 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 2.95 -0.34 1.61 1.01 -1.14 -4.98 120.40 117.52 1o5p s VAL 44 Ca 0.00 -1.66 -0.00 0.00 0.00 0.00 0.00 61.98 60.32 1o5p s VAL 44 Cb 0.00 -2.83 0.08 0.00 0.00 0.00 0.00 36.38 33.63 1o5p s VAL 44 CO 0.00 -0.30 0.06 -0.22 0.00 0.00 0.00 175.10 174.64 1o5p s LEU 45 N 1.18 4.46 -0.42 3.92 2.96 -1.26 -2.11 118.68 127.41 1o5p s LEU 45 Ca -0.00 -1.72 -0.16 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 44.80 1o5p s LEU 45 CO -0.03 -0.37 0.39 0.00 -1.32 0.00 0.00 176.35 175.02 1o5p s ALA 46 N 1.12 3.45 0.32 5.97 0.00 -0.69 -3.48 121.76 128.45 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 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1o5p s ALA 46 CO -0.04 -1.56 0.24 0.00 0.00 0.00 0.00 175.76 174.39 1o5p s ASN 48 N -3.93 4.65 0.00 0.00 2.47 -0.89 -0.84 114.94 116.41 1o5p s ASN 48 Ca 0.38 -0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.63 1o5p s ASN 48 Cb -0.06 -1.23 0.00 0.00 -1.45 0.00 0.00 41.25 38.52 1o5p s ASN 48 CO 0.25 0.35 0.51 -0.81 -3.72 0.00 0.00 177.10 173.68 1o5p n PRO 49 N 2.34 0.73 -0.01 0.43 -0.04 -1.26 -3.15 135.00 134.04 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 0.02 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 2.45 -1.43 0.55 0.00 -1.26 -4.52 120.51 116.63 1o5p n ALA 50 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 53.44 52.86 1o5p n ALA 50 Cb 0.25 -0.14 0.01 0.00 0.00 0.00 0.00 19.45 19.57 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 0.19 0.25 -4.56 0.00 5.75 -1.19 -2.54 116.55 114.46 1o5p n ASP 51 Ca 0.03 -1.66 -0.40 0.00 -0.01 0.00 0.00 54.79 52.75 1o5p n ASP 51 Cb 0.13 -0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 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 -0.23 2.47 0.01 2.11 0.08 -1.25 -3.09 117.98 118.08 1o5p s PHE 52 Ca 0.02 -0.70 0.00 0.00 0.12 0.00 0.00 56.93 56.37 1o5p s PHE 52 Cb 0.02 -4.66 0.00 0.00 -0.57 0.00 0.00 43.02 37.80 1o5p s PHE 52 CO 0.00 -1.94 0.00 0.43 -0.10 0.00 0.00 175.22 173.61 1o5p n SER 53 N 9.17 1.25 0.00 1.36 7.64 0.89 -4.93 113.62 129.00 1o5p n SER 53 Ca 0.31 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 59.16 1o5p n SER 53 Cb 0.51 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 -1.77 0.00 -3.74 6.43 2.88 -1.26 -1.83 113.62 114.33 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 0.01 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 -0.60 0.09 0.02 2.46 0.11 -0.68 -4.94 120.40 116.86 1o5p s VAL 55 Ca 0.00 -0.74 -0.07 0.00 -2.93 0.00 0.00 61.98 58.24 1o5p s VAL 55 Cb 0.00 -1.09 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 1o5p s VAL 55 CO 0.00 -0.41 0.28 -0.89 -3.33 0.00 0.00 175.10 170.75 1o5p s THR 56 N -3.16 