#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 3.87 0.87 0.00 0.00 -1.26 -4.87 121.76 120.37 1o5p s ALA 2 Ca 0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 1o5p s ALA 2 Cb 0.00 -1.77 0.12 0.00 0.00 0.00 0.00 23.12 21.47 1o5p s ALA 2 CO 0.00 0.76 1.18 -2.14 0.00 0.00 0.00 175.76 175.56 1o5p s PRO 3 N -2.12 1.26 0.00 0.00 0.02 -0.40 -4.20 135.00 129.56 1o5p s PRO 3 Ca 0.29 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.97 1o5p s PRO 3 Cb -0.13 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1o5p s PRO 3 CO 0.21 -2.48 0.00 -2.37 -0.33 0.00 0.00 177.00 172.03 1o5p n THR 4 N -3.83 0.00 -3.64 0.99 5.66 0.27 -4.86 114.28 108.87 1o5p n THR 4 Ca 0.13 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.08 1o5p n THR 4 Cb 0.51 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.23 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 -2.11 -0.35 1.79 0.00 -1.26 -0.93 121.76 117.91 1o5p s ALA 5 Ca 0.00 2.30 -0.06 0.00 0.00 0.00 0.00 51.96 54.20 1o5p s ALA 5 Cb 0.00 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.58 1o5p s ALA 5 CO 0.00 -0.36 0.11 -0.08 0.00 0.00 0.00 175.76 175.43 1o5p s THR 6 N 1.47 3.67 -0.06 0.00 -1.32 0.02 -4.84 115.64 114.58 1o5p s THR 6 Ca -0.09 -1.27 0.04 0.00 -1.21 0.00 0.00 61.69 59.16 1o5p s THR 6 Cb -0.04 -3.13 -0.02 0.00 -1.51 0.00 0.00 72.50 67.80 1o5p s THR 6 CO -0.17 -0.24 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.11 1o5p s VAL 7 N 1.36 2.53 -0.20 5.08 1.01 -1.26 -0.23 120.40 128.70 1o5p s VAL 7 Ca -0.01 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 1o5p s VAL 7 Cb -0.20 -1.97 0.14 0.00 0.00 0.00 0.00 36.38 34.35 1o5p s VAL 7 CO 0.02 0.57 1.10 -0.89 0.00 0.00 0.00 175.10 175.89 1o5p s THR 8 N -0.30 0.00 0.41 3.92 2.01 0.06 -4.44 115.64 117.31 1o5p s THR 8 Ca 0.01 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.79 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 0.96 -2.16 -0.69 0.00 0.00 174.62 172.76 1o5p s PRO 9 N -0.93 4.25 0.10 4.92 0.04 -1.26 -0.65 135.00 141.47 1o5p s PRO 9 Ca 0.01 1.21 0.17 0.00 0.04 0.00 0.00 61.00 62.43 1o5p s PRO 9 Cb -0.01 -2.31 -0.10 0.00 0.04 0.00 0.00 34.50 32.12 1o5p s PRO 9 CO -0.02 -0.02 0.94 0.66 0.04 0.00 0.00 177.00 178.60 1o5p h SER 10 N 2.15 0.00 -4.01 6.66 4.64 -1.91 -3.45 113.55 117.64 1o5p h SER 10 Ca -0.49 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.50 1o5p h SER 10 Cb 1.19 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.13 1o5p h SER 10 CO 0.62 0.55 -0.69 -0.44 -0.87 0.00 0.00 176.83 175.99 1o5p s SER 11 N -5.89 1.73 -0.16 4.97 0.01 -1.26 0.48 113.70 113.59 1o5p s SER 11 Ca -0.02 -1.08 -0.01 0.00 1.31 0.00 0.00 55.95 56.16 1o5p s SER 11 Cb 0.09 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1o5p s SER 11 CO 0.80 -0.40 0.10 0.61 0.41 0.00 0.00 173.24 174.75 1o5p n GLY 12 N -0.25 0.68 0.13 3.44 0.00 -1.15 -4.90 105.19 103.13 1o5p n GLY 12 Ca -0.09 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.82 2.43 -1.08 0.99 4.77 -1.26 -5.06 117.00 116.97 1o5p n LEU 13 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 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 0.70 -0.32 -0.24 -1.33 0.00 0.00 177.39 176.25 1o5p n SER 14 N -3.76 -5.99 -4.47 -1.43 2.88 -1.26 -3.83 113.62 95.76 1o5p n SER 14 Ca -0.37 1.07 -0.47 0.00 -1.33 0.00 0.00 58.87 57.78 1o5p n SER 14 Cb 0.93 -3.07 -0.07 0.00 -0.75 0.00 0.00 64.21 61.25 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 -1.61 1.93 0.00 -3.46 5.75 -1.26 -2.00 116.55 115.90 1o5p n ASP 15 Ca 0.00 0.22 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 1o5p n ASP 15 Cb 0.17 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 38.98 1o5p n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1o5p n GLY 16 N 6.44 1.51 0.67 6.12 0.00 -1.26 -5.06 105.19 113.62 1o5p n GLY 16 Ca 0.44 0.00 -0.04 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 -0.65 0.00 -4.67 2.61 5.66 -0.85 -4.96 114.28 111.42 1o5p n THR 17 Ca 0.00 -0.36 -0.23 0.00 -3.05 0.00 0.00 64.05 60.41 1o5p n THR 17 Cb 0.00 -0.69 -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 -0.01 1.17 0.18 1.08 1.01 -1.26 -1.98 120.40 120.59 1o5p s VAL 18 Ca 0.08 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1o5p s VAL 18 Cb -0.01 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1o5p s VAL 18 CO 0.05 0.34 -0.08 0.68 0.00 0.00 0.00 175.10 176.09 1o5p s VAL 19 N -0.10 3.23 -0.35 2.92 -7.23 0.16 -4.74 120.40 114.29 1o5p s VAL 19 Ca 0.01 -1.66 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 1o5p s VAL 19 Cb -0.08 -2.61 0.04 0.00 0.56 0.00 0.00 36.38 34.29 1o5p s VAL 19 CO 0.01 -0.13 0.14 -0.75 -0.31 0.00 0.00 175.10 174.06 1o5p s LYS 20 N -2.88 2.63 -0.07 4.82 2.20 0.17 -1.04 119.74 125.56 1o5p s LYS 20 Ca 0.25 -1.21 -0.03 0.00 -0.36 0.00 0.00 55.97 54.62 1o5p s LYS 20 Cb -0.09 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1o5p s LYS 20 CO 0.16 -0.71 0.07 0.54 -0.36 0.00 0.00 175.35 175.05 1o5p s VAL 21 N 1.42 4.84 0.07 4.02 0.11 -0.84 -0.76 120.40 129.27 1o5p s VAL 21 Ca -0.00 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.91 1o5p s VAL 21 Cb -0.20 -3.11 -0.04 0.00 -1.53 0.00 0.00 36.38 31.50 1o5p s VAL 21 CO 0.03 0.54 -0.04 0.00 -3.33 0.00 0.00 175.10 172.30 1o5p s ALA 22 N -1.03 0.72 0.03 1.54 0.00 0.69 -1.49 121.76 122.21 1o5p s ALA 22 Ca 0.17 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 50.89 1o5p s ALA 22 Cb -0.12 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1o5p s ALA 22 CO 0.06 -0.32 -0.14 0.20 0.00 0.00 0.00 175.76 175.56 1o5p s GLY 23 N -2.98 0.77 -0.11 0.00 0.00 0.31 -0.80 107.32 104.51 1o5p s GLY 23 Ca 0.10 -0.77 -0.05 0.00 0.00 0.00 0.00 44.72 44.00 1o5p s GLY 23 CO -0.07 -0.72 0.24 0.00 0.00 0.00 0.00 173.10 172.54 1o5p s ALA 24 N -0.71 -0.50 0.00 3.20 0.00 -0.10 0.05 121.76 123.71 1o5p s ALA 24 Ca 0.03 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1o5p s ALA 24 Cb -0.07 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1o5p s ALA 24 CO 0.01 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.79 1o5p n GLY 25 N 4.73 0.91 3.96 0.00 0.00 -0.99 0.96 105.19 114.76 1o5p n GLY 25 Ca -0.17 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 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 2.88 -0.81 0.99 1.43 -0.91 -1.27 118.68 120.99 1o5p s LEU 26 Ca 0.00 0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 52.87 1o5p s LEU 26 Cb 0.00 -2.45 -0.17 0.00 0.03 0.00 0.00 46.19 43.60 1o5p s LEU 26 CO 0.00 -1.95 2.58 0.00 0.23 0.00 0.00 176.35 177.21 1o5p n GLN 27 N -3.06 0.39 -1.27 1.70 3.00 -1.26 -4.12 117.38 112.75 1o5p n GLN 27 