#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 3.84 0.85 0.00 0.00 -1.26 -4.97 121.76 120.22 1o5p s ALA 2 Ca 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 51.96 50.67 1o5p s ALA 2 Cb 0.00 -2.08 0.11 0.00 0.00 0.00 0.00 23.12 21.15 1o5p s ALA 2 CO 0.00 -0.43 1.18 -2.30 0.00 0.00 0.00 175.76 174.21 1o5p n PRO 3 N -2.10 -0.08 -3.86 0.00 -0.02 0.03 -4.58 135.00 124.38 1o5p n PRO 3 Ca 0.03 0.06 -0.09 0.00 -2.02 0.00 0.00 63.50 61.48 1o5p n PRO 3 Cb 0.58 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 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 -2.33 0.13 -0.14 3.45 -4.23 1.11 -4.88 115.64 108.76 1o5p s THR 4 Ca 0.71 -1.19 -0.06 0.00 -1.18 0.00 0.00 61.69 59.97 1o5p s THR 4 Cb -0.27 -1.39 0.07 0.00 1.34 0.00 0.00 72.50 72.25 1o5p s THR 4 CO 0.54 -0.61 0.31 0.00 -0.54 0.00 0.00 174.62 174.32 1o5p s ALA 5 N -3.87 -0.74 -0.30 3.99 0.00 -1.26 0.27 121.76 119.86 1o5p s ALA 5 Ca 0.06 1.13 -0.00 0.00 0.00 0.00 0.00 51.96 53.15 1o5p s ALA 5 Cb 0.05 -1.02 0.06 0.00 0.00 0.00 0.00 23.12 22.20 1o5p s ALA 5 CO -0.10 -0.57 -0.02 -0.08 0.00 0.00 0.00 175.76 175.00 1o5p s THR 6 N 2.20 2.76 -0.09 0.00 -1.32 -0.34 -4.87 115.64 113.99 1o5p s THR 6 Ca -0.02 -1.51 0.01 0.00 -1.21 0.00 0.00 61.69 58.96 1o5p s THR 6 Cb -0.11 -2.62 -0.02 0.00 -1.51 0.00 0.00 72.50 68.23 1o5p s THR 6 CO -0.10 -0.13 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.38 1o5p s VAL 7 N 1.20 3.27 -0.16 5.08 1.01 -1.26 -0.56 120.40 128.98 1o5p s VAL 7 Ca -0.05 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 1o5p s VAL 7 Cb -0.20 -2.33 0.11 0.00 0.00 0.00 0.00 36.38 33.96 1o5p s VAL 7 CO -0.02 0.57 0.93 -0.89 0.00 0.00 0.00 175.10 175.68 1o5p s THR 8 N -0.35 0.00 0.49 3.92 2.01 0.24 -4.36 115.64 117.60 1o5p s THR 8 Ca 0.04 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.85 1o5p s THR 8 Cb -0.13 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.30 1o5p s THR 8 CO 0.02 0.00 1.02 -2.16 -0.69 0.00 0.00 174.62 172.81 1o5p s PRO 9 N -0.88 3.83 0.07 4.92 0.05 -1.26 -0.45 135.00 141.28 1o5p s PRO 9 Ca -0.03 1.24 0.15 0.00 0.05 0.00 0.00 61.00 62.42 1o5p s PRO 9 Cb -0.01 -2.11 -0.13 0.00 0.05 0.00 0.00 34.50 32.30 1o5p s PRO 9 CO 0.02 -0.39 0.89 0.77 0.05 0.00 0.00 177.00 178.35 1o5p h SER 10 N 1.40 0.00 -4.85 6.66 0.02 -1.91 -3.44 113.55 111.43 1o5p h SER 10 Ca -0.49 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.21 1o5p h SER 10 Cb 1.21 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.60 1o5p h SER 10 CO 0.59 0.67 -0.65 -0.44 -1.14 0.00 0.00 176.83 175.86 1o5p s SER 11 N -5.97 0.87 -0.20 3.07 0.01 -1.26 0.53 113.70 110.76 1o5p s SER 11 Ca -0.02 -1.20 -0.01 0.00 1.31 0.00 0.00 55.95 56.03 1o5p s SER 11 Cb 0.08 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.50 1o5p s SER 11 CO 0.81 -0.64 0.12 0.61 0.41 0.00 0.00 173.24 174.55 1o5p n GLY 12 N -0.20 0.64 0.13 3.44 0.00 -1.12 -4.90 105.19 103.18 1o5p n GLY 12 Ca -0.06 -0.60 -0.21 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 -0.94 2.57 -0.90 0.99 4.77 -1.26 -5.05 117.00 117.17 1o5p n LEU 13 Ca -0.01 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1o5p n LEU 13 Cb 0.51 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1o5p n LEU 13 CO 0.08 0.78 -0.26 -0.24 -1.33 0.00 0.00 177.39 176.41 1o5p n SER 14 N -3.61 -5.16 -4.49 -1.43 2.88 -1.26 -3.85 113.62 96.71 1o5p n SER 14 Ca -0.36 0.82 -0.44 0.00 -1.33 0.00 0.00 58.87 57.55 1o5p n SER 14 Cb 0.98 -2.35 -0.08 0.00 -0.75 0.00 0.00 64.21 62.01 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 -1.32 1.73 0.00 -3.46 5.75 -1.26 -1.96 116.55 116.03 1o5p n ASP 15 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.87 1o5p n ASP 15 Cb 0.09 -1.27 0.00 0.00 -1.03 0.00 0.00 41.12 38.91 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 1.58 0.13 6.12 0.00 -1.26 -5.05 105.19 113.10 1o5p n GLY 16 Ca 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.46 0.00 -4.75 2.61 5.66 -0.83 -4.95 114.28 111.55 1o5p n THR 17 Ca 0.00 -0.07 -0.24 0.00 -3.05 0.00 0.00 64.05 60.69 1o5p n THR 17 Cb 0.00 -0.75 -0.16 0.00 -1.55 0.00 0.00 70.33 67.88 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 0.42 1.29 0.20 1.08 1.01 -1.26 -1.97 120.40 121.17 1o5p s VAL 18 Ca 0.02 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1o5p s VAL 18 Cb -0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1o5p s VAL 18 CO 0.01 0.37 0.01 0.68 0.00 0.00 0.00 175.10 176.17 1o5p s VAL 19 N -0.13 3.67 -0.33 2.92 -7.23 0.19 -4.73 120.40 114.75 1o5p s VAL 19 Ca 0.01 -1.56 -0.05 0.00 -1.81 0.00 0.00 61.98 58.57 1o5p s VAL 19 Cb -0.09 -2.88 0.05 0.00 0.56 0.00 0.00 36.38 34.02 1o5p s VAL 19 CO 0.01 -0.19 0.07 -0.75 -0.31 0.00 0.00 175.10 173.93 1o5p s LYS 20 N -3.18 2.53 -0.12 4.82 2.20 0.40 -0.96 119.74 125.44 1o5p s LYS 20 Ca 0.29 -1.24 -0.05 0.00 -0.36 0.00 0.00 55.97 54.60 1o5p s LYS 20 Cb -0.08 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1o5p s LYS 20 CO 0.19 -0.67 0.08 0.54 -0.36 0.00 0.00 175.35 175.13 1o5p s VAL 21 N 1.34 5.00 0.16 4.02 0.11 -0.86 -0.59 120.40 129.57 1o5p s VAL 21 Ca -0.03 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1o5p s VAL 21 Cb -0.20 -3.16 -0.05 0.00 -1.53 0.00 0.00 36.38 31.44 1o5p s VAL 21 CO 0.01 0.60 -0.06 0.00 -3.33 0.00 0.00 175.10 172.31 1o5p s ALA 22 N -0.81 1.44 -0.00 1.54 0.00 0.27 -1.65 121.76 122.56 1o5p s ALA 22 Ca 0.13 -1.54 0.02 0.00 0.00 0.00 0.00 51.96 50.57 1o5p s ALA 22 Cb -0.12 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1o5p s ALA 22 CO 0.03 -0.18 -0.05 0.20 0.00 0.00 0.00 175.76 175.75 1o5p s GLY 23 N -3.18 0.28 -0.06 0.00 0.00 0.23 -1.19 107.32 103.40 1o5p s GLY 23 Ca 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 1o5p s GLY 23 CO 0.02 -0.24 0.12 0.00 0.00 0.00 0.00 173.10 173.00 1o5p s ALA 24 N -0.22 -0.12 0.00 3.20 0.00 0.75 0.19 121.76 125.56 1o5p s ALA 24 Ca 0.01 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1o5p s ALA 24 Cb -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1o5p s ALA 24 CO -0.00 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1o5p n GLY 25 N 4.72 1.05 3.96 0.00 0.00 -1.02 0.36 105.19 114.26 1o5p n GLY 25 Ca -0.16 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 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 3.02 -0.88 0.99 1.43 -0.79 -0.79 118.68 121.66 1o5p s LEU 26 Ca 0.00 0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 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 -1.53 2.60 0.00 0.23 0.00 0.00 176.35 177.65 1o5p n GLN 27 N -2.72 0.25 -1.27 1.70 3.00 -1.26 -4.04 117.38 113.04 1o5p n GLN 27 Ca 0.10 -0.02 -0.17 0.00 -0.01 0.00 0.00 57.00 56.90 1o5p n GLN 27 Cb 0.60 -1.97 -0.10 0.00 