5.28 -0.36 5.04 2.01 -1.26 0.41 115.64 123.60 1o5p s THR 56 Ca -0.01 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.88 1o5p s THR 56 Cb 0.01 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 1o5p s THR 56 CO -0.07 0.34 1.93 0.00 -0.69 0.00 0.00 174.62 176.13 1o5p s ALA 57 N -1.33 2.65 0.00 7.40 0.00 -1.11 -4.69 121.76 124.69 1o5p s ALA 57 Ca 0.29 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1o5p s ALA 57 Cb -0.13 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 18.90 1o5p s ALA 57 CO 0.17 -2.98 0.00 -0.40 0.00 0.00 0.00 175.76 172.55 1o5p n ASP 58 N 11.33 0.00 -0.11 0.00 5.75 -1.26 0.31 116.55 132.57 1o5p n ASP 58 Ca 0.25 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.98 1o5p n ASP 58 Cb 0.48 0.00 0.01 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 -2.00 0.27 0.00 2.12 0.00 -1.92 -3.15 119.26 114.58 1o5p h ALA 59 Ca 0.00 0.13 -0.33 0.00 0.00 0.00 0.00 54.91 54.71 1o5p h ALA 59 Cb 0.00 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1o5p h ALA 59 CO 0.00 -0.44 -2.26 0.09 0.00 0.00 0.00 179.25 176.64 1o5p n ASN 60 N -5.26 1.63 0.00 0.00 3.02 -1.26 -4.55 115.26 108.84 1o5p n ASN 60 Ca 0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1o5p n ASN 60 Cb 0.20 0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 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 2.23 0.72 3.71 7.41 0.00 -1.19 -1.84 105.19 116.22 1o5p n GLY 61 Ca -0.36 -0.75 -0.35 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 -1.16 6.06 -0.19 1.61 0.01 -1.25 -2.38 113.70 116.39 1o5p s SER 62 Ca 0.00 0.19 -0.04 0.00 1.31 0.00 0.00 55.95 57.41 1o5p s SER 62 Cb 0.00 -2.06 0.06 0.00 0.21 0.00 0.00 66.02 64.24 1o5p s SER 62 CO 0.00 0.18 0.07 0.00 0.41 0.00 0.00 173.24 173.90 1o5p s ALA 63 N 0.36 0.68 -0.14 1.44 0.00 0.13 -4.63 121.76 119.60 1o5p s ALA 63 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1o5p s ALA 63 Cb -0.11 -1.13 0.02 0.00 0.00 0.00 0.00 23.12 21.90 1o5p s ALA 63 CO -0.01 -1.23 -0.12 -1.12 0.00 0.00 0.00 175.76 173.28 1o5p s SER 64 N 2.02 2.57 -0.04 0.00 0.01 -1.26 0.94 113.70 117.94 1o5p s SER 64 Ca 0.02 -0.45 -0.08 0.00 1.31 0.00 0.00 55.95 56.75 1o5p s SER 64 Cb -0.16 -1.08 0.01 0.00 0.21 0.00 0.00 66.02 64.99 1o5p s SER 64 CO -0.11 -0.08 0.18 0.28 0.41 0.00 0.00 173.24 173.92 1o5p s THR 65 N 1.55 0.04 -0.17 1.44 -1.32 -0.52 -4.99 115.64 111.66 1o5p s THR 65 Ca 0.05 -0.31 -0.10 0.00 -1.21 0.00 0.00 61.69 60.12 1o5p s THR 65 Cb -0.13 -0.36 -0.05 0.00 -1.51 0.00 0.00 72.50 70.45 1o5p s THR 65 CO -0.10 -0.17 0.18 -0.94 -2.21 0.00 0.00 174.62 171.38 1o5p s SER 66 N -0.58 6.31 0.27 8.08 1.04 -1.26 -2.10 113.70 125.45 1o5p s SER 66 Ca -0.07 0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.75 