Ca 0.13 -0.01 -0.17 0.00 -0.01 0.00 0.00 57.00 56.93 1o5p n GLN 27 Cb 0.60 -2.24 -0.10 0.00 0.00 0.00 0.00 30.24 28.51 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 12.54 0.34 0.00 -1.58 0.00 -1.24 -1.23 120.51 129.33 1o5p n ALA 28 Ca 0.55 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.94 1o5p n ALA 28 Cb 0.23 -2.84 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 5.57 0.52 2.63 0.00 0.00 0.91 -4.83 105.19 110.00 1o5p n GLY 29 Ca 0.34 0.00 -0.25 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 -0.66 -0.14 -0.35 2.61 -4.23 -0.37 -4.88 115.64 107.62 1o5p s THR 30 Ca 0.00 -0.23 -0.36 0.00 -1.18 0.00 0.00 61.69 59.92 1o5p s THR 30 Cb 0.00 -0.65 -0.12 0.00 1.34 0.00 0.00 72.50 73.07 1o5p s THR 30 CO 0.00 -0.32 2.18 0.00 -0.54 0.00 0.00 174.62 175.94 1o5p n ALA 31 N 5.29 1.03 -2.78 3.99 0.00 -1.26 -2.72 120.51 124.06 1o5p n ALA 31 Ca -0.06 -0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.08 1o5p n ALA 31 Cb 0.48 -2.52 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 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 7.22 3.08 0.34 0.00 1.51 0.15 -4.25 117.35 125.39 1o5p s TYR 32 Ca 1.10 -0.06 0.06 0.00 -1.01 0.00 0.00 57.07 57.17 1o5p s TYR 32 Cb -0.89 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 39.49 1o5p s TYR 32 CO 0.50 0.52 0.47 0.34 -1.11 0.00 0.00 175.55 176.28 1o5p s ASP 33 N -3.23 5.97 -0.16 2.29 2.15 0.62 -1.48 116.67 122.84 1o5p s ASP 33 Ca 0.31 -0.17 -0.04 0.00 0.43 0.00 0.00 52.55 53.08 1o5p s ASP 33 Cb -0.09 -1.25 0.08 0.00 -0.30 0.00 0.00 42.92 41.36 1o5p s ASP 33 CO 0.23 -0.44 0.23 0.54 -0.17 0.00 0.00 175.17 175.56 1o5p s VAL 34 N -2.18 -0.36 0.16 1.11 0.11 -0.84 -1.18 120.40 117.22 1o5p s VAL 34 Ca 0.45 0.09 -0.13 0.00 -2.93 0.00 0.00 61.98 59.46 1o5p s VAL 34 Cb -0.10 -0.55 0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1o5p s VAL 34 CO 0.31 -0.04 0.62 0.61 -3.33 0.00 0.00 175.10 173.28 1o5p n GLY 35 N 5.33 0.99 3.46 6.54 0.00 -0.90 -0.29 105.19 120.32 1o5p n GLY 35 Ca -0.05 -1.10 -0.43 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 2.97 0.08 1.61 -2.07 -1.26 -2.54 119.66 116.41 1o5p s GLN 36 Ca 0.14 -1.02 0.05 0.00 -1.82 0.00 0.00 55.36 52.71 1o5p s GLN 36 Cb -0.02 -3.97 -0.03 0.00 -1.09 0.00 0.00 33.01 27.89 1o5p s GLN 36 CO 0.05 -0.75 -0.15 0.00 -1.32 0.00 0.00 175.29 173.12 1o5p s ALA 38 N -1.42 1.42 -0.35 0.00 0.00 -0.76 -1.78 121.76 118.87 1o5p s ALA 38 Ca 0.00 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 51.06 1o5p s ALA 38 Cb -0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1o5p s ALA 38 CO 0.02 0.34 0.45 -1.58 0.00 0.00 0.00 175.76 175.00 1o5p s TRP 39 N -0.38 3.19 -0.88 0.00 0.51 -1.26 -1.74 118.94 118.38 1o5p s TRP 39 Ca 0.06 0.07 0.16 0.00 -2.12 0.00 0.00 56.10 54.28 1o5p s TRP 39 Cb -0.07 -2.83 0.61 0.00 -0.81 0.00 0.00 33.47 30.37 1o5p s TRP 39 CO -0.01 -0.51 1.52 1.33 -0.51 0.00 0.00 176.95 178.78 1o5p n VAL 40 N 5.36 1.79 -1.22 4.03 0.24 -0.89 -4.75 118.33 122.89 1o5p n VAL 40 Ca -0.07 -1.30 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 1o5p n VAL 40 Cb 0.49 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 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 0.67 0.00 -4.55 -1.34 8.00 -1.26 -4.95 116.55 113.12 1o5p n ASP 41 Ca 0.22 