#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 3.06 0.86 0.00 0.00 -1.26 -4.71 121.76 119.71 1o5p s ALA 2 Ca 0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.73 1o5p s ALA 2 Cb 0.00 -2.54 0.11 0.00 0.00 0.00 0.00 23.12 20.69 1o5p s ALA 2 CO 0.00 -1.55 1.18 -2.14 0.00 0.00 0.00 175.76 173.25 1o5p s PRO 3 N -5.36 1.34 0.00 0.00 0.02 -0.47 -4.14 135.00 126.39 1o5p s PRO 3 Ca 0.64 1.68 0.00 0.00 0.02 0.00 0.00 61.00 63.34 1o5p s PRO 3 Cb -0.08 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.69 1o5p s PRO 3 CO 0.46 -2.42 0.00 -2.37 -0.33 0.00 0.00 177.00 172.34 1o5p n THR 4 N -3.72 0.00 -3.64 0.99 5.66 0.31 -4.85 114.28 109.02 1o5p n THR 4 Ca 0.13 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.09 1o5p n THR 4 Cb 0.51 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.22 1o5p n THR 4 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1o5p s ALA 5 N -1.00 -2.13 -0.34 1.79 0.00 -1.26 -0.97 121.76 117.86 1o5p s ALA 5 Ca 0.00 2.29 -0.05 0.00 0.00 0.00 0.00 51.96 54.20 1o5p s ALA 5 Cb 0.00 -1.61 0.05 0.00 0.00 0.00 0.00 23.12 21.56 1o5p s ALA 5 CO 0.00 -0.36 0.09 -0.08 0.00 0.00 0.00 175.76 175.42 1o5p s THR 6 N 1.44 3.54 -0.06 0.00 -1.32 0.01 -4.84 115.64 114.41 1o5p s THR 6 Ca -0.09 -1.31 0.05 0.00 -1.21 0.00 0.00 61.69 59.13 1o5p s THR 6 Cb -0.04 -3.06 -0.02 0.00 -1.51 0.00 0.00 72.50 67.87 1o5p s THR 6 CO -0.17 -0.23 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.11 1o5p s VAL 7 N 1.34 2.34 -0.25 5.08 1.01 -1.26 -0.20 120.40 128.46 1o5p s VAL 7 Ca -0.01 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 1o5p s VAL 7 Cb -0.20 -1.87 0.17 0.00 0.00 0.00 0.00 36.38 34.48 1o5p s VAL 7 CO 0.01 0.57 1.28 -0.89 0.00 0.00 0.00 175.10 176.07 1o5p s THR 8 N -0.29 0.00 0.45 3.92 2.01 0.07 -4.54 115.64 117.25 1o5p s THR 8 Ca 0.01 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 1o5p s THR 8 Cb -0.13 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.28 1o5p s THR 8 CO 0.03 0.00 0.97 -2.16 -0.69 0.00 0.00 174.62 172.76 1o5p s PRO 9 N -1.15 4.12 0.08 4.92 0.05 -1.26 -0.81 135.00 140.94 1o5p s PRO 9 Ca 0.07 1.15 0.20 0.00 0.05 0.00 0.00 61.00 62.46 1o5p s PRO 9 Cb -0.01 -2.16 -0.13 0.00 0.05 0.00 0.00 34.50 32.25 1o5p s PRO 9 CO -0.06 -0.13 0.80 -1.13 0.05 0.00 0.00 177.00 176.54 1o5p n SER 10 N -0.79 0.67 -4.25 6.66 3.41 -1.26 -4.75 113.62 113.31 1o5p n SER 10 Ca 0.07 0.28 -0.14 0.00 -0.26 0.00 0.00 58.87 58.82 1o5p n SER 10 Cb 0.54 0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 64.97 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 -5.43 1.69 -0.16 4.04 0.01 -1.26 0.51 113.70 113.10 1o5p s SER 11 Ca -0.03 -1.04 -0.01 0.00 1.31 0.00 0.00 55.95 56.18 1o5p s SER 11 Cb 0.10 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1o5p s SER 11 CO 0.82 -0.38 0.10 0.61 0.41 0.00 0.00 173.24 174.80 1o5p n GLY 12 N -0.20 0.66 0.13 3.44 0.00 -1.13 -4.91 105.19 103.17 1o5p n GLY 12 Ca -0.10 -0.63 -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 1.04 0.00 0.00 0.00 173.32 174.36 1o5p n LEU 13 N -0.83 2.34 -1.17 0.99 4.77 -1.26 -5.07 117.00 116.77 1o5p n LEU 13 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1o5p n LEU 13 Cb 0.51 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1o5p n LEU 13 CO 0.06 0.64 -0.35 -0.24 -1.33 0.00 0.00 177.39 176.17 1o5p n SER 