1o5p s SER 66 Cb -0.04 -2.11 -0.06 0.00 0.10 0.00 0.00 66.02 63.91 1o5p s SER 66 CO 0.01 0.21 0.04 -1.48 0.98 0.00 0.00 173.24 173.00 1o5p s LEU 67 N 0.07 2.07 -0.23 2.42 0.05 -0.23 -4.91 118.68 117.92 1o5p s LEU 67 Ca 0.12 -1.30 -0.11 0.00 0.05 0.00 0.00 54.13 52.88 1o5p s LEU 67 Cb -0.12 -0.25 -0.05 0.00 -2.05 0.00 0.00 46.19 43.73 1o5p s LEU 67 CO 0.01 -0.58 0.19 0.42 -0.55 0.00 0.00 176.35 175.83 1o5p s THR 68 N -3.45 5.35 0.01 5.48 -4.23 -1.05 0.50 115.64 118.24 1o5p s THR 68 Ca 0.33 0.24 0.01 0.00 -1.18 0.00 0.00 61.69 61.09 1o5p s THR 68 Cb 0.07 -3.52 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 1o5p s THR 68 CO 0.12 0.34 -0.04 0.68 -0.54 0.00 0.00 174.62 175.18 1o5p s VAL 69 N 1.02 0.27 0.03 2.29 -7.23 -0.88 -4.07 120.40 111.84 1o5p s VAL 69 Ca 0.09 -0.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 1o5p s VAL 69 Cb -0.13 -0.28 -0.00 0.00 0.56 0.00 0.00 36.38 36.52 1o5p s VAL 69 CO 0.04 -0.09 0.04 -2.11 -0.31 0.00 0.00 175.10 172.68 1o5p n ARG 70 N 2.55 0.06 0.00 4.82 1.85 -1.26 -4.27 116.66 120.41 1o5p n ARG 70 Ca -0.16 -0.28 0.00 0.00 -1.00 0.00 0.00 57.85 56.41 1o5p n ARG 70 Cb 0.58 0.26 0.00 0.00 -1.05 0.00 0.00 32.46 32.25 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 -0.06 0.00 -1.68 2.89 1.85 -1.26 -4.59 116.66 113.80 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 0.06 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.47 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 2.49 -3.63 2.89 7.64 -1.26 -1.99 113.62 119.76 1o5p n SER 72 Ca 0.00 1.17 -0.11 0.00 1.01 0.00 0.00 58.87 60.94 1o5p n SER 72 Cb 0.00 -1.47 -0.07 0.00 -1.01 0.00 0.00 64.21 61.67 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 -1.14 -0.78 -0.27 1.43 -0.71 -0.61 -4.81 117.98 111.09 1o5p s PHE 73 Ca 0.58 1.79 -0.30 0.00 -1.04 0.00 0.00 56.93 57.95 1o5p s PHE 73 Cb -0.56 0.37 -0.13 0.00 -1.21 0.00 0.00 43.02 41.49 1o5p s PHE 73 CO 0.61 -0.38 0.99 0.39 -1.34 0.00 0.00 175.22 175.48 1o5p n GLU 74 N 3.03 0.00 -1.18 1.99 -0.58 -1.26 -1.49 120.64 121.15 1o5p n GLU 74 Ca -0.15 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.37 1o5p n GLU 74 Cb 0.56 -0.98 -0.01 0.00 -0.57 0.00 0.00 31.44 30.44 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 2.34 4.23 3.02 0.62 0.00 -0.24 -2.67 105.19 112.50 1o5p n GLY 75 Ca 0.19 -1.50 -0.55 0.00 0.00 0.00 0.00 46.02 44.16 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 0.62 1.18 -3.00 1.61 3.01 -0.02 -2.24 117.46 118.62 1o5p n PHE 76 Ca 0.40 0.78 -0.40 0.00 1.01 0.00 0.00 57.45 59.23 1o5p n PHE 76 Cb 0.58 -2.03 -0.05 0.00 -0.01 0.00 0.00 39.48 37.97 1o5p n PHE 76 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1o5p s LEU 77 N 4.67 4.25 -0.26 4.37 2.96 -0.68 -1.92 118.68 132.07 1o5p s LEU 77 Ca 1.04 1.14 -0.02 0.00 -0.22 0.00 0.00 54.13 56.07 1o5p s LEU 77 Cb -1.34 -3.11 -0.02 0.00 0.50 0.00 0.00 46.19 42.21 1o5p s LEU 77 CO 0.63 -0.23 1.33 0.33 -1.32 0.00 0.00 176.35 177.09 1o5p n PHE 78 N 4.44 0.39 -1.92 5.38 7.35 -1.23 -2.87 117.46 129.01 1o5p n PHE 78 Ca 0.01 -0.88 0.00 0.00 -0.76 0.00 0.00 57.45 55.82 1o5p n PHE 78 Cb 0.50 -0.91 0.00 0.00 0.35 0.00 0.00 39.48 39.42 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 4.42 0.00 0.00 -2.13 -0.08 -1.26 -4.98 116.55 112.52 1o5p n ASP 79 Ca 0.14 -0.92 0.00 0.00 -1.51 0.00 0.00 54.79 52.50 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 2.78 3.92 0.27 0.00 -1.14 -4.99 105.19 106.03 1o5p n GLY 80 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.00 5.04 -0.15 2.61 -4.23 -1.26 -4.96 115.64 111.69 1o5p s THR 81 Ca 0.00 -0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.35 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 -0.46 0.05 0.00 -0.54 0.00 0.00 174.62 173.67 1o5p s ARG 82 N -3.95 3.68 0.37 3.99 1.70 -1.26 -1.68 118.95 121.80 1o5p s ARG 82 Ca 0.43 -0.35 0.24 0.00 -0.47 0.00 0.00 55.73 55.58 1o5p s ARG 82 Cb -0.10 -3.10 0.39 0.00 -0.57 0.00 0.00 34.95 31.57 1o5p s ARG 82 CO 0.34 0.42 1.57 2.35 -1.08 0.00 0.00 175.30 178.90 1o5p h TRP 83 N 6.17 0.00 0.00 5.89 7.01 -1.77 -3.46 115.95 129.79 1o5p h TRP 83 Ca -0.41 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.59 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 0.59 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.65 1o5p n GLY 84 N 1.15 1.65 3.58 2.65 0.00 -1.26 -4.90 105.19 108.06 1o5p n GLY 84 Ca 0.04 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.64 3.23 -0.55 2.61 -4.23 -1.26 -1.08 115.64 112.71 1o5p s THR 85 Ca 0.00 0.21 -0.28 0.00 -1.18 0.00 0.00 61.69 60.44 1o5p s THR 85 Cb 0.00 -3.37 0.02 0.00 1.34 0.00 0.00 72.50 70.49 1o5p s THR 85 CO 0.00 -0.28 1.31 -0.69 -0.54 0.00 0.00 174.62 174.42 1o5p s VAL 86 N 8.59 3.91 -0.27 2.29 1.01 -0.56 -4.68 120.40 130.69 1o5p s VAL 86 Ca 0.88 0.81 -0.28 0.00 0.00 0.00 0.00 61.98 63.39 1o5p s VAL 86 Cb -0.23 -4.55 -0.03 0.00 0.00 0.00 0.00 36.38 31.57 1o5p s VAL 86 CO 0.31 -1.20 1.91 -1.81 0.00 0.00 0.00 175.10 174.31 1o5p s ASP 87 N 3.68 5.84 0.00 3.32 1.11 -1.26 -1.58 116.67 127.79 1o5p s ASP 87 Ca 0.49 1.58 0.04 0.00 0.18 0.00 0.00 52.55 54.83 1o5p s ASP 87 Cb -0.09 -2.52 0.19 0.00 1.07 0.00 0.00 42.92 41.56 1o5p s ASP 87 CO 0.26 -1.70 0.96 0.00 1.18 0.00 0.00 175.17 175.87 1o5p n THR 89 N -1.30 0.00 -0.06 0.00 -2.24 -1.26 -4.13 114.28 105.29 1o5p n THR 89 Ca 0.02 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 1o5p n THR 89 Cb 0.03 0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.41 