0.00 0.00 0.00 30.24 28.78 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 11.67 0.34 0.00 -1.58 0.00 -1.24 -1.23 120.51 128.47 1o5p n ALA 28 Ca 0.59 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.97 1o5p n ALA 28 Cb 0.16 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 16.75 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 5.57 0.46 2.65 0.00 0.00 0.93 -4.83 105.19 109.98 1o5p n GLY 29 Ca 0.34 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.58 -0.18 -0.37 2.61 -4.23 -0.37 -4.88 115.64 107.65 1o5p s THR 30 Ca 0.00 -0.22 -0.36 0.00 -1.18 0.00 0.00 61.69 59.93 1o5p s THR 30 Cb 0.00 -0.66 -0.12 0.00 1.34 0.00 0.00 72.50 73.06 1o5p s THR 30 CO 0.00 -0.31 2.20 0.00 -0.54 0.00 0.00 174.62 175.97 1o5p n ALA 31 N 5.29 1.01 -2.84 3.99 0.00 -1.26 -2.72 120.51 123.97 1o5p n ALA 31 Ca -0.06 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.07 1o5p n ALA 31 Cb 0.48 -2.52 -0.05 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 7.31 3.23 0.34 0.00 1.51 0.15 -4.40 117.35 125.49 1o5p s TYR 32 Ca 1.11 -0.01 0.06 0.00 -1.01 0.00 0.00 57.07 57.22 1o5p s TYR 32 Cb -0.90 -1.53 -0.01 0.00 -0.11 0.00 0.00 41.96 39.42 1o5p s TYR 32 CO 0.50 0.51 0.48 0.34 -1.11 0.00 0.00 175.55 176.27 1o5p s ASP 33 N -3.31 5.96 -0.16 2.29 2.15 0.71 -1.52 116.67 122.78 1o5p s ASP 33 Ca 0.32 -0.17 -0.04 0.00 0.43 0.00 0.00 52.55 53.08 1o5p s ASP 33 Cb -0.10 -1.23 0.08 0.00 -0.30 0.00 0.00 42.92 41.37 1o5p s ASP 33 CO 0.25 -0.45 0.26 0.54 -0.17 0.00 0.00 175.17 175.59 1o5p s VAL 34 N -2.20 -0.40 0.16 1.11 0.11 -0.81 -1.23 120.40 117.14 1o5p s VAL 34 Ca 0.45 0.14 -0.14 0.00 -2.93 0.00 0.00 61.98 59.50 1o5p s VAL 34 Cb -0.10 -0.54 0.05 0.00 -1.53 0.00 0.00 36.38 34.27 1o5p s VAL 34 CO 0.31 0.00 0.69 0.61 -3.33 0.00 0.00 175.10 173.38 1o5p n GLY 35 N 5.34 0.91 3.43 6.54 0.00 -0.91 -0.20 105.19 120.31 1o5p n GLY 35 Ca -0.06 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.04 2.92 0.07 1.61 -2.07 -1.26 -2.55 119.66 116.34 1o5p s GLN 36 Ca 0.15 -1.06 0.05 0.00 -1.82 0.00 0.00 55.36 52.68 1o5p s GLN 36 Cb -0.02 -3.91 -0.03 0.00 -1.09 0.00 0.00 33.01 27.96 1o5p s GLN 36 CO 0.05 -0.75 -0.14 0.00 -1.32 0.00 0.00 175.29 173.13 1o5p s ALA 38 N -1.37 1.65 -0.35 0.00 0.00 -0.74 -1.64 121.76 119.29 1o5p s ALA 38 Ca -0.02 -0.83 -0.17 0.00 0.00 0.00 0.00 51.96 50.94 1o5p s ALA 38 Cb -0.09 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 1o5p s ALA 38 CO 0.02 0.38 0.45 -1.58 0.00 0.00 0.00 175.76 175.04 1o5p s TRP 39 N -0.37 3.19 -0.81 0.00 0.51 -1.26 -1.83 118.94 118.38 1o5p s TRP 39 Ca 0.05 0.06 0.16 0.00 -2.12 0.00 0.00 56.10 54.25 1o5p s TRP 39 Cb -0.09 -2.83 0.59 0.00 -0.81 0.00 0.00 33.47 30.33 1o5p s TRP 39 CO -0.00 -0.52 1.50 1.33 -0.51 0.00 0.00 176.95 178.75 1o5p n VAL 40 N 5.36 1.80 -1.49 4.03 0.24 -0.90 -4.76 118.33 122.61 1o5p n VAL 40 Ca -0.06 -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 0.56 0.00 -4.55 -1.34 9.92 -1.26 -4.95 116.55 114.92 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 0.80 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 -0.89 0.13 0.00 0.00 177.20 176.44 1o5p s THR 42 N -2.46 3.45 0.00 -3.53 2.01 -1.26 -2.89 115.64 110.97 1o5p s THR 42 Ca 0.00 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1o5p s THR 42 Cb 0.00 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.37 