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.36 1o5p n ASP 41 Cb 0.81 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.88 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 -2.37 3.42 0.00 -3.53 -1.32 -1.26 -2.80 115.64 107.78 1o5p s THR 42 Ca 0.00 0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.54 1o5p s THR 42 Cb 0.00 -4.06 0.00 0.00 -1.51 0.00 0.00 72.50 66.93 1o5p s THR 42 CO 0.00 -1.02 0.00 0.61 -2.21 0.00 0.00 174.62 172.00 1o5p n GLY 43 N 5.97 0.70 3.12 6.08 0.00 -1.26 -5.04 105.19 114.75 1o5p n GLY 43 Ca 0.24 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 2.77 -0.34 1.61 1.01 -1.12 -4.99 120.40 117.33 1o5p s VAL 44 Ca 0.00 -1.71 -0.00 0.00 0.00 0.00 0.00 61.98 60.27 1o5p s VAL 44 Cb 0.00 -2.72 0.08 0.00 0.00 0.00 0.00 36.38 33.74 1o5p s VAL 44 CO 0.00 -0.27 0.06 -0.22 0.00 0.00 0.00 175.10 174.67 1o5p s LEU 45 N 1.15 4.46 -0.42 3.92 2.96 -1.26 -2.10 118.68 127.37 1o5p s LEU 45 Ca -0.01 -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 -0.04 -0.37 0.38 0.00 -1.32 0.00 0.00 176.35 175.01 1o5p s ALA 46 N 1.12 3.46 0.36 5.97 0.00 -0.71 -3.46 121.76 128.49 1o5p s ALA 46 Ca 0.02 -1.64 0.08 0.00 0.00 0.00 0.00 51.96 50.41 1o5p s ALA 46 Cb -0.21 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1o5p s ALA 46 CO -0.04 -1.56 0.29 0.00 0.00 0.00 0.00 175.76 174.45 1o5p s ASN 48 N -4.00 4.34 0.00 0.00 2.47 -0.88 -0.69 114.94 116.17 1o5p s ASN 48 Ca 0.42 -0.25 0.00 0.00 0.42 0.00 0.00 52.86 53.45 1o5p s ASN 48 Cb -0.05 -1.68 0.00 0.00 -1.45 0.00 0.00 41.25 38.07 1o5p s ASN 48 CO 0.26 0.17 0.36 -0.81 -3.72 0.00 0.00 177.10 173.36 1o5p n PRO 49 N 3.54 0.58 -0.05 0.43 -0.05 -1.26 -2.96 135.00 135.23 1o5p n PRO 49 Ca -0.18 0.00 0.06 0.00 -0.05 0.00 0.00 63.50 63.33 1o5p n PRO 49 Cb 0.53 -1.27 0.08 0.00 -0.05 0.00 0.00 33.50 32.79 1o5p n PRO 49 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1o5p n ALA 50 N 0.32 2.40 -1.87 0.55 0.00 -1.26 -4.38 120.51 116.27 1o5p n ALA 50 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1o5p n ALA 50 Cb 0.18 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 0.66 0.04 -4.54 0.00 5.75 -1.16 -2.51 116.55 114.80 1o5p n ASP 51 Ca 0.09 -1.91 -0.42 0.00 -0.01 0.00 0.00 54.79 52.54 1o5p n ASP 51 Cb 0.34 -0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 40.22 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 -0.05 2.67 0.00 2.11 0.40 -1.25 -3.12 117.98 118.74 1o5p s PHE 52 Ca 0.00 -0.98 0.00 0.00 -0.60 0.00 0.00 56.93 55.35 1o5p s PHE 52 Cb 0.00 -4.61 0.00 0.00 0.51 0.00 0.00 43.02 38.93 1o5p s PHE 52 CO 0.00 -1.84 0.00 0.43 0.70 0.00 0.00 175.22 174.52 1o5p n SER 53 N 8.35 0.70 0.00 1.36 7.64 0.61 -4.91 113.62 127.36 1o5p n SER 53 Ca 0.31 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.51 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 -1.58 0.00 -3.61 6.43 2.88 -1.26 -1.99 113.62 114.48 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 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 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 -0.63 0.06 -0.06 2.46 0.11 -0.55 -4.96 120.40 116.83 1o5p s VAL 55 Ca 0.00 -0.47 -0.07 0.00 -2.93 0.00 0.00 61.98 58.51 1o5p s VAL 55 Cb 0.00 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 1o5p s VAL 55 CO 0.00 -0.26 0.20 -0.89 -3.33 0.00 0.00 175.10 170.82 1o5p