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 -0.32 0.69 -3.61 4.28 -2.24 0.01 -5.06 114.28 108.03 1o5p n THR 90 Ca 0.19 -0.18 -0.23 0.00 -2.27 0.00 0.00 64.05 61.56 1o5p n THR 90 Cb 0.29 -1.64 0.02 0.00 -2.10 0.00 0.00 70.33 66.90 1o5p n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o5p n ALA 91 N -3.53 0.92 -2.85 6.98 0.00 -1.19 -5.09 120.51 115.75 1o5p n ALA 91 Ca -0.25 -2.07 -0.39 0.00 0.00 0.00 0.00 53.44 50.74 1o5p n ALA 91 Cb 0.68 0.77 -0.12 0.00 0.00 0.00 0.00 19.45 20.78 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 -2.72 3.29 -0.25 0.00 0.00 -1.26 -4.72 121.76 116.10 1o5p s ALA 92 Ca 0.38 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 1o5p s ALA 92 Cb -0.03 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1o5p s ALA 92 CO 0.24 -0.93 0.31 0.00 0.00 0.00 0.00 175.76 175.39 1o5p s GLN 94 N 1.62 3.13 -0.37 0.00 -0.21 -0.70 -2.56 119.66 120.57 1o5p s GLN 94 Ca 0.14 -0.52 -0.11 0.00 0.02 0.00 0.00 55.36 54.89 1o5p s GLN 94 Cb -0.15 -2.88 0.02 0.00 1.00 0.00 0.00 33.01 31.00 1o5p s GLN 94 CO 0.08 0.62 0.20 0.08 -2.12 0.00 0.00 175.29 174.15 1o5p s VAL 95 N -1.33 4.62 0.10 1.09 1.01 0.14 -2.21 120.40 123.81 1o5p s VAL 95 Ca 0.28 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1o5p s VAL 95 Cb -0.12 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1o5p s VAL 95 CO 0.20 -0.19 0.14 0.61 0.00 0.00 0.00 175.10 175.86 1o5p n GLY 96 N 5.00 2.82 3.50 4.51 0.00 -1.07 0.25 105.19 120.20 1o5p n GLY 96 Ca -0.12 -1.43 -0.27 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.65 0.99 4.32 -1.25 -2.17 117.00 115.24 1o5p n LEU 97 Ca 0.00 -2.82 -0.03 0.00 -0.02 0.00 0.00 56.01 53.14 1o5p n LEU 97 Cb 0.16 0.13 -0.01 0.00 -1.62 0.00 0.00 43.42 42.08 1o5p n LEU 97 CO 0.08 -0.50 0.87 -0.94 -1.22 0.00 0.00 177.39 175.67 1o5p s SER 98 N -3.84 -0.16 -0.01 -1.43 1.04 -0.12 -4.37 113.70 104.81 1o5p s SER 98 Ca 0.16 -0.20 0.19 0.00 0.48 0.00 0.00 55.95 56.58 1o5p s SER 98 Cb -0.01 0.32 -0.23 0.00 0.10 0.00 0.00 66.02 66.19 1o5p s SER 98 CO 0.10 -0.57 0.69 0.47 0.98 0.00 0.00 173.24 174.92 1o5p n ASP 99 N -0.39 0.80 -0.91 7.02 8.00 -1.23 0.25 116.55 130.09 1o5p n ASP 99 Ca -0.06 -0.68 -0.05 0.00 0.71 0.00 0.00 54.79 54.71 1o5p n ASP 99 Cb 0.61 1.25 0.01 0.00 -0.02 0.00 0.00 41.12 42.97 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 -1.65 -0.22 0.00 2.24 0.00 -1.26 -4.74 120.51 114.88 1o5p n ALA 100 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1o5p n ALA 100 Cb 0.35 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.35 1.47 0.00 0.00 0.00 -1.26 -5.03 120.51 113.33 1o5p n ALA 101 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1o5p n ALA 101 Cb 0.52 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 