1o5p s THR 42 CO 0.00 -1.09 0.00 0.61 -0.69 0.00 0.00 174.62 173.45 1o5p n GLY 43 N 6.03 0.72 3.13 4.40 0.00 -1.26 -5.05 105.19 113.17 1o5p n GLY 43 Ca 0.24 -0.71 -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 2.90 -0.34 1.61 1.01 -1.14 -4.97 120.40 117.47 1o5p s VAL 44 Ca 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 61.98 60.28 1o5p s VAL 44 Cb 0.00 -2.81 0.08 0.00 0.00 0.00 0.00 36.38 33.65 1o5p s VAL 44 CO 0.00 -0.30 0.07 -0.22 0.00 0.00 0.00 175.10 174.64 1o5p s LEU 45 N 1.17 4.48 -0.43 3.92 2.96 -1.26 -2.12 118.68 127.39 1o5p s LEU 45 Ca -0.00 -1.71 -0.16 0.00 -0.22 0.00 0.00 54.13 52.03 1o5p s LEU 45 Cb -0.20 -1.72 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 1.13 3.46 0.38 5.97 0.00 -0.76 -3.08 121.76 128.86 1o5p s ALA 46 Ca 0.02 -1.67 0.08 0.00 0.00 0.00 0.00 51.96 50.39 1o5p s ALA 46 Cb -0.21 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1o5p s ALA 46 CO -0.04 -1.58 0.32 0.00 0.00 0.00 0.00 175.76 174.46 1o5p s ASN 48 N -4.05 4.25 0.00 0.00 2.47 -0.89 -0.27 114.94 116.44 1o5p s ASN 48 Ca 0.45 -0.26 0.00 0.00 0.42 0.00 0.00 52.86 53.47 1o5p s ASN 48 Cb -0.04 -1.60 0.00 0.00 -1.45 0.00 0.00 41.25 38.16 1o5p s ASN 48 CO 0.27 0.18 0.43 -0.81 -3.72 0.00 0.00 177.10 173.45 1o5p n PRO 49 N 3.41 0.62 -0.04 0.43 -0.04 -1.26 -3.00 135.00 135.11 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 0.06 0.00 -0.04 0.00 0.00 33.50 32.78 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 0.38 2.36 -1.66 0.55 0.00 -1.26 -4.45 120.51 116.43 1o5p n ALA 50 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 53.44 52.69 1o5p n ALA 50 Cb 0.21 -0.28 0.01 0.00 0.00 0.00 0.00 19.45 19.39 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 0.37 0.17 -4.55 0.00 5.75 -1.16 -2.46 116.55 114.67 1o5p n ASP 51 Ca 0.06 -1.82 -0.41 0.00 -0.01 0.00 0.00 54.79 52.61 1o5p n ASP 51 Cb 0.26 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 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 -0.18 2.61 0.00 2.11 0.40 -1.25 -3.13 117.98 118.53 1o5p s PHE 52 Ca 0.02 -0.98 0.00 0.00 -0.60 0.00 0.00 56.93 55.37 1o5p s PHE 52 Cb 0.02 -4.67 0.00 0.00 0.51 0.00 0.00 43.02 38.88 1o5p s PHE 52 CO 0.00 -1.89 0.00 0.43 0.70 0.00 0.00 175.22 174.47 1o5p n SER 53 N 8.62 0.73 0.00 1.36 7.64 0.72 -4.91 113.62 127.78 1o5p n SER 53 Ca 0.34 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.50 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 -1.63 0.00 -3.74 6.43 2.88 -1.26 -1.92 113.62 114.37 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 -0.51 0.09 -0.05 2.46 0.11 -0.58 -4.95 120.40 116.97 1o5p s VAL 55 Ca 0.00 -0.78 -0.07 0.00 -2.93 0.00 0.00 61.98 58.20 1o5p s VAL 55 Cb 0.00 -1.11 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1o5p s VAL 55 CO 0.00 -0.43 0.21 -0.89 -3.33 0.00 0.00 175.10 170.66 1o5p s THR 56 N -3.26 5.39 -0.33 5.04 2.01 -1.26 0.30 115.64 123.52 1o5p s THR 56 Ca -0.00 0.21 -0.28 0.00 0.31 0.00 0.00 61.69 61.93 1o5p s THR 56 Cb 0.01 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1o5p s THR 56 CO -0.08 0.50 2.05 0.00 -0.69 0.00 0.00 174.62 176.40 1o5p s ALA 57 N -1.16 2.58 0.00 7.40 0.00 -1.10 -4.69 121.76 124.79 1o5p s ALA 57 Ca 0.21 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.52 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 0.11 -3.06 0.00 -0.40 0.00 0.00 0.00 175.76 172.41 1o5p n ASP 58 N 11.80 0.00 -0.08 0.00 5.75 -1.26 0.31 116.55 133.07 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 0.11 0.00 2.12 0.00 -1.92 -3.12 119.26 114.45 1o5p h ALA 59 Ca 0.00 0.12 -0.35 0.00 0.00 0.00 0.00 54.91 54.68 1o5p h ALA 59 Cb 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1o5p h ALA 59 CO 0.00 -0.53 -2.31 -1.71 0.00 0.00 0.00 179.25 174.70 1o5p n ASN 60 N -5.32 1.29 0.00 0.00 4.05 -1.26 -4.54 115.26 109.47 1o5p n ASN 60 Ca 0.01 -0.06 0.00 0.00 0.45 0.00 0.00 54.58 54.97 1o5p n ASN 60 Cb 0.23 0.30 0.00 0.00 1.23 0.00 0.00 39.78 41.54 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1o5p n GLY 61 N 2.11 0.71 3.74 8.20 0.00 -1.18 -1.89 105.19 116.88 1o5p n GLY 61 Ca -0.36 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 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 6.30 -0.20 1.61 0.01 -1.25 -2.44 113.70 116.56 1o5p s SER 62 Ca 0.00 0.34 -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 64.17 1o5p s SER 62 CO 0.00 0.17 0.06 0.00 0.41 0.00 0.00 173.24 173.88 1o5p s ALA 63 N 0.28 0.90 -0.19 1.44 0.00 0.13 -4.59 121.76 119.74 1o5p s ALA 63 Ca 0.11 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1o5p s ALA 63 Cb -0.12 -1.19 0.03 0.00 0.00 0.00 0.00 23.12 21.84 1o5p s ALA 63 CO 0.00 -1.23 -0.16 -1.54 0.00 0.00 0.00 175.76 172.83 1o5p s SER 64 N 1.91 3.28 -0.05 0.00 1.04 -1.26 0.78 113.70 119.39 1o5p s SER 64 Ca 0.01 -0.77 -0.07 0.00 0.48 0.00 0.00 55.95 55.61 1o5p s SER 64 Cb -0.17 -1.40 0.01 0.00 0.10 0.00 0.00 66.02 64.57 1o5p s SER 64 CO -0.11 -0.06 0.17 0.28 0.98 0.00 0.00 173.24 174.50 1o5p s THR 65 N 1.32 0.02 -0.09 2.02 -1.32 -0.66 -5.00 115.64 111.93 1o5p s THR 65 Ca 0.02 -0.15 -0.06 0.00 -1.21 0.00 0.00 61.69 60.29 1o5p s THR 65 Cb -0.14 -0.30 -0.04 0.00 -1.51 0.00 0.00 72.50 70.51 1o5p s THR 65 CO -0.11 -0.08 0.16 -0.94 -2.21 0.00 0.00 174.62 171.44 1o5p s SER 66 N -0.23 6.39 0.15 8.08 1.04 -1.26 -2.02 113.70 125.85 1o5p s SER 66 Ca -0.03 0.45 -0.03 0.00 0.48 0.00 0.00 55.95 56.81 1o5p s SER 66 Cb -0.03 -2.06 -0.03 0.00 0.10 0.00 0.00 66.02 64.01 1o5p s SER 66 CO 0.01 0.37 0.13 -1.48 0.98 0.00 0.00 173.24 173.25 1o5p s LEU 67 N -1.27 1.45 -0.22 2.42 0.05 -0.13 -4.94 118.68 116.05 1o5p s LEU 67 Ca 0.18 -1.15 -0.15 0.00 0.05 0.00 0.00 54.13 53.06 1o5p s LEU 67 Cb -0.12 0.55 -0.04 0.00 -2.05 0.00 0.00 46.19 44.53 1o5p s LEU 67 CO 0.08 -0.79 0.36 0.42 -0.55 0.00 0.00 176.35 175.86 1o5p s THR 68 N -4.05 5.22 0.01 5.48 -4.23 -1.03 0.53 115.64 117.57 1o5p s THR 68 Ca 0.25 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 1o5p s THR 68 Cb 0.06 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.21 1o5p s THR 68 CO 0.03 0.25 -0.01 0.68 -0.54 0.00 0.00 174.62 175.03 1o5p s VAL 69 N 1.38 0.05 0.00 2.29 -7.23 -0.83 -4.04 120.40 112.02 1o5p s VAL 69 Ca 0.17 -0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.09 1o5p s VAL 69 Cb -0.15 -0.09 0.00 0.00 0.56 0.00 0.00 36.38 36.70 1o5p s VAL 69 CO 0.08 -0.12 0.00 -2.11 -0.31 0.00 0.00 175.10 172.63 1o5p n ARG 70 N 2.69 0.00 0.00 4.82 1.85 -1.26 -4.21 116.66 120.55 1o5p n ARG 70 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.70 1o5p n ARG 70 Cb 0.59 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.00 1o5p n ARG 70 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1o5p