14 N -3.86 -6.41 -4.46 -1.43 2.88 -1.26 -3.82 113.62 95.26 1o5p n SER 14 Ca -0.36 1.21 -0.48 0.00 -1.33 0.00 0.00 58.87 57.91 1o5p n SER 14 Cb 0.90 -3.43 -0.07 0.00 -0.75 0.00 0.00 64.21 60.85 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 -1.79 1.97 0.00 -3.46 5.75 -1.26 -2.03 116.55 115.73 1o5p n ASP 15 Ca 0.00 0.30 0.00 0.00 -0.01 0.00 0.00 54.79 55.08 1o5p n ASP 15 Cb 0.22 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.05 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 6.50 1.44 0.97 6.12 0.00 -1.26 -5.06 105.19 113.90 1o5p n GLY 16 Ca 0.43 0.00 -0.05 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 -0.85 0.00 -4.88 2.61 5.66 -0.86 -4.96 114.28 111.00 1o5p n THR 17 Ca 0.00 -0.50 -0.26 0.00 -3.05 0.00 0.00 64.05 60.24 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 -0.11 1.47 0.21 1.08 1.01 -1.26 -2.15 120.40 120.65 1o5p s VAL 18 Ca 0.13 -0.76 0.10 0.00 0.00 0.00 0.00 61.98 61.45 1o5p s VAL 18 Cb -0.01 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1o5p s VAL 18 CO 0.08 0.42 -0.13 0.68 0.00 0.00 0.00 175.10 176.15 1o5p s VAL 19 N -0.20 2.94 -0.31 2.92 -7.23 0.17 -4.73 120.40 113.98 1o5p s VAL 19 Ca 0.01 -1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1o5p s VAL 19 Cb -0.09 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.42 1o5p s VAL 19 CO 0.01 -0.18 0.01 -0.75 -0.31 0.00 0.00 175.10 173.88 1o5p s LYS 20 N -2.99 2.42 -0.07 4.82 2.20 0.01 -0.35 119.74 125.78 1o5p s LYS 20 Ca 0.25 -1.28 -0.02 0.00 -0.36 0.00 0.00 55.97 54.56 1o5p s LYS 20 Cb -0.08 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1o5p s LYS 20 CO 0.15 -0.64 0.04 0.54 -0.36 0.00 0.00 175.35 175.08 1o5p s VAL 21 N 1.26 4.62 0.06 4.02 0.11 -0.88 -0.75 120.40 128.84 1o5p s VAL 21 Ca -0.04 -0.22 -0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1o5p s VAL 21 Cb -0.20 -3.00 -0.04 0.00 -1.53 0.00 0.00 36.38 31.61 1o5p s VAL 21 CO -0.01 0.54 -0.03 0.00 -3.33 0.00 0.00 175.10 172.27 1o5p s ALA 22 N -0.99 0.56 0.03 1.54 0.00 0.73 -1.45 121.76 122.16 1o5p s ALA 22 Ca 0.16 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 50.93 1o5p s ALA 22 Cb -0.12 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 1o5p s ALA 22 CO 0.06 -0.37 -0.14 0.20 0.00 0.00 0.00 175.76 175.51 1o5p s GLY 23 N -2.93 0.75 -0.11 0.00 0.00 0.29 -0.81 107.32 104.50 1o5p s GLY 23 Ca 0.08 -0.75 -0.05 0.00 0.00 0.00 0.00 44.72 44.00 1o5p s GLY 23 CO -0.09 -0.71 0.23 0.00 0.00 0.00 0.00 173.10 172.53 1o5p s ALA 24 N -0.71 -0.49 0.00 3.20 0.00 -0.14 0.18 121.76 123.80 1o5p s ALA 24 Ca 0.02 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1o5p s ALA 24 Cb -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1o5p s ALA 24 CO 0.01 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1o5p n GLY 25 N 4.68 0.98 3.97 0.00 0.00 -1.00 0.11 105.19 113.93 1o5p n GLY 25 Ca -0.18 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 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 2.94 -0.78 0.99 1.43 -0.82 -1.36 118.68 121.08 1o5p s LEU 26 Ca 0.00 -0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 1o5p s LEU 26 Cb 0.00 -2.41 -0.16 0.00 0.03 0.00 0.00 46.19 43.66 1o5p s LEU 26 CO 0.00 -1.86 2.57 0.00 0.23 0.00 0.00 176.35 177.30 1o5p n GLN 27 N -2.95 0.45 -1.31 1.70 3.00 -1.26 -4.05 117.38 112.96 1o5p n GLN 27 Ca 