s THR 56 N -3.49 5.40 -0.34 5.04 2.01 -1.26 0.31 115.64 123.30 1o5p s THR 56 Ca 0.01 0.19 -0.28 0.00 0.31 0.00 0.00 61.69 61.92 1o5p s THR 56 Cb 0.01 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1o5p s THR 56 CO -0.10 0.50 2.09 0.00 -0.69 0.00 0.00 174.62 176.42 1o5p s ALA 57 N -1.15 2.51 0.00 7.40 0.00 -1.10 -4.70 121.76 124.71 1o5p s ALA 57 Ca 0.21 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1o5p s ALA 57 Cb -0.13 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.86 1o5p s ALA 57 CO 0.10 -3.17 0.00 -0.40 0.00 0.00 0.00 175.76 172.29 1o5p n ASP 58 N 12.17 0.00 -0.07 0.00 5.75 -1.26 0.31 116.55 133.44 1o5p n ASP 58 Ca 0.28 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.99 1o5p n ASP 58 Cb 0.48 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.56 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 -2.06 0.20 0.00 2.12 0.00 -1.92 -3.18 119.26 114.43 1o5p h ALA 59 Ca 0.00 0.10 -0.38 0.00 0.00 0.00 0.00 54.91 54.63 1o5p h ALA 59 Cb 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1o5p h ALA 59 CO 0.00 -0.45 -2.45 0.27 0.00 0.00 0.00 179.25 176.61 1o5p n ASN 60 N -5.22 1.77 0.00 0.00 0.23 -1.26 -4.54 115.26 106.24 1o5p n ASN 60 Ca -0.00 -0.12 0.00 0.00 -0.53 0.00 0.00 54.58 53.92 1o5p n ASN 60 Cb 0.16 -0.24 0.00 0.00 -2.08 0.00 0.00 39.78 37.62 1o5p n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1o5p n GLY 61 N 2.21 0.69 3.65 4.83 0.00 -1.20 -2.15 105.19 113.22 1o5p n GLY 61 Ca -0.44 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.01 5.76 -0.19 1.61 0.01 -1.26 -2.34 113.70 116.29 1o5p s SER 62 Ca 0.00 0.10 -0.04 0.00 1.31 0.00 0.00 55.95 57.32 1o5p s SER 62 Cb 0.00 -2.00 0.06 0.00 0.21 0.00 0.00 66.02 64.30 1o5p s SER 62 CO 0.00 0.16 0.08 0.00 0.41 0.00 0.00 173.24 173.89 1o5p s ALA 63 N 0.48 0.64 -0.15 1.44 0.00 0.11 -4.62 121.76 119.66 1o5p s ALA 63 Ca 0.04 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1o5p s ALA 63 Cb -0.12 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 21.90 1o5p s ALA 63 CO 0.00 -1.23 -0.15 -1.12 0.00 0.00 0.00 175.76 173.26 1o5p s SER 64 N 2.04 2.71 -0.01 0.00 0.01 -1.26 0.11 113.70 117.30 1o5p s SER 64 Ca 0.02 -0.50 -0.10 0.00 1.31 0.00 0.00 55.95 56.68 1o5p s SER 64 Cb -0.16 -1.20 0.01 0.00 0.21 0.00 0.00 66.02 64.87 1o5p s SER 64 CO -0.12 -0.04 0.20 0.28 0.41 0.00 0.00 173.24 173.98 1o5p s THR 65 N 1.37 0.07 -0.02 1.44 -1.32 -0.56 -4.99 115.64 111.64 1o5p s THR 65 Ca 0.03 -0.58 -0.03 0.00 -1.21 0.00 0.00 61.69 59.90 1o5p s THR 65 Cb -0.13 -0.49 -0.04 0.00 -1.51 0.00 0.00 72.50 70.33 1o5p s THR 65 CO -0.09 -0.32 0.17 -0.94 -2.21 0.00 0.00 174.62 171.23 1o5p s SER 66 N -1.30 6.32 0.16 8.08 1.04 -1.26 -1.99 113.70 124.76 1o5p s SER 66 Ca -0.14 0.34 -0.07 0.00 0.48 0.00 0.00 55.95 56.56 1o5p s SER 66 Cb -0.07 -1.98 -0.02 0.00 0.10 0.00 0.00 66.02 64.06 1o5p s SER 66 CO 0.02 0.27 0.24 -1.48 0.98 0.00 0.00 173.24 173.28 1o5p s LEU 67 N -1.86 1.09 -0.22 2.42 0.05 -0.21 -4.95 118.68 115.00 1o5p s LEU 67 Ca 0.26 -0.97 -0.14 0.00 0.05 0.00 0.00 54.13 53.33 1o5p s LEU 67 Cb -0.13 1.01 -0.04 0.00 -2.05 0.00 0.00 46.19 44.98 1o5p s LEU 67 CO 0.17 -0.87 0.31 0.42 -0.55 0.00 0.00 176.35 175.83 1o5p s THR 68 N -4.00 5.26 0.01 5.48 -4.23 -1.04 0.39 115.64 117.50 1o5p s THR 68 Ca 0.20 0.50 0.01 0.00 -1.18 