n ARG 71 N 0.00 0.00 -1.96 2.89 3.00 -1.26 -4.67 116.66 114.66 1o5p n ARG 71 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.43 1o5p n ARG 71 Cb 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 32.46 31.77 1o5p n ARG 71 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1o5p s SER 72 N -1.40 6.58 -0.27 0.55 0.01 -1.26 -1.22 113.70 116.68 1o5p s SER 72 Ca 0.00 2.76 -0.24 0.00 1.31 0.00 0.00 55.95 59.78 1o5p s SER 72 Cb 0.00 -2.63 0.08 0.00 0.21 0.00 0.00 66.02 63.68 1o5p s SER 72 CO 0.00 -0.74 0.79 0.72 0.41 0.00 0.00 173.24 174.42 1o5p s PHE 73 N -0.22 -0.75 -0.24 2.43 -0.71 -0.86 -4.84 117.98 112.80 1o5p s PHE 73 Ca 0.58 1.76 -0.25 0.00 -1.04 0.00 0.00 56.93 57.98 1o5p s PHE 73 Cb -0.43 0.33 -0.11 0.00 -1.21 0.00 0.00 43.02 41.60 1o5p s PHE 73 CO 0.47 -0.36 0.84 -1.91 -1.34 0.00 0.00 175.22 172.92 1o5p n GLU 74 N 2.79 0.00 -1.58 1.99 0.00 -1.26 -1.02 120.64 121.55 1o5p n GLU 74 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.72 1o5p n GLU 74 Cb 0.56 -0.83 -0.04 0.00 0.00 0.00 0.00 31.44 31.13 1o5p n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1o5p n GLY 75 N 2.02 4.56 3.57 8.31 0.00 -0.26 -2.73 105.19 120.65 1o5p n GLY 75 Ca 0.16 -1.98 -0.50 0.00 0.00 0.00 0.00 46.02 43.70 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 0.73 1.92 -2.58 1.61 3.72 0.63 -2.14 117.46 121.34 1o5p n PHE 76 Ca 0.50 0.17 -0.33 0.00 -0.05 0.00 0.00 57.45 57.75 1o5p n PHE 76 Cb 0.49 -2.59 -0.05 0.00 -0.94 0.00 0.00 39.48 36.40 1o5p n PHE 76 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1o5p s LEU 77 N 6.07 3.78 0.00 4.37 1.02 -0.82 -0.60 118.68 132.50 1o5p s LEU 77 Ca 1.02 1.69 0.11 0.00 0.02 0.00 0.00 54.13 56.96 1o5p s LEU 77 Cb -0.77 -4.53 0.63 0.00 0.02 0.00 0.00 46.19 41.54 1o5p s LEU 77 CO 0.50 -0.55 1.20 0.33 0.02 0.00 0.00 176.35 177.85 1o5p n PHE 78 N -1.12 0.00 0.74 0.29 7.35 -1.18 -2.54 117.46 121.01 1o5p n PHE 78 Ca 0.07 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.85 1o5p n PHE 78 Cb 0.54 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.40 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 -0.72 2.05 0.00 -2.13 2.03 -1.26 -4.95 116.55 111.56 1o5p n ASP 79 Ca 0.08 -1.52 0.00 0.00 0.52 0.00 0.00 54.79 53.86 1o5p n ASP 79 Cb 0.04 0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1o5p n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1o5p n GLY 80 N 1.09 3.24 3.81 0.27 0.00 -1.05 -5.05 105.19 107.49 1o5p n GLY 80 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.89 3.99 -0.24 2.61 -4.23 -1.26 -4.86 115.64 108.77 1o5p s THR 81 Ca 0.00 1.14 -0.14 0.00 -1.18 0.00 0.00 61.69 61.51 1o5p s THR 81 Cb 0.00 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 1o5p s THR 81 CO 0.00 -0.37 0.31 0.00 -0.54 0.00 0.00 174.62 174.02 1o5p s ARG 82 N -3.51 4.08 0.21 3.99 1.70 -1.26 -1.94 118.95 122.21 1o5p s ARG 82 Ca 0.64 -0.02 0.24 0.00 -0.47 0.00 0.00 55.73 56.12 1o5p s ARG 82 Cb -0.14 -3.59 0.39 0.00 -0.57 0.00 0.00 34.95 31.04 1o5p s ARG 82 CO 0.24 -0.10 1.43 2.35 -1.08 0.00 0.00 175.30 178.14 1o5p h TRP 83 N 7.75 0.00 0.00 5.89 7.01 -1.79 -3.48 115.95 131.33 1o5p h TRP 83 Ca -0.35 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.65 1o5p h TRP 83 Cb 1.17 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.23 1o5p h TRP 83 CO 0.71 