0.13 -0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.95 1o5p n GLN 27 Cb 0.60 -2.34 -0.10 0.00 0.00 0.00 0.00 30.24 28.41 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 12.80 0.32 0.00 -1.58 0.00 -1.23 -1.21 120.51 129.60 1o5p n ALA 28 Ca 0.53 -2.07 0.00 0.00 0.00 0.00 0.00 53.44 51.91 1o5p n ALA 28 Cb 0.25 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 16.81 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 5.64 0.48 2.61 0.00 0.00 0.90 -4.83 105.19 109.99 1o5p n GLY 29 Ca 0.35 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.61 -0.12 -0.40 2.61 -4.23 -0.35 -4.88 115.64 107.66 1o5p s THR 30 Ca 0.00 -0.31 -0.38 0.00 -1.18 0.00 0.00 61.69 59.82 1o5p s THR 30 Cb 0.00 -0.69 -0.14 0.00 1.34 0.00 0.00 72.50 73.01 1o5p s THR 30 CO 0.00 -0.39 2.18 0.00 -0.54 0.00 0.00 174.62 175.88 1o5p n ALA 31 N 5.28 0.82 -2.88 3.99 0.00 -1.26 -2.73 120.51 123.73 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 0.47 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.47 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 6.99 3.35 0.27 0.00 2.02 0.16 -4.47 117.35 125.68 1o5p s TYR 32 Ca 1.13 0.09 0.06 0.00 -0.37 0.00 0.00 57.07 57.97 1o5p s TYR 32 Cb -1.05 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 38.86 1o5p s TYR 32 CO 0.54 0.53 0.34 0.34 -1.57 0.00 0.00 175.55 175.72 1o5p s ASP 33 N -3.02 5.98 -0.11 2.29 2.15 0.76 -1.50 116.67 123.21 1o5p s ASP 33 Ca 0.33 -0.10 -0.04 0.00 0.43 0.00 0.00 52.55 53.17 1o5p s ASP 33 Cb -0.11 -1.55 0.05 0.00 -0.30 0.00 0.00 42.92 41.01 1o5p s ASP 33 CO 0.26 -0.16 0.11 0.54 -0.17 0.00 0.00 175.17 175.75 1o5p s VAL 34 N -2.08 -0.15 0.27 1.11 0.11 -0.89 -1.00 120.40 117.76 1o5p s VAL 34 Ca 0.37 0.14 -0.20 0.00 -2.93 0.00 0.00 61.98 59.35 1o5p s VAL 34 Cb -0.09 -0.39 0.05 0.00 -1.53 0.00 0.00 36.38 34.43 1o5p s VAL 34 CO 0.28 -0.04 0.84 -0.83 -3.33 0.00 0.00 175.10 172.03 1o5p s GLY 35 N 2.20 0.05 -0.43 6.54 0.00 -0.90 -0.33 107.32 114.45 1o5p s GLY 35 Ca 0.04 -0.35 -0.16 0.00 0.00 0.00 0.00 44.72 44.25 1o5p s GLY 35 CO -0.07 0.24 0.39 -0.86 0.00 0.00 0.00 173.10 172.80 1o5p s GLN 36 N -3.03 3.03 0.07 2.90 -2.07 -1.26 -2.66 119.66 116.65 1o5p s GLN 36 Ca 0.14 -0.97 0.04 0.00 -1.82 0.00 0.00 55.36 52.76 1o5p s GLN 36 Cb -0.04 -4.01 -0.03 0.00 -1.09 0.00 0.00 33.01 27.84 1o5p s GLN 36 CO 0.07 -0.86 -0.12 0.00 -1.32 0.00 0.00 175.29 173.06 1o5p s ALA 38 N -1.57 1.64 -0.35 0.00 0.00 -0.74 -1.63 121.76 119.11 1o5p s ALA 38 Ca -0.02 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 50.93 1o5p s ALA 38 Cb -0.08 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.61 1o5p s ALA 38 CO 0.01 0.39 0.45 -1.58 0.00 0.00 0.00 175.76 175.04 1o5p s TRP 39 N -0.43 3.19 -0.88 0.00 0.51 -1.26 -1.74 118.94 118.33 1o5p s TRP 39 Ca 0.07 0.05 0.16 0.00 -2.12 0.00 0.00 56.10 54.26 1o5p s TRP 39 Cb -0.08 -2.83 0.59 0.00 -0.81 0.00 0.00 33.47 30.34 1o5p s TRP 39 CO -0.01 -0.52 1.50 1.33 -0.51 0.00 0.00 176.95 178.75 1o5p n VAL 40 N 5.36 1.74 -1.63 4.03 0.24 -0.90 -4.75 118.33 122.43 1o5p n VAL 40 Ca -0.07 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.94 1o5p n VAL 40 Cb 0.49 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 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 0.64 0.00 -4.55 -1.34 9.92 -1.26 -4.95 116.55 115.01 1o5p n ASP 41 Ca 0.22 