#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 0.83 0.00 0.00 -1.26 -4.94 121.76 119.89 1o5p s ALA 2 Ca 0.00 -0.86 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 1o5p s ALA 2 Cb 0.00 -2.40 0.10 0.00 0.00 0.00 0.00 23.12 20.81 1o5p s ALA 2 CO 0.00 -0.65 1.19 -2.14 0.00 0.00 0.00 175.76 174.16 1o5p s PRO 3 N -4.82 1.50 0.10 0.00 0.02 0.04 -4.56 135.00 127.28 1o5p s PRO 3 Ca 0.52 1.70 -0.09 0.00 0.02 0.00 0.00 61.00 63.15 1o5p s PRO 3 Cb -0.10 -1.77 -0.00 0.00 0.02 0.00 0.00 34.50 32.65 1o5p s PRO 3 CO 0.42 -2.31 0.20 0.95 -0.33 0.00 0.00 177.00 175.93 1o5p s THR 4 N -2.28 0.13 -0.15 0.99 -4.23 1.14 -4.88 115.64 106.37 1o5p s THR 4 Ca 0.71 -1.21 -0.06 0.00 -1.18 0.00 0.00 61.69 59.96 1o5p s THR 4 Cb -0.27 -1.40 0.07 0.00 1.34 0.00 0.00 72.50 72.24 1o5p s THR 4 CO 0.52 -0.61 0.31 0.00 -0.54 0.00 0.00 174.62 174.31 1o5p s ALA 5 N -3.87 -0.75 -0.30 3.99 0.00 -1.26 0.27 121.76 119.84 1o5p s ALA 5 Ca 0.06 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.16 1o5p s ALA 5 Cb 0.05 -1.03 0.06 0.00 0.00 0.00 0.00 23.12 22.19 1o5p s ALA 5 CO -0.10 -0.57 -0.01 -0.08 0.00 0.00 0.00 175.76 175.00 1o5p s THR 6 N 2.20 2.81 -0.10 0.00 -1.32 -0.35 -4.86 115.64 114.03 1o5p s THR 6 Ca -0.02 -1.50 0.02 0.00 -1.21 0.00 0.00 61.69 58.98 1o5p s THR 6 Cb -0.11 -2.65 -0.02 0.00 -1.51 0.00 0.00 72.50 68.21 1o5p s THR 6 CO -0.10 -0.13 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.34 1o5p s VAL 7 N 1.20 2.94 -0.16 5.08 1.01 -1.26 -0.39 120.40 128.82 1o5p s VAL 7 Ca -0.05 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 1o5p s VAL 7 Cb -0.20 -2.19 0.13 0.00 0.00 0.00 0.00 36.38 34.12 1o5p s VAL 7 CO -0.02 0.55 1.01 -0.89 0.00 0.00 0.00 175.10 175.75 1o5p s THR 8 N -0.05 0.00 0.59 3.92 2.01 -0.14 -4.46 115.64 117.52 1o5p s THR 8 Ca -0.03 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.81 1o5p s THR 8 Cb -0.14 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 1o5p s THR 8 CO 0.04 0.00 1.05 -2.16 -0.69 0.00 0.00 174.62 172.86 1o5p s PRO 9 N -1.13 3.38 -0.02 4.92 0.05 -1.26 -0.57 135.00 140.37 1o5p s PRO 9 Ca -0.01 1.13 0.22 0.00 0.05 0.00 0.00 61.00 62.39 1o5p s PRO 9 Cb -0.00 -2.05 -0.33 0.00 0.05 0.00 0.00 34.50 32.18 1o5p s PRO 9 CO 0.01 -0.75 0.51 0.43 0.05 0.00 0.00 177.00 177.25 1o5p n SER 10 N -2.09 0.05 -4.16 6.66 7.64 -1.26 -4.72 113.62 115.74 1o5p n SER 10 Ca 0.08 -0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.85 1o5p n SER 10 Cb 0.53 1.93 -0.10 0.00 -1.01 0.00 0.00 64.21 65.55 1o5p n SER 10 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1o5p s SER 11 N -4.53 1.08 -0.19 6.43 0.01 -1.26 0.86 113.70 116.10 1o5p s SER 11 Ca -0.07 -0.96 -0.01 0.00 1.31 0.00 0.00 55.95 56.21 1o5p s SER 11 Cb 0.14 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1o5p s SER 11 CO 0.90 -0.45 0.12 0.61 0.41 0.00 0.00 173.24 174.84 1o5p n GLY 12 N 0.10 0.65 0.12 3.44 0.00 -1.10 -4.91 105.19 103.50 1o5p n GLY 12 Ca -0.13 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 1o5p n GLY 12 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1o5p h LEU 13 N -0.28 0.25 -0.59 0.99 3.38 -1.89 -3.51 115.31 113.67 1o5p h LEU 13 Ca -0.07 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1o5p h LEU 13 Cb 1.05 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1o5p h LEU 13 CO 0.07 1.70 -0.60 -0.24 0.09 0.00 0.00 178.44 179.46 1o5p n SER 14 N -3.90 -5.68 -4.48 -0.43 2.88 -1.26 -3.80 113.62 96.94 1o5p n SER 14 Ca -0.31 0.97 -0.45 0.00 -1.33 0.00 0.00 58.87 57.75 1o5p n SER 14 Cb 0.89 -2.80 -0.08 0.00 -0.75 0.00 0.00 64.21 61.47 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 -1.48 1.75 0.00 -3.46 5.75 -1.26 -1.97 116.55 115.88 1o5p n ASP 15 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 1o5p n ASP 15 Cb 0.13 -1.27 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 6.40 1.59 1.41 6.12 0.00 -1.26 -5.05 105.19 114.40 1o5p n GLY 16 Ca 0.46 0.00 -0.08 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 -0.40 0.00 -4.72 2.61 5.66 -0.83 -4.96 114.28 111.64 1o5p n THR 17 Ca 0.00 -0.75 -0.24 0.00 -3.05 0.00 0.00 64.05 60.01 1o5p n THR 17 Cb 0.00 -0.60 -0.16 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 -0.62 1.26 0.17 1.08 1.01 -1.26 -2.02 120.40 120.02 1o5p s VAL 18 Ca 0.17 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.60 1o5p s VAL 18 Cb -0.01 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1o5p s VAL 18 CO 0.11 0.37 -0.01 0.68 0.00 0.00 0.00 175.10 176.25 1o5p s VAL 19 N 0.02 3.67 -0.34 2.92 -7.23 0.19 -4.70 120.40 114.93 1o5p s VAL 19 Ca -0.02 -1.45 -0.06 0.00 -1.81 0.00 0.00 61.98 58.64 1o5p s VAL 19 Cb -0.10 -2.84 0.05 0.00 0.56 0.00 0.00 36.38 34.04 1o5p s VAL 19 CO 0.01 -0.11 0.10 -0.75 -0.31 0.00 0.00 175.10 174.05 1o5p s LYS 20 N -2.93 2.57 -0.12 4.82 2.20 0.27 -1.02 119.74 125.53 1o5p s LYS 20 Ca 0.27 -1.23 -0.06 0.00 -0.36 0.00 0.00 55.97 54.58 1o5p s LYS 20 Cb -0.09 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1o5p s LYS 20 CO 0.18 -0.69 0.11 0.54 -0.36 0.00 0.00 175.35 175.13 1o5p s VAL 21 N 1.37 5.28 0.15 4.02 0.11 -0.86 -0.97 120.40 129.51 1o5p s VAL 21 Ca -0.02 0.13 0.03 0.00 -2.93 0.00 0.00 61.98 59.18 1o5p s VAL 21 Cb -0.20 -3.30 -0.05 0.00 -1.53 0.00 0.00 36.38 31.31 1o5p s VAL 21 CO 0.02 0.60 -0.04 0.00 -3.33 0.00 0.00 175.10 172.35 1o5p s ALA 22 N -0.89 1.32 -0.00 1.54 0.00 0.47 -1.77 121.76 122.43 1o5p s ALA 22 Ca 0.14 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.59 1o5p s ALA 22 Cb -0.12 0.33 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 1o5p s ALA 22 CO 0.03 -0.24 -0.04 0.20 0.00 0.00 0.00 175.76 175.71 1o5p s GLY 23 N -3.15 0.22 -0.07 0.00 0.00 0.23 -1.21 107.32 103.34 1o5p s GLY 23 Ca 0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 44.72 44.68 1o5p s GLY 23 CO 0.01 -0.18 0.14 0.00 0.00 0.00 0.00 173.10 173.08 1o5p s ALA 24 N -0.15 -0.16 0.00 3.20 0.00 0.76 0.19 121.76 125.60 1o5p s ALA 24 Ca 0.01 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1o5p s ALA 24 Cb -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1o5p s ALA 24 CO -0.00 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1o5p n GLY 25 N 4.77 1.08 3.96 0.00 0.00 -1.03 0.36 105.19 114.34 1o5p n GLY 25 Ca -0.15 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 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 3.03 -0.88 0.99 1.43 -0.41 -0.78 118.68 122.07 1o5p s LEU 26 Ca 0.00 0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 52.89 1o5p s LEU 26 Cb 0.00 -2.75 -0.19 0.00 0.03 0.00 0.00 46.19 43.28 1o5p s LEU 26 CO 0.00 -1.51 2.61 0.00 0.23 0.00 0.00 176.35 177.69 1o5p n GLN 27 N -2.70 0.25 -1.23 1.70 3.00 -1.26 -4.01 117.38 113.13 1o5p n GLN 27 Ca 0.10 -0.01 -0.20 0.00 -0.01 0.00 0.00 57.00 56.87 1o5p n GLN 27 Cb 0.60 -1.97 -0.11 