0.00 0.00 61.69 61.22 1o5p s THR 68 Cb 0.04 -3.64 -0.01 0.00 1.34 0.00 0.00 72.50 70.23 1o5p s THR 68 CO 0.02 0.28 -0.03 0.68 -0.54 0.00 0.00 174.62 175.03 1o5p s VAL 69 N 1.26 0.17 0.00 2.29 -7.23 -0.84 -4.07 120.40 111.98 1o5p s VAL 69 Ca 0.15 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.97 1o5p s VAL 69 Cb -0.14 -0.20 0.00 0.00 0.56 0.00 0.00 36.38 36.60 1o5p s VAL 69 CO 0.07 -0.12 0.00 -2.11 -0.31 0.00 0.00 175.10 172.63 1o5p n ARG 70 N 2.58 0.00 0.00 4.82 1.85 -1.26 -4.19 116.66 120.45 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 -1.90 2.89 3.00 -1.26 -4.73 116.66 114.66 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 -0.51 -0.01 0.00 0.00 0.00 0.00 32.46 31.94 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 -1.25 6.50 -0.28 0.55 0.01 -1.26 -1.52 113.70 116.45 1o5p s SER 72 Ca 0.00 2.87 -0.20 0.00 1.31 0.00 0.00 55.95 59.94 1o5p s SER 72 Cb 0.00 -2.65 0.10 0.00 0.21 0.00 0.00 66.02 63.68 1o5p s SER 72 CO 0.00 -0.79 0.81 0.72 0.41 0.00 0.00 173.24 174.40 1o5p s PHE 73 N -0.56 -0.80 -0.28 2.43 -0.71 -0.76 -4.84 117.98 112.46 1o5p s PHE 73 Ca 0.56 1.72 -0.29 0.00 -1.04 0.00 0.00 56.93 57.89 1o5p s PHE 73 Cb -0.45 0.44 -0.13 0.00 -1.21 0.00 0.00 43.02 41.68 1o5p s PHE 73 CO 0.53 -0.39 0.96 0.39 -1.34 0.00 0.00 175.22 175.37 1o5p n GLU 74 N 3.45 0.00 -1.50 1.99 -0.58 -1.26 -1.91 120.64 120.83 1o5p n GLU 74 Ca -0.17 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.30 1o5p n GLU 74 Cb 0.57 -0.94 -0.05 0.00 -0.57 0.00 0.00 31.44 30.45 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 2.32 4.39 3.27 0.62 0.00 -0.47 -2.85 105.19 112.48 1o5p n GLY 75 Ca 0.19 -1.90 -0.60 0.00 0.00 0.00 0.00 46.02 43.71 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 0.80 1.38 -3.04 1.61 3.01 0.13 -2.24 117.46 119.12 1o5p n PHE 76 Ca 0.49 0.91 -0.40 0.00 1.01 0.00 0.00 57.45 59.45 1o5p n PHE 76 Cb 0.54 -2.10 -0.05 0.00 -0.01 0.00 0.00 39.48 37.86 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 4.06 4.21 -0.31 4.37 2.96 -0.69 -1.94 118.68 131.34 1o5p s LEU 77 Ca 1.04 1.05 -0.02 0.00 -0.22 0.00 0.00 54.13 55.97 1o5p s LEU 77 Cb -1.39 -3.04 -0.03 0.00 0.50 0.00 0.00 46.19 42.22 1o5p s LEU 77 CO 0.69 -0.25 1.42 0.33 -1.32 0.00 0.00 176.35 177.23 1o5p n PHE 78 N 4.63 0.47 -1.99 5.38 7.35 -1.22 -2.93 117.46 129.15 1o5p n PHE 78 Ca 0.00 -0.98 0.00 0.00 -0.76 0.00 0.00 57.45 55.72 1o5p n PHE 78 Cb 0.50 -0.98 0.00 0.00 0.35 0.00 0.00 39.48 39.35 1o5p n PHE 78 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1o5p n ASP 79 N 4.36 0.00 0.00 -2.13 9.92 -1.26 -4.98 116.55 122.46 1o5p n ASP 79 Ca 0.17 -1.08 0.00 0.00 -0.53 0.00 0.00 54.79 53.35 1o5p n ASP 79 Cb 0.08 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 1o5p n ASP 79 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1o5p n GLY 80 N 0.00 2.80 3.98 0.44 0.00 -1.15 -4.99 105.19 106.27 1o5p n GLY 80 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.24 4.13 -0.07 2.61 -4.23 -1.26 -4.97 115.64 110.61 1o5p s THR 81 Ca 0.00 -0.86 -0.01 0.00 -1.18 0.00 0.00 61.69 59.64 1o5p s THR 81 Cb 0.00 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.35 1o5p s THR 81 CO 0.00 -0.21 -0.02 0.00 -0.54 0.00 0.00 174.62 173.84 1o5p s ARG 82 N -4.27 2.89 0.27 3.99 1.70 -1.26 -1.71 118.95 120.57 1o5p s ARG 82 Ca 