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.11 1o5p n ASP 41 Cb 0.79 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.23 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 -2.50 3.46 0.00 -3.53 -4.23 -1.26 -2.89 115.64 104.69 1o5p s THR 42 Ca 0.00 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 1o5p s THR 42 Cb 0.00 -4.17 0.00 0.00 1.34 0.00 0.00 72.50 69.67 1o5p s THR 42 CO 0.00 -1.12 0.00 0.61 -0.54 0.00 0.00 174.62 173.57 1o5p n GLY 43 N 5.96 0.73 3.13 3.99 0.00 -1.26 -5.05 105.19 112.70 1o5p n GLY 43 Ca 0.23 -0.70 -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 2.88 -0.33 1.61 1.01 -1.14 -4.96 120.40 117.46 1o5p s VAL 44 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.29 1o5p s VAL 44 Cb 0.00 -2.79 0.08 0.00 0.00 0.00 0.00 36.38 33.67 1o5p s VAL 44 CO 0.00 -0.30 0.04 -0.22 0.00 0.00 0.00 175.10 174.62 1o5p s LEU 45 N 1.16 4.39 -0.42 3.92 2.96 -1.26 -2.11 118.68 127.32 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 -1.69 0.03 0.00 0.50 0.00 0.00 46.19 44.82 1o5p s LEU 45 CO -0.03 -0.35 0.39 0.00 -1.32 0.00 0.00 176.35 175.04 1o5p s ALA 46 N 1.10 3.45 0.34 5.97 0.00 -0.71 -3.42 121.76 128.50 1o5p s ALA 46 Ca 0.02 -1.63 0.07 0.00 0.00 0.00 0.00 51.96 50.42 1o5p s ALA 46 Cb -0.20 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1o5p s ALA 46 CO -0.04 -1.57 0.31 0.00 0.00 0.00 0.00 175.76 174.46 1o5p s ASN 48 N -4.02 4.81 0.00 0.00 3.84 -0.85 -0.54 114.94 118.17 1o5p s ASN 48 Ca 0.42 -0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.47 1o5p s ASN 48 Cb -0.06 -1.42 0.00 0.00 -0.55 0.00 0.00 41.25 39.23 1o5p s ASN 48 CO 0.27 0.31 0.52 -0.81 -2.79 0.00 0.00 177.10 174.60 1o5p n PRO 49 N 2.59 0.74 -0.02 0.43 -0.04 -1.26 -3.10 135.00 134.35 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 -1.28 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 0.32 2.38 -1.21 0.55 0.00 -1.26 -4.52 120.51 116.77 1o5p n ALA 50 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1o5p n ALA 50 Cb 0.26 -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 -3.47 0.00 0.00 0.00 177.50 174.03 1o5p n ASP 51 N 0.11 0.25 -4.56 0.00 -0.08 -1.18 -2.71 116.55 108.38 1o5p n ASP 51 Ca 0.03 -1.45 -0.41 0.00 -1.51 0.00 0.00 54.79 51.45 1o5p n ASP 51 Cb 0.15 -0.07 -0.03 0.00 2.34 0.00 0.00 41.12 43.51 1o5p n ASP 51 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1o5p s PHE 52 N -0.19 2.41 0.00 -0.67 0.08 -1.25 -3.32 117.98 115.04 1o5p s PHE 52 Ca 0.01 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.59 1o5p s PHE 52 Cb 0.01 -4.65 0.00 0.00 -0.57 0.00 0.00 43.02 37.81 1o5p s PHE 52 CO 0.00 -2.00 0.00 0.43 -0.10 0.00 0.00 175.22 173.55 1o5p n SER 53 N 9.22 1.53 0.00 1.36 7.64 0.55 -4.94 113.62 128.98 1o5p n SER 53 Ca 0.21 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.46 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 -0.92 0.00 -3.72 6.43 2.88 -1.26 -2.10 113.62 114.93 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 -0.54 0.08 -0.01 2.46 0.11 -0.56 -4.96 120.40 116.97 1o5p s VAL 55 Ca 0.00 -0.68 -0.06 0.00 -2.93 0.00 0.00 61.98 58.31 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 -0.37 0.24 -0.89 -3.33 0.00 0.00 175.10 170.75 1o5p s THR 56 N -3.05 5.35 -0.35 5.04 2.01 -1.26 0.41 115.64 123.78 1o5p s THR 56 Ca -0.02 0.13 -0.28 0.00 0.31 0.00 