0.00 0.00 0.00 0.00 30.24 28.77 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 11.73 0.37 0.00 -1.58 0.00 -1.25 -1.32 120.51 128.46 1o5p n ALA 28 Ca 0.59 -2.18 0.00 0.00 0.00 0.00 0.00 53.44 51.85 1o5p n ALA 28 Cb 0.16 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.53 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 5.60 0.25 2.63 0.00 0.00 1.06 -4.81 105.19 109.92 1o5p n GLY 29 Ca 0.37 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.31 -0.15 -0.36 2.61 -4.23 -0.43 -4.88 115.64 107.89 1o5p s THR 30 Ca 0.00 -0.30 -0.35 0.00 -1.18 0.00 0.00 61.69 59.86 1o5p s THR 30 Cb 0.00 -0.70 -0.11 0.00 1.34 0.00 0.00 72.50 73.02 1o5p s THR 30 CO 0.00 -0.37 2.20 0.00 -0.54 0.00 0.00 174.62 175.90 1o5p n ALA 31 N 5.28 1.06 -2.82 3.99 0.00 -1.26 -2.73 120.51 124.03 1o5p n ALA 31 Ca -0.06 -0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.07 1o5p n ALA 31 Cb 0.47 -2.55 -0.05 0.00 0.00 0.00 0.00 19.45 17.33 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 7.37 3.15 0.38 0.00 1.51 0.15 -4.41 117.35 125.49 1o5p s TYR 32 Ca 1.10 -0.06 0.07 0.00 -1.01 0.00 0.00 57.07 57.17 1o5p s TYR 32 Cb -0.86 -1.46 -0.00 0.00 -0.11 0.00 0.00 41.96 39.52 1o5p s TYR 32 CO 0.49 0.52 0.51 0.34 -1.11 0.00 0.00 175.55 176.29 1o5p s ASP 33 N -3.49 5.78 -0.15 2.29 2.15 0.61 -1.31 116.67 122.55 1o5p s ASP 33 Ca 0.32 -0.32 -0.05 0.00 0.43 0.00 0.00 52.55 52.93 1o5p s ASP 33 Cb -0.09 -0.94 0.07 0.00 -0.30 0.00 0.00 42.92 41.66 1o5p s ASP 33 CO 0.24 -0.58 0.30 0.54 -0.17 0.00 0.00 175.17 175.50 1o5p s VAL 34 N -2.27 -0.47 0.08 1.11 0.11 -0.37 -1.11 120.40 117.47 1o5p s VAL 34 Ca 0.49 0.24 -0.16 0.00 -2.93 0.00 0.00 61.98 59.62 1o5p s VAL 34 Cb -0.09 -0.51 0.06 0.00 -1.53 0.00 0.00 36.38 34.31 1o5p s VAL 34 CO 0.32 0.10 0.76 0.61 -3.33 0.00 0.00 175.10 173.55 1o5p n GLY 35 N 5.36 0.67 3.42 6.54 0.00 -0.92 -0.18 105.19 120.08 1o5p n GLY 35 Ca -0.07 -1.05 -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 2.94 0.06 1.61 -2.07 -1.26 -2.56 119.66 116.36 1o5p s GLN 36 Ca 0.17 -1.15 0.05 0.00 -1.82 0.00 0.00 55.36 52.62 1o5p s GLN 36 Cb -0.01 -4.00 -0.03 0.00 -1.09 0.00 0.00 33.01 27.88 1o5p s GLN 36 CO 0.02 -0.84 -0.15 0.00 -1.32 0.00 0.00 175.29 173.01 1o5p s ALA 38 N -1.10 1.70 -0.35 0.00 0.00 -0.81 -1.67 121.76 119.53 1o5p s ALA 38 Ca -0.00 -0.88 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 1o5p s ALA 38 Cb -0.09 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1o5p s ALA 38 CO 0.02 0.41 0.45 -1.58 0.00 0.00 0.00 175.76 175.07 1o5p s TRP 39 N -0.46 3.19 -0.73 0.00 0.51 -1.26 -1.86 118.94 118.33 1o5p s TRP 39 Ca 0.07 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 0.57 0.00 -0.81 0.00 0.00 33.47 30.33 1o5p s TRP 39 CO -0.01 -0.50 1.48 1.33 -0.51 0.00 0.00 176.95 178.75 1o5p n VAL 40 N 5.35 1.83 -1.09 4.03 0.24 -0.90 -4.76 118.33 123.03 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 0.45 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 112.89 1o5p n ASP 41 Ca 0.21 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.37 1o5p n ASP 41 Cb 0.80 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.86 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 -2.33 3.38 0.00 -3.53 -1.32 -1.26 -2.76 115.64 107.82 1o5p s THR 42 Ca 0.00 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1o5p s THR 42 Cb 0.00 -3.96 0.00 0.00 -1.51 0.00 0.00 72.50 67.03 