0.45 -0.47 0.20 0.00 -0.47 0.00 0.00 55.73 55.44 1o5p s ARG 82 Cb -0.10 -2.72 0.10 0.00 -0.57 0.00 0.00 34.95 31.67 1o5p s ARG 82 CO 0.33 0.69 1.29 2.35 -1.08 0.00 0.00 175.30 178.88 1o5p h TRP 83 N 5.13 0.00 0.00 5.89 7.01 -1.77 -3.45 115.95 128.76 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 1.18 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.24 1o5p h TRP 83 CO 0.61 0.23 0.00 0.41 -2.79 0.00 0.00 178.44 176.90 1o5p n GLY 84 N 1.20 1.56 3.61 2.65 0.00 -1.26 -4.94 105.19 108.02 1o5p n GLY 84 Ca 0.00 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.38 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 -1.49 3.24 -0.60 2.61 -4.23 -1.26 -1.36 115.64 112.54 1o5p s THR 85 Ca 0.00 0.25 -0.25 0.00 -1.18 0.00 0.00 61.69 60.51 1o5p s THR 85 Cb 0.00 -3.28 0.04 0.00 1.34 0.00 0.00 72.50 70.60 1o5p s THR 85 CO 0.00 -0.16 1.04 -0.69 -0.54 0.00 0.00 174.62 174.28 1o5p s VAL 86 N 6.98 4.21 -0.26 2.29 1.01 -0.80 -4.76 120.40 129.07 1o5p s VAL 86 Ca 0.89 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 62.88 1o5p s VAL 86 Cb -0.30 -4.66 -0.03 0.00 0.00 0.00 0.00 36.38 31.39 1o5p s VAL 86 CO 0.35 -1.33 1.84 -1.81 0.00 0.00 0.00 175.10 174.15 1o5p s ASP 87 N 3.15 5.96 0.00 3.32 1.11 -1.26 -1.83 116.67 127.12 1o5p s ASP 87 Ca 0.32 1.56 0.07 0.00 0.18 0.00 0.00 52.55 54.67 1o5p s ASP 87 Cb -0.12 -2.52 0.34 0.00 1.07 0.00 0.00 42.92 41.69 1o5p s ASP 87 CO 0.18 -1.61 1.05 0.00 1.18 0.00 0.00 175.17 175.97 1o5p n THR 89 N -1.26 0.01 -0.03 0.00 -2.24 -1.26 -4.06 114.28 105.44 1o5p n THR 89 Ca 0.03 -0.11 -0.06 0.00 -2.27 0.00 0.00 64.05 61.64 1o5p n THR 89 Cb 0.05 -0.05 -0.02 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 -0.46 0.35 -3.30 4.28 -2.24 -0.13 -5.07 114.28 107.72 1o5p n THR 90 Ca 0.21 -0.07 -0.18 0.00 -2.27 0.00 0.00 64.05 61.75 1o5p n THR 90 Cb 0.21 -1.58 0.04 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 -3.28 0.92 -3.09 6.98 0.00 -1.18 -5.09 120.51 115.78 1o5p n ALA 91 Ca -0.11 -1.77 -0.38 0.00 0.00 0.00 0.00 53.44 51.19 1o5p n ALA 91 Cb 0.56 0.57 -0.12 0.00 0.00 0.00 0.00 19.45 20.46 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 -2.60 3.13 -0.24 0.00 0.00 -1.26 -4.72 121.76 116.07 1o5p s ALA 92 Ca 0.42 -1.42 -0.13 0.00 0.00 0.00 0.00 51.96 50.83 1o5p s ALA 92 Cb -0.03 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 1o5p s ALA 92 CO 0.27 -0.89 0.29 0.00 0.00 0.00 0.00 175.76 175.42 1o5p s GLN 94 N 1.47 3.03 -0.38 0.00 -0.21 -0.73 -2.58 119.66 120.25 1o5p s GLN 94 Ca 0.13 -0.57 -0.12 0.00 0.02 0.00 0.00 55.36 54.81 1o5p s GLN 94 Cb -0.15 -2.82 0.03 0.00 1.00 0.00 0.00 33.01 31.07 1o5p s GLN 94 CO 0.08 0.60 0.23 0.08 -2.12 0.00 0.00 175.29 174.16 1o5p s VAL 95 N -1.33 4.76 0.10 1.09 1.01 0.13 -2.26 120.40 123.91 1o5p s VAL 95 Ca 0.28 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 1o5p s VAL 95 Cb -0.12 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1o5p s VAL 95 CO 0.20 -0.25 0.14 0.61 0.00 0.00 0.00 175.10 175.79 1o5p n GLY 96 N 5.04 2.86 3.85 4.51 0.00 -1.05 0.22 105.19 120.62 1o5p n GLY 96 Ca -0.12 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 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 2.41 0.01 0.99 1.02 -1.24 -2.13 118.68 119.74 1o5p s LEU 97 Ca 0.08 -1.50 -0.29 0.00 0.02 0.00 0.00 54.13 52.45 