0.00 61.69 61.84 1o5p s THR 56 Cb 0.01 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1o5p s THR 56 CO -0.06 0.40 2.08 0.00 -0.69 0.00 0.00 174.62 176.35 1o5p s ALA 57 N -1.26 2.49 0.00 7.40 0.00 -1.10 -4.70 121.76 124.58 1o5p s ALA 57 Ca 0.26 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.52 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 0.15 -3.20 0.00 -0.40 0.00 0.00 0.00 175.76 172.31 1o5p n ASP 58 N 12.20 0.00 -0.12 0.00 5.75 -1.26 0.31 116.55 133.43 1o5p n ASP 58 Ca 0.28 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 55.01 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 0.25 0.00 2.12 0.00 -1.92 -3.12 119.26 114.59 1o5p h ALA 59 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 54.91 54.76 1o5p h ALA 59 Cb 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1o5p h ALA 59 CO 0.00 -0.46 -2.17 0.09 0.00 0.00 0.00 179.25 176.72 1o5p n ASN 60 N -5.31 1.56 0.00 0.00 3.02 -1.26 -4.54 115.26 108.73 1o5p n ASN 60 Ca 0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1o5p n ASN 60 Cb 0.22 0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 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 2.21 0.71 3.60 7.41 0.00 -1.18 -1.94 105.19 116.00 1o5p n GLY 61 Ca -0.32 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.15 5.60 -0.19 1.61 0.01 -1.25 -2.38 113.70 115.94 1o5p s SER 62 Ca 0.00 0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.25 1o5p s SER 62 Cb 0.00 -1.98 0.06 0.00 0.21 0.00 0.00 66.02 64.32 1o5p s SER 62 CO 0.00 0.11 0.06 0.00 0.41 0.00 0.00 173.24 173.82 1o5p s ALA 63 N 0.74 0.79 -0.14 1.44 0.00 0.13 -4.61 121.76 120.11 1o5p s ALA 63 Ca 0.04 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1o5p s ALA 63 Cb -0.13 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.86 1o5p s ALA 63 CO 0.02 -1.22 -0.14 -1.12 0.00 0.00 0.00 175.76 173.30 1o5p s SER 64 N 1.96 2.61 -0.06 0.00 0.01 -1.26 0.10 113.70 117.07 1o5p s SER 64 Ca 0.01 -0.47 -0.07 0.00 1.31 0.00 0.00 55.95 56.73 1o5p s SER 64 Cb -0.17 -1.15 0.02 0.00 0.21 0.00 0.00 66.02 64.93 1o5p s SER 64 CO -0.10 -0.03 0.20 0.28 0.41 0.00 0.00 173.24 173.99 1o5p s THR 65 N 1.34 0.02 -0.13 1.44 -1.32 -0.53 -4.98 115.64 111.46 1o5p s THR 65 Ca 0.01 -0.13 -0.09 0.00 -1.21 0.00 0.00 61.69 60.27 1o5p s THR 65 Cb -0.13 -0.33 -0.04 0.00 -1.51 0.00 0.00 72.50 70.48 1o5p s THR 65 CO -0.08 -0.07 0.18 -0.94 -2.21 0.00 0.00 174.62 171.50 1o5p s SER 66 N -0.20 6.39 0.33 8.08 1.04 -1.26 -2.06 113.70 126.02 1o5p s SER 66 Ca -0.03 0.46 0.06 0.00 0.48 0.00 0.00 55.95 56.92 1o5p s SER 66 Cb -0.03 -2.10 -0.02 0.00 0.10 0.00 0.00 66.02 63.97 1o5p s SER 66 CO 0.01 0.31 0.20 0.18 0.98 0.00 0.00 173.24 174.92 1o5p n LEU 67 N 2.53 0.00 -4.55 2.42 4.32 0.53 -4.92 117.00 117.33 1o5p n LEU 67 Ca -0.18 -2.85 -0.35 0.00 -0.02 0.00 0.00 56.01 52.61 1o5p n LEU 67 Cb 0.54 1.26 -0.11 0.00 -1.62 0.00 0.00 43.42 43.49 1o5p n LEU 67 CO 0.34 -0.46 -0.27 0.42 -1.22 0.00 0.00 177.39 176.20 1o5p s THR 68 N -3.10 4.53 0.01 -5.08 -4.23 -1.10 0.43 115.64 107.10 1o5p s THR 68 Ca 0.28 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 1o5p s THR 68 Cb 0.01 -3.06 -0.01 0.00 1.34 0.00 0.00 72.50 70.78 1o5p s THR 68 CO 0.20 0.41 -0.02 0.68 -0.54 0.00 0.00 174.62 175.36 1o5p s VAL 69 N 0.85 0.10 0.00 2.29 -7.23 -0.91 -4.11 120.40 111.38 1o5p