1.35 0.00 3.32 0.00 0.00 -1.26 -5.15 105.19 103.45 1o5p n GLY 102 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.93 -2.02 -0.71 1.61 5.03 -1.26 -5.06 115.26 111.91 1o5p n ASN 103 Ca 0.00 -2.42 0.00 0.00 0.87 0.00 0.00 54.58 53.03 1o5p n ASN 103 Cb 0.00 3.37 0.00 0.00 -1.02 0.00 0.00 39.78 42.13 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 -0.47 0.87 2.89 7.41 0.00 -1.26 -3.48 105.19 111.15 1o5p n GLY 104 Ca -0.08 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.40 -2.68 1.61 -0.01 -1.26 -4.94 135.00 126.31 1o5p n PRO 105 Ca 0.00 -0.42 -0.22 0.00 -0.01 0.00 0.00 63.50 62.86 1o5p n PRO 105 Cb 0.00 -1.27 0.07 0.00 -0.01 0.00 0.00 33.50 32.29 1o5p n PRO 105 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 175.50 173.66 1o5p s GLU 106 N -2.88 2.11 0.32 -0.52 -1.05 -1.26 -4.68 118.70 110.74 1o5p s GLU 106 Ca 0.20 -1.08 0.09 0.00 -0.15 0.00 0.00 54.97 54.04 1o5p s GLU 106 Cb -0.03 -2.45 -0.05 0.00 -0.44 0.00 0.00 34.13 31.16 1o5p s GLU 106 CO 0.18 -1.06 0.01 0.20 0.95 0.00 0.00 175.26 175.53 1o5p s GLY 107 N -4.60 1.94 -0.18 -3.83 0.00 -1.26 -3.88 107.32 95.50 1o5p s GLY 107 Ca 0.62 -1.86 -0.07 0.00 0.00 0.00 0.00 44.72 43.41 1o5p s GLY 107 CO 0.41 -1.85 0.04 0.14 0.00 0.00 0.00 173.10 171.84 1o5p s VAL 108 N -2.46 4.56 -0.09 1.40 1.01 0.14 -4.77 120.40 120.19 1o5p s VAL 108 Ca 0.34 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 1o5p s VAL 108 Cb -0.02 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1o5p s VAL 108 CO 0.19 0.46 1.29 0.00 0.00 0.00 0.00 175.10 177.04 1o5p s ALA 109 N 0.44 3.58 0.46 5.51 0.00 -1.26 0.24 121.76 130.73 1o5p s ALA 109 Ca 0.02 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.65 1o5p s ALA 109 Cb -0.13 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.42 1o5p s ALA 109 CO 0.01 -0.99 0.63 0.96 0.00 0.00 0.00 175.76 176.37 1o5p s ILE 110 N 2.87 2.92 0.04 0.00 -4.36 -1.06 -4.82 121.20 116.79 1o5p s ILE 110 Ca 0.58 -0.90 -0.01 0.00 -0.26 0.00 0.00 60.65 60.07 1o5p s ILE 110 Cb -0.25 -3.01 -0.03 0.00 1.25 0.00 0.00 42.46 40.42 1o5p s ILE 110 CO 0.20 -0.01 -0.03 -0.55 0.24 0.00 0.00 174.94 174.80 1o5p s SER 111 N -4.37 0.37 -0.44 4.36 0.15 0.17 -4.74 113.70 109.21 1o5p s SER 111 Ca 0.55 -0.77 0.02 0.00 0.70 0.00 0.00 55.95 56.46 1o5p s SER 111 Cb -0.10 0.15 0.14 0.00 -1.71 0.00 0.00 66.02 64.51 1o5p s SER 111 CO 0.35 -0.46 0.26 -0.36 1.20 0.00 0.00 173.24 174.22 1o5p s PHE 112 N -2.79 1.77 -1.33 3.44 0.08 -1.26 -2.93 117.98 114.96 1o5p s PHE 112 Ca -0.04 -2.33 0.00 0.00 0.12 0.00 0.00 56.93 54.69 1o5p s PHE 112 Cb -0.00 -1.67 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 1o5p s PHE 112 CO -0.06 -0.78 0.33 0.27 -0.10 0.00 0.00 175.22 174.88