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.77 1o5p n GLY 84 N 1.26 1.20 3.59 2.65 0.00 -1.26 -4.84 105.19 107.79 1o5p n GLY 84 Ca 0.03 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.68 3.01 -0.69 2.61 -4.23 -1.26 -1.10 115.64 112.28 1o5p s THR 85 Ca 0.00 0.01 -0.27 0.00 -1.18 0.00 0.00 61.69 60.24 1o5p s THR 85 Cb 0.00 -3.01 0.02 0.00 1.34 0.00 0.00 72.50 70.86 1o5p s THR 85 CO 0.00 -0.01 1.33 -0.69 -0.54 0.00 0.00 174.62 174.71 1o5p s VAL 86 N 8.79 3.74 -0.24 2.29 1.01 -0.19 -4.66 120.40 131.14 1o5p s VAL 86 Ca 1.00 0.48 -0.28 0.00 0.00 0.00 0.00 61.98 63.19 1o5p s VAL 86 Cb -0.31 -4.78 -0.04 0.00 0.00 0.00 0.00 36.38 31.25 1o5p s VAL 86 CO 0.34 -1.65 2.10 -1.81 0.00 0.00 0.00 175.10 174.08 1o5p s ASP 87 N 4.04 5.60 0.00 3.32 1.01 -1.26 -2.03 116.67 127.35 1o5p s ASP 87 Ca 0.40 1.77 0.08 0.00 0.71 0.00 0.00 52.55 55.51 1o5p s ASP 87 Cb -0.08 -2.51 0.41 0.00 1.01 0.00 0.00 42.92 41.74 1o5p s ASP 87 CO 0.18 -1.87 1.09 0.00 0.21 0.00 0.00 175.17 174.78 1o5p n THR 89 N -1.24 0.05 -0.01 0.00 -2.24 -1.26 -3.98 114.28 105.59 1o5p n THR 89 Ca 0.04 -0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 61.67 1o5p n THR 89 Cb 0.06 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.21 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 -0.44 0.16 -3.71 4.28 -2.24 -0.38 -5.08 114.28 106.87 1o5p n THR 90 Ca 0.17 -0.04 -0.25 0.00 -2.27 0.00 0.00 64.05 61.66 1o5p n THR 90 Cb 0.18 -1.40 0.02 0.00 -2.10 0.00 0.00 70.33 67.02 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 -2.05 4.58 -0.32 6.98 0.00 -1.21 -5.10 121.76 124.64 1o5p s ALA 91 Ca -0.04 -1.38 -0.10 0.00 0.00 0.00 0.00 51.96 50.45 1o5p s ALA 91 Cb 0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 1o5p s ALA 91 CO 0.05 -0.59 0.16 0.00 0.00 0.00 0.00 175.76 175.38 1o5p s ALA 92 N -2.79 3.27 -0.26 0.00 0.00 -1.26 -4.71 121.76 116.01 1o5p s ALA 92 Ca 0.39 -1.44 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 1o5p s ALA 92 Cb -0.03 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1o5p s ALA 92 CO 0.25 -0.98 0.32 0.00 0.00 0.00 0.00 175.76 175.36 1o5p s GLN 94 N 1.86 3.35 -0.35 0.00 -0.21 -0.65 -2.55 119.66 121.11 1o5p s GLN 94 Ca 0.13 -0.43 -0.10 0.00 0.02 0.00 0.00 55.36 54.99 1o5p s GLN 94 Cb -0.16 -3.01 0.02 0.00 1.00 0.00 0.00 33.01 30.86 1o5p s GLN 94 CO 0.10 0.63 0.18 0.08 -2.12 0.00 0.00 175.29 174.16 1o5p s VAL 95 N -1.41 4.48 0.03 1.09 1.01 0.13 -2.23 120.40 123.51 1o5p s VAL 95 Ca 0.31 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 1o5p s VAL 95 Cb -0.13 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1o5p s VAL 95 CO 0.23 -0.15 0.04 0.61 0.00 0.00 0.00 175.10 175.83 1o5p n GLY 96 N 4.97 2.97 3.81 4.51 0.00 -1.06 0.20 105.19 120.60 1o5p n GLY 96 Ca -0.12 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 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 2.40 0.04 0.99 1.02 -1.24 -2.13 118.68 119.76 1o5p s LEU 97 Ca 0.02 -1.54 -0.29 0.00 0.02 0.00 0.00 54.13 52.35 1o5p s LEU 97 Cb -0.00 -0.87 0.10 0.00 0.02 0.00 0.00 46.19 45.44 1o5p s LEU 97 CO 0.02 -0.95 1.13 -0.94 0.02 0.00 0.00 176.35 175.63 1o5p s SER 98 N -4.02 -0.13 0.00 2.29 1.04 -0.37 -4.27 113.70 108.25 1o5p s SER 98 Ca 0.14 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1o5p s SER 98 Cb 0.00 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1o5p