s VAL 69 Ca 0.03 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 1o5p s VAL 69 Cb -0.14 -0.14 0.00 0.00 0.56 0.00 0.00 36.38 36.66 1o5p s VAL 69 CO 0.02 -0.13 0.00 -2.11 -0.31 0.00 0.00 175.10 172.57 1o5p n ARG 70 N 2.62 0.00 0.00 4.82 1.85 -1.26 -4.15 116.66 120.54 1o5p n ARG 70 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 1o5p n ARG 70 Cb 0.58 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.99 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 -1.81 2.89 3.00 -1.26 -4.77 116.66 114.71 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 -0.20 -0.01 0.00 0.00 0.00 0.00 32.46 32.25 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 -1.09 6.38 -0.28 0.55 0.01 -1.26 -1.74 113.70 116.27 1o5p s SER 72 Ca 0.00 3.00 -0.22 0.00 1.31 0.00 0.00 55.95 60.04 1o5p s SER 72 Cb 0.00 -2.66 0.11 0.00 0.21 0.00 0.00 66.02 63.68 1o5p s SER 72 CO 0.00 -0.87 0.89 0.72 0.41 0.00 0.00 173.24 174.40 1o5p s PHE 73 N -0.77 -0.66 -0.29 2.43 -0.71 -0.75 -4.83 117.98 112.41 1o5p s PHE 73 Ca 0.56 1.49 -0.31 0.00 -1.04 0.00 0.00 56.93 57.63 1o5p s PHE 73 Cb -0.46 0.38 -0.13 0.00 -1.21 0.00 0.00 43.02 41.59 1o5p s PHE 73 CO 0.58 -0.32 1.02 0.39 -1.34 0.00 0.00 175.22 175.55 1o5p n GLU 74 N 2.93 0.00 -1.85 1.99 -0.58 -1.26 -1.79 120.64 120.09 1o5p n GLU 74 Ca -0.15 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.24 1o5p n GLU 74 Cb 0.56 -1.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.43 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 2.44 5.14 3.42 0.62 0.00 -0.57 -2.67 105.19 113.56 1o5p n GLY 75 Ca 0.20 -2.24 -0.62 0.00 0.00 0.00 0.00 46.02 43.35 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 0.20 1.49 -3.01 1.61 3.01 0.30 -2.31 117.46 118.75 1o5p n PHE 76 Ca 0.52 0.98 -0.40 0.00 1.01 0.00 0.00 57.45 59.55 1o5p n PHE 76 Cb 0.35 -2.15 -0.05 0.00 -0.01 0.00 0.00 39.48 37.62 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 3.84 4.23 -0.31 4.37 2.96 -0.62 -1.96 118.68 131.19 1o5p s LEU 77 Ca 1.05 1.10 -0.02 0.00 -0.22 0.00 0.00 54.13 56.04 1o5p s LEU 77 Cb -1.43 -3.09 -0.03 0.00 0.50 0.00 0.00 46.19 42.14 1o5p s LEU 77 CO 0.73 -0.25 1.40 0.33 -1.32 0.00 0.00 176.35 177.25 1o5p n PHE 78 N 4.57 0.46 -2.00 5.38 7.35 -1.22 -2.94 117.46 129.07 1o5p n PHE 78 Ca 0.01 -0.97 0.00 0.00 -0.76 0.00 0.00 57.45 55.73 1o5p n PHE 78 Cb 0.50 -0.97 0.00 0.00 0.35 0.00 0.00 39.48 39.36 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 2.03 -1.26 -4.98 116.55 114.60 1o5p n ASP 79 Ca 0.16 -1.05 0.00 0.00 0.52 0.00 0.00 54.79 54.42 1o5p n ASP 79 Cb 0.08 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 0.00 2.77 3.97 0.27 0.00 -1.15 -4.99 105.19 106.06 1o5p n GLY 80 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.15 4.57 -0.07 2.61 -4.23 -1.26 -4.97 115.64 111.14 1o5p s THR 81 Ca 0.00 -0.79 -0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1o5p s THR 81 Cb 0.00 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.18 1o5p s THR 81 CO 0.00 -0.31 -0.02 0.00 -0.54 0.00 0.00 174.62 173.75 1o5p s ARG 82 N -4.23 2.90 0.32 3.99 1.70 -1.26 -1.59 118.95 120.78 1o5p s ARG 82 Ca 0.42 -0.46 0.23 0.00 -0.47 0.00 0.00 55.73 55.45 1o5p s ARG 82 Cb -0.09 -2.72 0.27 0.00 -0.57 0.00 0.00 34.95 31.83 1o5p s ARG 82 CO 0.33 0.69 1.42 2.35 -1.08 0.00 0.00 175.30 179.01 1o5p h TRP 83 N 5.12 0.00 