1o5p s THR 42 CO 0.00 -0.92 0.00 0.61 -2.21 0.00 0.00 174.62 172.10 1o5p n GLY 43 N 6.08 0.67 3.12 6.08 0.00 -1.26 -5.04 105.19 114.83 1o5p n GLY 43 Ca 0.27 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 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 2.78 -0.33 1.61 1.01 -1.11 -4.99 120.40 117.36 1o5p s VAL 44 Ca 0.00 -1.72 0.01 0.00 0.00 0.00 0.00 61.98 60.27 1o5p s VAL 44 Cb 0.00 -2.74 0.08 0.00 0.00 0.00 0.00 36.38 33.72 1o5p s VAL 44 CO 0.00 -0.29 0.04 -0.22 0.00 0.00 0.00 175.10 174.64 1o5p s LEU 45 N 1.15 4.39 -0.42 3.92 2.96 -1.26 -2.12 118.68 127.29 1o5p s LEU 45 Ca -0.01 -1.74 -0.16 0.00 -0.22 0.00 0.00 54.13 52.00 1o5p s LEU 45 Cb -0.20 -1.68 0.03 0.00 0.50 0.00 0.00 46.19 44.83 1o5p s LEU 45 CO -0.04 -0.35 0.38 0.00 -1.32 0.00 0.00 176.35 175.03 1o5p s ALA 46 N 1.09 3.46 0.35 5.97 0.00 -0.78 -3.51 121.76 128.35 1o5p s ALA 46 Ca 0.02 -1.65 0.07 0.00 0.00 0.00 0.00 51.96 50.41 1o5p s ALA 46 Cb -0.20 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1o5p s ALA 46 CO -0.05 -1.56 0.31 0.00 0.00 0.00 0.00 175.76 174.47 1o5p s ASN 48 N -4.03 4.97 0.00 0.00 3.84 -0.85 -0.90 114.94 117.97 1o5p s ASN 48 Ca 0.43 -0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.48 1o5p s ASN 48 Cb -0.05 -1.61 0.00 0.00 -0.55 0.00 0.00 41.25 39.04 1o5p s ASN 48 CO 0.27 0.26 0.50 -0.81 -2.79 0.00 0.00 177.10 174.53 1o5p n PRO 49 N 2.92 0.70 0.00 0.43 -0.04 -1.26 -3.09 135.00 134.65 1o5p n PRO 49 Ca -0.18 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.32 1o5p n PRO 49 Cb 0.53 -1.26 0.03 0.00 -0.04 0.00 0.00 33.50 32.75 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 0.37 2.51 -1.66 0.55 0.00 -1.26 -4.49 120.51 116.53 1o5p n ALA 50 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 53.44 52.92 1o5p n ALA 50 Cb 0.25 -0.25 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 0.31 0.41 -4.57 0.00 9.92 -1.18 -2.94 116.55 118.51 1o5p n ASP 51 Ca 0.04 -2.02 -0.39 0.00 -0.53 0.00 0.00 54.79 51.89 1o5p n ASP 51 Cb 0.18 -0.20 -0.02 0.00 -0.64 0.00 0.00 41.12 40.44 1o5p n ASP 51 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1o5p s PHE 52 N -0.46 2.53 0.03 1.24 0.08 -1.25 -3.22 117.98 116.93 1o5p s PHE 52 Ca 0.05 -0.96 0.00 0.00 0.12 0.00 0.00 56.93 56.14 1o5p s PHE 52 Cb 0.04 -4.60 0.00 0.00 -0.57 0.00 0.00 43.02 37.90 1o5p s PHE 52 CO 0.00 -1.77 0.03 0.43 -0.10 0.00 0.00 175.22 173.81 1o5p n SER 53 N 9.67 0.73 0.00 1.36 7.64 0.75 -4.91 113.62 128.86 1o5p n SER 53 Ca 0.43 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 59.21 1o5p n SER 53 Cb 0.48 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 -2.35 0.00 -3.80 6.43 2.88 -1.26 -1.24 113.62 114.28 1o5p n SER 54 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1o5p n SER 54 Cb 0.03 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.42 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 -0.64 0.12 -0.07 2.46 0.11 -0.43 -4.94 120.40 117.02 1o5p s VAL 55 Ca 0.00 -0.99 -0.08 0.00 -2.93 0.00 0.00 61.98 57.99 1o5p s VAL 55 Cb 0.00 -1.23 -0.04 0.00 -1.53 0.00 0.00 36.38 33.58 1o5p s VAL 55 CO 0.00 -0.54 0.21 -0.89 -3.33 0.00 0.00 175.10 170.54 1o5p s THR 56 N -3.62 5.39 -0.34 5.04 2.01 -1.26 0.29 115.64 123.16 1o5p s THR 56 Ca 0.03 0.25 -0.28 0.00 0.31 0.00 0.00 61.69 62.00 1o5p s THR 56 Cb 0.03 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 1o5p s THR 56 CO -0.10 0.53 