s SER 98 CO 0.08 -0.55 0.00 -0.90 0.98 0.00 0.00 173.24 172.86 1o5p n ASP 99 N -0.44 1.50 -1.64 7.02 5.75 -1.24 0.25 116.55 127.75 1o5p n ASP 99 Ca -0.07 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.55 1o5p n ASP 99 Cb 0.62 0.00 0.09 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 4.77 -0.02 2.12 0.00 -1.26 -4.62 120.51 118.49 1o5p n ALA 100 Ca 0.00 -3.58 -0.03 0.00 0.00 0.00 0.00 53.44 49.83 1o5p n ALA 100 Cb 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.87 1.89 0.00 0.00 0.00 -1.26 -5.02 120.51 115.26 1o5p n ALA 101 Ca 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1o5p n ALA 101 Cb 0.89 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.56 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 2.88 1.09 2.96 0.00 0.00 -1.26 -5.14 105.19 105.72 1o5p n GLY 102 Ca -0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.74 -0.18 1.61 5.03 -1.26 -5.00 115.26 113.72 1o5p n ASN 103 Ca 0.00 -2.17 0.00 0.00 0.87 0.00 0.00 54.58 53.28 1o5p n ASN 103 Cb 0.00 2.89 0.00 0.00 -1.02 0.00 0.00 39.78 41.65 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 2.20 2.94 7.41 0.00 -1.26 -3.65 105.19 112.39 1o5p n GLY 104 Ca -0.06 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.72 -1.18 1.61 -0.02 -1.26 -4.91 135.00 127.52 1o5p n PRO 105 Ca 0.00 -0.51 -0.06 0.00 -2.02 0.00 0.00 63.50 60.91 1o5p n PRO 105 Cb 0.00 -1.34 0.03 0.00 -0.02 0.00 0.00 33.50 32.17 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 -0.79 0.45 -4.43 -0.52 0.28 -1.26 -4.62 120.64 109.75 1o5p n GLU 106 Ca 0.04 -0.75 -0.22 0.00 -0.16 0.00 0.00 57.16 56.08 1o5p n GLU 106 Cb 0.27 -0.17 -0.10 0.00 1.43 0.00 0.00 31.44 32.86 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 -3.09 1.78 -0.19 -1.84 0.00 -1.26 -3.60 107.32 99.11 1o5p s GLY 107 Ca 0.18 -1.85 -0.10 0.00 0.00 0.00 0.00 44.72 42.95 1o5p s GLY 107 CO 0.12 -1.88 0.14 0.14 0.00 0.00 0.00 173.10 171.62 1o5p s VAL 108 N -2.79 5.41 -0.12 1.40 1.01 0.13 -4.71 120.40 120.72 1o5p s VAL 108 Ca 0.28 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 1o5p s VAL 108 Cb -0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1o5p s VAL 108 CO 0.12 0.45 1.35 0.00 0.00 0.00 0.00 175.10 177.01 1o5p s ALA 109 N 0.29 3.63 0.45 5.51 0.00 -1.26 0.21 121.76 130.60 1o5p s ALA 109 Ca 0.09 0.60 0.06 0.00 0.00 0.00 0.00 51.96 52.71 1o5p s ALA 109 Cb -0.11 -3.64 0.01 0.00 0.00 0.00 0.00 23.12 19.39 1o5p s ALA 109 CO -0.01 -1.17 0.62 0.96 0.00 0.00 0.00 175.76 176.16 1o5p s ILE 110 N 3.43 2.98 0.04 0.00 -4.36 -1.06 -4.84 121.20 117.39 1o5p s ILE 110 Ca 0.59 -0.90 0.02 0.00 -0.26 0.00 0.00 60.65 60.09 1o5p s ILE 110 Cb -0.25 -3.03 -0.03 0.00 1.25 0.00 0.00 42.46 40.41 1o5p s ILE 110 CO 0.19 -0.01 -0.07 -0.55 0.24 0.00 0.00 174.94 174.74 1o5p s SER 111 N -4.36 0.74 -0.31 4.36 0.15 0.19 -4.71 113.70 109.75 1o5p s SER 111 Ca 0.55 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1o5p s SER 111 Cb -0.10 0.06 0.10 0.00 -1.71 0.00 0.00 66.02 64.37 1o5p s SER 111 CO 0.34 -0.26 0.08 -0.36 1.20 0.00 0.00 173.24 174.24 1o5p s PHE 112 N -1.67 2.27 -2.16 3.44 0.08 -1.26 -2.78 117.98 115.89 1o5p s PHE 112 Ca -0.09 -2.05 0.31 0.00 0.12 0.00 0.00 56.93 55.22 1o5p s PHE 112 Cb -0.08 -2.01 1.63 0.00 -0.57 0.00 0.00 43.02 41.99 1o5p s PHE 112 CO -0.01 -0.88 2.07 0.27 -0.10 0.00 0.00 175.22 176.57