0.00 5.89 7.01 -1.78 -3.45 115.95 128.74 1o5p h TRP 83 Ca -0.50 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.50 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 1.16 1.06 3.60 2.65 0.00 -1.26 -4.90 105.19 107.49 1o5p n GLY 84 Ca 0.03 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 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 -1.27 3.23 -0.57 2.61 -4.23 -1.26 -1.51 115.64 112.64 1o5p s THR 85 Ca 0.00 0.23 -0.26 0.00 -1.18 0.00 0.00 61.69 60.48 1o5p s THR 85 Cb 0.00 -3.32 0.04 0.00 1.34 0.00 0.00 72.50 70.56 1o5p s THR 85 CO 0.00 -0.20 1.08 -0.69 -0.54 0.00 0.00 174.62 174.27 1o5p s VAL 86 N 7.70 4.17 -0.26 2.29 1.01 -0.74 -4.72 120.40 129.85 1o5p s VAL 86 Ca 0.91 0.59 -0.29 0.00 0.00 0.00 0.00 61.98 63.19 1o5p s VAL 86 Cb -0.28 -4.65 -0.03 0.00 0.00 0.00 0.00 36.38 31.42 1o5p s VAL 86 CO 0.34 -1.26 1.86 -1.81 0.00 0.00 0.00 175.10 174.23 1o5p s ASP 87 N 2.95 5.94 0.00 3.32 1.11 -1.26 -1.80 116.67 126.93 1o5p s ASP 87 Ca 0.37 1.60 0.08 0.00 0.18 0.00 0.00 52.55 54.77 1o5p s ASP 87 Cb -0.10 -2.52 0.41 0.00 1.07 0.00 0.00 42.92 41.78 1o5p s ASP 87 CO 0.22 -1.62 1.11 0.00 1.18 0.00 0.00 175.17 176.06 1o5p n THR 89 N -1.27 0.00 -0.05 0.00 -2.24 -1.26 -4.04 114.28 105.43 1o5p n THR 89 Ca 0.04 -0.09 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 1o5p n THR 89 Cb 0.06 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 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 -0.65 0.50 -3.42 4.28 -2.24 -0.22 -5.06 114.28 107.47 1o5p n THR 90 Ca 0.20 -0.12 -0.19 0.00 -2.27 0.00 0.00 64.05 61.67 1o5p n THR 90 Cb 0.22 -1.62 0.03 0.00 -2.10 0.00 0.00 70.33 66.86 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 -3.41 0.86 -3.09 6.98 0.00 -1.18 -5.10 120.51 115.58 1o5p n ALA 91 Ca -0.18 -1.78 -0.37 0.00 0.00 0.00 0.00 53.44 51.11 1o5p n ALA 91 Cb 0.62 0.61 -0.12 0.00 0.00 0.00 0.00 19.45 20.56 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 -2.61 3.13 -0.24 0.00 0.00 -1.26 -4.71 121.76 116.06 1o5p s ALA 92 Ca 0.38 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.81 1o5p s ALA 92 Cb -0.03 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 1o5p s ALA 92 CO 0.24 -0.86 0.31 0.00 0.00 0.00 0.00 175.76 175.45 1o5p s GLN 94 N 1.56 3.19 -0.38 0.00 -0.21 -0.65 -2.58 119.66 120.59 1o5p s GLN 94 Ca 0.13 -0.45 -0.12 0.00 0.02 0.00 0.00 55.36 54.95 1o5p s GLN 94 Cb -0.15 -2.93 0.03 0.00 1.00 0.00 0.00 33.01 30.96 1o5p s GLN 94 CO 0.08 0.65 0.22 0.08 -2.12 0.00 0.00 175.29 174.20 1o5p s VAL 95 N -1.27 4.68 0.08 1.09 1.01 0.14 -2.25 120.40 123.87 1o5p s VAL 95 Ca 0.26 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 1o5p s VAL 95 Cb -0.12 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1o5p s VAL 95 CO 0.17 -0.26 0.11 0.61 0.00 0.00 0.00 175.10 175.72 1o5p n GLY 96 N 5.02 2.93 3.44 4.51 0.00 -1.09 0.31 105.19 120.32 1o5p n GLY 96 Ca -0.12 -1.43 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.73 0.99 4.32 -1.22 -2.11 117.00 115.25 1o5p n LEU 97 Ca 0.00 -2.72 0.02 0.00 -0.02 0.00 0.00 56.01 53.30 1o5p n LEU 97 Cb 0.13 0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 1o5p n LEU 97 CO 0.06 -0.51 1.10 -0.94 -1.22 0.00 0.00 177.39 175.88 1o5p s SER 98 N -3.84 -0.03 0.00 -1.43 1.04 -0.17 -4.36 113.70 104.91 1o5p s SER 98 Ca 0.20 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1o5p