1.99 0.00 -0.69 0.00 0.00 174.62 176.35 1o5p s ALA 57 N -1.12 2.64 0.00 7.40 0.00 -1.11 -4.69 121.76 124.88 1o5p s ALA 57 Ca 0.20 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.47 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 0.09 -2.97 0.00 -3.47 0.00 0.00 0.00 175.76 169.41 1o5p n ASP 58 N 11.48 0.00 -0.12 0.00 -0.08 -1.26 0.34 116.55 126.91 1o5p n ASP 58 Ca 0.26 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.48 1o5p n ASP 58 Cb 0.47 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.94 1o5p n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1o5p h ALA 59 N -2.00 0.07 0.00 -1.67 0.00 -1.92 -3.05 119.26 110.69 1o5p h ALA 59 Ca 0.00 0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.72 1o5p h ALA 59 Cb 0.00 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1o5p h ALA 59 CO 0.00 -0.58 -2.23 0.09 0.00 0.00 0.00 179.25 176.53 1o5p n ASN 60 N -5.38 0.97 0.00 0.00 5.03 -1.26 -4.53 115.26 110.09 1o5p n ASN 60 Ca 0.02 -0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1o5p n ASN 60 Cb 0.29 0.66 0.00 0.00 -1.02 0.00 0.00 39.78 39.71 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1o5p n GLY 61 N 2.02 0.80 3.74 7.41 0.00 -1.15 -1.28 105.19 116.72 1o5p n GLY 61 Ca -0.31 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.67 6.29 -0.21 1.61 0.01 -1.25 -2.47 113.70 116.02 1o5p s SER 62 Ca 0.00 0.33 -0.03 0.00 1.31 0.00 0.00 55.95 57.57 1o5p s SER 62 Cb 0.00 -2.12 0.06 0.00 0.21 0.00 0.00 66.02 64.18 1o5p s SER 62 CO 0.00 0.17 0.04 0.00 0.41 0.00 0.00 173.24 173.86 1o5p s ALA 63 N 0.29 1.08 -0.19 1.44 0.00 0.13 -4.64 121.76 119.88 1o5p s ALA 63 Ca 0.11 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1o5p s ALA 63 Cb -0.12 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.81 1o5p s ALA 63 CO 0.00 -1.22 -0.13 -1.12 0.00 0.00 0.00 175.76 173.29 1o5p s SER 64 N 1.82 3.23 -0.05 0.00 0.01 -1.26 0.77 113.70 118.22 1o5p s SER 64 Ca -0.00 -0.77 -0.08 0.00 1.31 0.00 0.00 55.95 56.40 1o5p s SER 64 Cb -0.17 -1.30 0.02 0.00 0.21 0.00 0.00 66.02 64.78 1o5p s SER 64 CO -0.10 -0.09 0.21 0.28 0.41 0.00 0.00 173.24 173.95 1o5p s THR 65 N 1.37 0.03 0.01 1.44 -1.32 -0.73 -5.01 115.64 111.44 1o5p s THR 65 Ca 0.01 -0.22 -0.02 0.00 -1.21 0.00 0.00 61.69 60.25 1o5p s THR 65 Cb -0.15 -0.38 -0.04 0.00 -1.51 0.00 0.00 72.50 70.42 1o5p s THR 65 CO -0.10 -0.12 0.20 -0.94 -2.21 0.00 0.00 174.62 171.45 1o5p s SER 66 N -0.42 6.37 0.21 8.08 1.04 -1.26 -2.03 113.70 125.70 1o5p s SER 66 Ca -0.05 0.34 -0.09 0.00 0.48 0.00 0.00 55.95 56.63 1o5p s SER 66 Cb -0.03 -1.99 -0.01 0.00 0.10 0.00 0.00 66.02 64.08 1o5p s SER 66 CO 0.01 0.23 0.33 -1.48 0.98 0.00 0.00 173.24 173.31 1o5p s LEU 67 N -2.12 0.73 -0.26 2.42 0.05 -0.19 -4.95 118.68 114.36 1o5p s LEU 67 Ca 0.30 -1.02 -0.11 0.00 0.05 0.00 0.00 54.13 53.35 1o5p s LEU 67 Cb -0.13 1.24 -0.05 0.00 -2.05 0.00 0.00 46.19 45.21 1o5p s LEU 67 CO 0.22 -0.99 0.18 0.42 -0.55 0.00 0.00 176.35 175.62 1o5p s THR 68 N -4.04 5.30 0.03 5.48 -4.23 -1.15 0.54 115.64 117.57 1o5p s THR 68 Ca 0.25 0.16 0.05 0.00 -1.18 0.00 0.00 61.69 60.97 1o5p s THR 68 Cb 0.02 -3.50 -0.02 0.00 1.34 0.00 0.00 72.50 70.34 1o5p s THR 68 CO 0.07 0.29 -0.15 0.68 -0.54 0.00 0.00 174.62 174.96 1o5p s VAL 69 N 1.50 1.19 0.27 2.29 -7.23 -0.86 -4.33 120.40 113.24 1o5p s VAL 69 Ca 0.07 -0.93 -0.02 0.00 -1.81 0.00 0.00 61.98 59.30 1o5p s VAL 69 Cb -0.15 -1.05 0.01 0.00 0.56 0.00 0.00 36.38 35.75 1o5p s VAL 69 CO 0.08 0.11 0.39 -2.11 -0.31 0.00 0.00 175.10 173.27 1o5p n ARG 70 N 2.10 0.56 0.00 4.82 1.85 -1.26 -4.15 116.66 120.58 1o5p n ARG 70 Ca -0.17 -2.16 0.00 0.00 -1.00 0.00 0.00 57.85 54.52 1o5p n ARG 70 Cb 0.55 2.10 0.00 0.00 -1.05 0.00 0.00 32.46 34.05 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 -0.45 0.00 -1.73 2.89 1.85 -1.26 -4.53 116.66 113.43 1o5p n ARG 71 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.44 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 3.16 -3.63 2.89 7.64 -1.26 -1.85 113.62 120.57 1o5p n SER 72 Ca 0.00 1.20 -0.11 0.00 1.01 0.00 0.00 58.87 60.97 1o5p n SER 72 Cb 0.00 -1.54 -0.07 0.00 -1.01 0.00 0.00 64.21 61.59 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 -1.12 -0.86 -0.30 1.43 -0.71 -0.68 -4.82 117.98 110.91 1o5p s PHE 73 Ca 0.55 1.96 -0.29 0.00 -1.04 0.00 0.00 56.93 58.11 1o5p s PHE 73 Cb -0.52 0.39 -0.12 0.00 -1.21 0.00 0.00 43.02 41.56 1o5p s PHE 73 CO 0.62 -0.42 0.98 0.39 -1.34 0.00 0.00 175.22 175.45 1o5p n GLU 74 N 3.20 0.00 -1.34 1.99 -0.58 -1.26 -1.57 120.64 121.08 1o5p n GLU 74 Ca -0.16 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.33 1o5p n GLU 74 Cb 0.56 -0.92 -0.03 0.00 -0.57 0.00 0.00 31.44 30.48 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 2.43 4.36 3.17 0.62 0.00 -0.34 -2.88 105.19 112.55 1o5p n GLY 75 Ca 0.19 -1.72 -0.58 0.00 0.00 0.00 0.00 46.02 43.91 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 0.66 1.29 -3.06 1.61 3.01 -0.08 -2.22 117.46 118.66 1o5p n PHE 76 Ca 0.45 0.85 -0.40 0.00 1.01 0.00 0.00 57.45 59.36 1o5p n PHE 76 Cb 0.56 -2.08 -0.05 0.00 -0.01 0.00 0.00 39.48 37.89 1o5p n PHE 76 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1o5p s LEU 77 N 4.41 4.22 -0.29 4.37 2.96 -0.71 -1.93 118.68 131.71 1o5p s LEU 77 Ca 1.05 1.02 -0.02 0.00 -0.22 0.00 0.00 54.13 55.96 1o5p s LEU 77 Cb -1.38 -3.01 -0.03 0.00 0.50 0.00 0.00 46.19 42.28 1o5p s LEU 77 CO 0.67 -0.22 1.38 0.33 -1.32 0.00 0.00 176.35 177.18 1o5p n PHE 78 N 4.52 0.43 -2.00 5.38 7.35 -1.23 -2.90 117.46 129.01 1o5p n PHE 78 Ca -0.01 -0.93 0.00 0.00 -0.76 0.00 0.00 57.45 55.75 1o5p n PHE 78 Cb 0.50 -0.95 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 0.16 -1.01 0.00 0.00 -1.51 0.00 0.00 54.79 52.43 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 2.80 3.95 0.27 0.00 -1.14 -4.99 105.19 106.08 1o5p n GLY 80 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.10 4.78 -0.11 2.61 -4.23 -1.26 -4.97 115.64 111.36 1o5p s THR 81 Ca 0.00 -0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 59.91 1o5p s THR 81 Cb 0.00 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 1o5p s THR 81 CO 0.00 -0.45 -0.01 0.00 -0.54 0.00 0.00 174.62 173.62 1o5p s ARG 82 N -4.33 3.23 0.28 3.99 1.70 -1.26 -1.74 118.95 120.82 1o5p s ARG 82 Ca 0.42 -0.45 0.24 0.00 -0.47 0.00 0.00 55.73 55.47 1o5p s ARG 82 Cb -0.10 -2.84 0.42 0.00 -0.57 0.00 0.00 34.95 31.87 1o5p s ARG 82 CO 0.35 0.53 1.52 2.35 -1.08 0.00 0.00 175.30 178.98 1o5p h TRP 83 N 5.73 0.00 0.00 5.89 7.01 -1.77 -3.46 115.95 129.36 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 0.59 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.65 1o5p n GLY 84 N 1.21 1.50 3.58 2.65 0.00 -1.26 -4.89 105.19 107.98 1o5p n GLY 84 Ca 0.04 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 1o5p n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1o5p s THR 85 N -1.60 3.20 -0.56 2.61 -4.23 -1.26 -1.20 115.64 112.60 1o5p s THR 85 Ca 0.00 0.18 -0.28 0.00 -1.18 0.00 0.00 61.69 60.41 1o5p s THR 85 Cb 0.00 -3.34 0.02 0.00 1.34 0.00 0.00 72.50 70.51 1o5p s THR 85 CO 0.00 -0.27 1.37 -0.69 -0.54 0.00 0.00 174.62 174.49 1o5p s VAL 86 N 8.98 3.83 -0.26 2.29 1.01 -0.61 -4.66 120.40 130.99 1o5p s VAL 86 Ca 0.88 0.72 -0.28 0.00 0.00 0.00 0.00 61.98 63.30 1o5p s VAL 86 Cb -0.23 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 1o5p s VAL 86 CO 0.30 -1.19 2.00 -1.81 0.00 0.00 0.00 175.10 174.40 1o5p s ASP 87 N 4.14 5.73 0.00 3.32 1.11 -1.26 -1.69 116.67 128.00 1o5p s ASP 87 Ca 0.51 1.65 0.08 0.00 0.18 0.00 0.00 52.55 54.97 1o5p s ASP 87 Cb -0.10 -2.52 0.40 0.00 1.07 0.00 0.00 42.92 41.77 1o5p s ASP 87 CO 0.25 -1.78 1.07 0.00 1.18 0.00 0.00 175.17 175.89 1o5p n THR 89 N -1.22 0.00 -0.05 0.00 -2.24 -1.26 -4.14 114.28 105.36 1o5p n THR 89 Ca 0.04 -0.15 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 1o5p n THR 89 Cb 0.05 0.16 -0.04 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 -0.35 0.61 -3.39 4.28 -2.24 -0.32 -5.06 114.28 107.81 1o5p n THR 90 Ca 0.19 -0.14 -0.19 0.00 -2.27 0.00 0.00 64.05 61.64 1o5p n THR 90 Cb 0.28 -1.65 0.03 0.00 -2.10 0.00 0.00 70.33 66.89 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 -3.49 0.91 -3.02 6.98 0.00 -1.19 -5.09 120.51 115.60 1o5p n ALA 91 Ca -0.21 -1.83 -0.38 0.00 0.00 0.00 0.00 53.44 51.02 1o5p n ALA 91 Cb 0.64 0.62 -0.12 0.00 0.00 0.00 0.00 19.45 20.58 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 -2.63 3.17 -0.26 0.00 0.00 -1.26 -4.73 121.76 116.06 1o5p s ALA 92 Ca 0.41 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 1o5p s ALA 92 Cb -0.03 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1o5p s ALA 92 CO 0.26 -0.89 0.32 0.00 0.00 0.00 0.00 175.76 175.45 1o5p s GLN 94 N 1.75 3.16 -0.40 0.00 -0.21 -0.67 -2.56 119.66 120.72 1o5p s GLN 94 Ca 0.13 -0.44 -0.13 0.00 0.02 0.00 0.00 55.36 54.94 1o5p s GLN 94 Cb -0.15 -2.92 0.02 0.00 1.00 0.00 0.00 33.01 30.96 1o5p s GLN 94 CO 0.09 0.66 0.27 0.08 -2.12 0.00 0.00 175.29 174.27 1o5p s VAL 95 N -1.21 4.99 0.02 1.09 1.01 0.13 -2.25 120.40 124.18 1o5p s VAL 95 Ca 0.23 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 1o5p s VAL 95 Cb -0.12 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1o5p s VAL 95 CO 0.14 -0.29 0.03 0.61 0.00 0.00 0.00 175.10 175.59 1o5p n GLY 96 N 5.10 3.08 3.87 4.51 0.00 -1.06 0.26 105.19 120.95 1o5p n GLY 96 Ca -0.11 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 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 2.50 0.06 0.99 1.02 -1.24 -2.17 118.68 119.84 1o5p s LEU 97 Ca 0.02 -1.41 -0.28 0.00 0.02 0.00 0.00 54.13 52.48 1o5p s LEU 97 Cb -0.00 -0.99 0.09 0.00 0.02 0.00 0.00 46.19 45.31 1o5p s LEU 97 CO 0.01 -1.09 1.00 -0.94 0.02 0.00 0.00 176.35 175.36 1o5p s SER 98 N -4.19 -0.21 0.00 2.29 1.04 -0.27 -4.32 113.70 108.04 1o5p s SER 98 Ca 0.23 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1o5p s SER 98 Cb -0.02 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1o5p s SER 98 CO 0.15 -0.69 0.00 -0.90 0.98 0.00 0.00 173.24 172.78 1o5p n ASP 99 N -0.38 1.55 -1.52 7.02 5.75 -1.23 0.22 116.55 127.95 1o5p n ASP 99 Ca -0.07 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.58 1o5p n ASP 99 Cb 0.61 