s SER 98 Cb -0.02 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1o5p s SER 98 CO 0.12 -0.25 0.00 -0.90 0.98 0.00 0.00 173.24 173.19 1o5p n ASP 99 N -0.68 1.87 -1.57 7.02 5.75 -1.23 0.27 116.55 127.98 1o5p n ASP 99 Ca -0.05 -0.17 -0.15 0.00 -0.01 0.00 0.00 54.79 54.41 1o5p n ASP 99 Cb 0.62 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 4.70 -0.01 2.12 0.00 -1.26 -4.62 120.51 118.43 1o5p n ALA 100 Ca 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 53.44 49.87 1o5p n ALA 100 Cb 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.89 1.93 0.00 0.00 0.00 -1.26 -5.02 120.51 115.28 1o5p n ALA 101 Ca 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1o5p n ALA 101 Cb 0.89 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.61 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 3.01 0.96 2.96 0.00 0.00 -1.26 -5.14 105.19 105.72 1o5p n GLY 102 Ca -0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.39 1.61 5.03 -1.26 -4.99 115.26 113.52 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 1.71 3.07 7.41 0.00 -1.26 -3.58 105.19 112.10 1o5p n GLY 104 Ca -0.06 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.06 -1.23 1.61 -0.02 -1.26 -4.88 135.00 128.16 1o5p n PRO 105 Ca 0.00 -0.31 -0.08 0.00 -2.02 0.00 0.00 63.50 61.10 1o5p n PRO 105 Cb 0.00 -1.34 0.04 0.00 -0.02 0.00 0.00 33.50 32.18 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 -0.04 0.33 -4.58 -0.52 0.28 -1.26 -4.53 120.64 110.31 1o5p n GLU 106 Ca 0.01 -0.89 -0.27 0.00 -0.16 0.00 0.00 57.16 55.85 1o5p n GLU 106 Cb 0.54 -0.23 -0.10 0.00 1.43 0.00 0.00 31.44 33.08 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 -3.32 2.45 -0.14 -1.84 0.00 -1.26 -3.42 107.32 99.78 1o5p s GLY 107 Ca 0.22 -1.97 -0.04 0.00 0.00 0.00 0.00 44.72 42.92 1o5p s GLY 107 CO 0.15 -2.02 0.01 0.14 0.00 0.00 0.00 173.10 171.38 1o5p s VAL 108 N -2.92 4.31 -0.08 1.40 1.01 0.15 -4.75 120.40 119.51 1o5p s VAL 108 Ca 0.32 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1o5p s VAL 108 Cb 0.08 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1o5p s VAL 108 CO 0.15 0.52 1.22 0.00 0.00 0.00 0.00 175.10 176.99 1o5p s ALA 109 N -0.02 3.54 0.43 5.51 0.00 -1.26 0.25 121.76 130.21 1o5p s ALA 109 Ca 0.03 0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.63 1o5p s ALA 109 Cb -0.13 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.46 1o5p s ALA 109 CO 0.02 -0.87 0.60 0.96 0.00 0.00 0.00 175.76 176.48 1o5p s ILE 110 N 2.53 3.30 0.06 0.00 -4.36 -1.07 -4.84 121.20 116.83 1o5p s ILE 110 Ca 0.56 -0.87 0.02 0.00 -0.26 0.00 0.00 60.65 60.09 1o5p s ILE 110 Cb -0.24 -3.15 -0.03 0.00 1.25 0.00 0.00 42.46 40.29 1o5p s ILE 110 CO 0.20 -0.07 -0.07 -0.44 0.24 0.00 0.00 174.94 174.80 1o5p s SER 111 N -4.31 0.88 -0.30 4.36 0.01 0.18 -4.74 113.70 109.78 1o5p s SER 111 Ca 0.52 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1o5p s SER 111 Cb -0.10 0.08 0.09 0.00 0.21 0.00 0.00 66.02 66.30 1o5p s SER 111 CO 0.34 -0.34 0.07 -0.36 0.41 0.00 0.00 173.24 173.36 1o5p s PHE 112 N -2.43 2.07 -2.08 2.43 0.08 -1.26 -2.83 117.98 113.96 1o5p s PHE 112 Ca -0.01 -1.90 0.31 0.00 0.12 0.00 0.00 56.93 55.46 1o5p s PHE 112 Cb -0.03 -1.87 1.78 0.00 -0.57 0.00 0.00 43.02 42.33 1o5p s PHE 112 CO -0.03 -0.86 2.15 0.27 -0.10 0.00 0.00 175.22 176.66