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.80 1o5p n ASP 99 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1o5p n ALA 100 N -3.00 4.61 -0.01 2.12 0.00 -1.26 -4.64 120.51 118.33 1o5p n ALA 100 Ca 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 53.44 49.86 1o5p n ALA 100 Cb 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 19.45 19.00 1o5p n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o5p n ALA 101 N -0.88 1.97 0.00 0.00 0.00 -1.26 -5.02 120.51 115.31 1o5p n ALA 101 Ca 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1o5p n ALA 101 Cb 0.88 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.62 1o5p n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o5p n GLY 102 N 3.07 1.02 3.05 0.00 0.00 -1.26 -5.14 105.19 105.93 1o5p n GLY 102 Ca -0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.85 -0.26 1.61 5.03 -1.26 -4.98 115.26 113.54 1o5p n ASN 103 Ca 0.00 -2.31 0.00 0.00 0.87 0.00 0.00 54.58 53.14 1o5p n ASN 103 Cb 0.00 3.08 0.00 0.00 -1.02 0.00 0.00 39.78 41.84 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 -0.44 2.38 2.99 7.41 0.00 -1.26 -3.53 105.19 112.74 1o5p n GLY 104 Ca -0.07 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.53 -2.30 1.61 -0.02 -1.26 -4.90 135.00 126.59 1o5p n PRO 105 Ca 0.00 -0.45 -0.21 0.00 -2.02 0.00 0.00 63.50 60.82 1o5p n PRO 105 Cb 0.00 -1.35 0.11 0.00 -0.02 0.00 0.00 33.50 32.24 1o5p n PRO 105 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1o5p n GLU 106 N -0.62 -0.08 -4.48 -0.52 0.28 -1.26 -4.57 120.64 109.38 1o5p n GLU 106 Ca 0.03 -2.37 -0.26 0.00 -0.16 0.00 0.00 57.16 54.40 1o5p n GLU 106 Cb 0.35 -0.62 -0.10 0.00 1.43 0.00 0.00 31.44 32.51 1o5p n GLU 106 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1o5p s GLY 107 N -4.83 2.18 -0.20 -1.84 0.00 -1.26 -3.69 107.32 97.68 1o5p s GLY 107 Ca 0.59 -2.07 -0.09 0.00 0.00 0.00 0.00 44.72 43.15 1o5p s GLY 107 CO 0.39 -2.00 0.12 0.14 0.00 0.00 0.00 173.10 171.75 1o5p s VAL 108 N -2.59 5.27 -0.00 1.40 1.01 0.14 -4.71 120.40 120.92 1o5p s VAL 108 Ca 0.33 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 1o5p s VAL 108 Cb 0.02 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1o5p s VAL 108 CO 0.18 0.44 1.27 0.00 0.00 0.00 0.00 175.10 176.98 1o5p s ALA 109 N 0.43 3.50 0.60 5.51 0.00 -1.26 0.18 121.76 130.72 1o5p s ALA 109 Ca 0.07 0.78 0.06 0.00 0.00 0.00 0.00 51.96 52.87 1o5p s ALA 109 Cb -0.12 -3.53 0.09 0.00 0.00 0.00 0.00 23.12 19.57 1o5p s ALA 109 CO -0.01 -0.72 0.83 0.96 0.00 0.00 0.00 175.76 176.81 1o5p s ILE 110 N 1.94 2.24 0.01 0.00 -4.36 -1.06 -4.84 121.20 115.13 1o5p s ILE 110 Ca 0.59 -0.87 -0.06 0.00 -0.26 0.00 0.00 60.65 60.05 1o5p s ILE 110 Cb -0.29 -2.37 -0.00 0.00 1.25 0.00 0.00 42.46 41.05 1o5p s ILE 110 CO 0.25 0.00 0.12 -0.44 0.24 0.00 0.00 174.94 175.11 1o5p s SER 111 N -4.65 0.07 -0.40 4.36 0.01 0.25 -4.80 113.70 108.55 1o5p s SER 111 Ca 0.62 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.60 1o5p s SER 111 Cb -0.06 0.20 0.13 0.00 0.21 0.00 0.00 66.02 66.49 1o5p s SER 111 CO 0.40 -0.39 0.19 -0.36 0.41 0.00 0.00 173.24 173.49 1o5p s PHE 112 N -1.64 1.95 -2.68 2.43 0.40 -1.26 -2.72 117.98 114.46 1o5p s PHE 112 Ca -0.13 -2.25 0.27 0.00 -0.60 0.00 0.00 56.93 54.21 1o5p s PHE 112 Cb -0.07 -1.86 0.74 0.00 0.51 0.00 0.00 43.02 42.35 1o5p s PHE 112 CO 0.00 -0.81 1.57 0.27 0.70 0.00 0.00 175.22 176.95