1o5p s LEU 97 Cb -0.00 -0.90 0.10 0.00 0.02 0.00 0.00 46.19 45.40 1o5p s LEU 97 CO 0.06 -1.06 0.94 -0.94 0.02 0.00 0.00 176.35 175.37 1o5p s SER 98 N -4.12 -0.30 0.00 2.29 1.04 -0.32 -4.29 113.70 108.00 1o5p s SER 98 Ca 0.17 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1o5p s SER 98 Cb -0.01 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1o5p s SER 98 CO 0.11 -0.64 0.00 -0.90 0.98 0.00 0.00 173.24 172.79 1o5p n ASP 99 N -0.28 0.88 -1.51 7.02 5.75 -1.21 0.23 116.55 127.43 1o5p n ASP 99 Ca -0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.57 1o5p n ASP 99 Cb 0.61 0.00 0.09 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 4.57 -0.00 2.12 0.00 -1.26 -4.65 120.51 118.28 1o5p n ALA 100 Ca 0.00 -3.59 -0.01 0.00 0.00 0.00 0.00 53.44 49.85 1o5p n ALA 100 Cb 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 19.45 19.05 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 1.98 0.00 0.00 0.00 -1.26 -5.02 120.51 115.33 1o5p n ALA 101 Ca 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1o5p n ALA 101 Cb 0.87 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.59 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 3.03 1.03 2.99 0.00 0.00 -1.26 -5.14 105.19 105.85 1o5p n GLY 102 Ca -0.02 -0.08 -0.08 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 -1.75 -0.38 1.61 5.03 -1.26 -4.99 115.26 113.51 1o5p n ASN 103 Ca 0.00 -2.32 0.00 0.00 0.87 0.00 0.00 54.58 53.13 1o5p n ASN 103 Cb 0.00 2.95 0.00 0.00 -1.02 0.00 0.00 39.78 41.71 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 2.04 2.98 7.41 0.00 -1.26 -3.36 105.19 112.56 1o5p n GLY 104 Ca -0.06 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.73 -2.00 1.61 -0.02 -1.26 -4.90 135.00 126.70 1o5p n PRO 105 Ca 0.00 -0.51 -0.14 0.00 -2.02 0.00 0.00 63.50 60.83 1o5p n PRO 105 Cb 0.00 -1.37 0.07 0.00 -0.02 0.00 0.00 33.50 32.17 1o5p n PRO 105 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1o5p n GLU 106 N -0.90 0.34 -4.47 -0.52 -0.58 -1.26 -4.59 120.64 108.66 1o5p n GLU 106 Ca 0.04 -1.84 -0.25 0.00 -0.42 0.00 0.00 57.16 54.69 1o5p n GLU 106 Cb 0.33 -0.34 -0.10 0.00 -0.57 0.00 0.00 31.44 30.76 1o5p n GLU 106 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1o5p s GLY 107 N -4.00 2.09 -0.18 0.62 0.00 -1.26 -3.69 107.32 100.91 1o5p s GLY 107 Ca 0.42 -2.01 -0.09 0.00 0.00 0.00 0.00 44.72 43.04 1o5p s GLY 107 CO 0.27 -1.98 0.12 0.14 0.00 0.00 0.00 173.10 171.66 1o5p s VAL 108 N -2.56 5.35 -0.02 1.40 1.01 0.13 -4.70 120.40 121.01 1o5p s VAL 108 Ca 0.33 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1o5p s VAL 108 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1o5p s VAL 108 CO 0.17 0.48 1.30 0.00 0.00 0.00 0.00 175.10 177.06 1o5p s ALA 109 N 0.04 3.53 0.50 5.51 0.00 -1.26 0.23 121.76 130.30 1o5p s ALA 109 Ca 0.09 0.76 0.06 0.00 0.00 0.00 0.00 51.96 52.87 1o5p s ALA 109 Cb -0.11 -3.55 0.04 0.00 0.00 0.00 0.00 23.12 19.49 1o5p s ALA 109 CO -0.00 -0.82 0.69 0.96 0.00 0.00 0.00 175.76 176.58 1o5p s ILE 110 N 2.25 2.71 0.07 0.00 -4.36 -1.07 -4.86 121.20 115.95 1o5p s ILE 110 Ca 0.60 -0.88 0.02 0.00 -0.26 0.00 0.00 60.65 60.12 1o5p s ILE 110 Cb -0.28 -2.83 -0.03 0.00 1.25 0.00 0.00 42.46 40.56 1o5p s ILE 110 CO 0.24 0.00 -0.06 -0.44 0.24 0.00 0.00 174.94 174.92 1o5p s SER 111 N -4.45 0.94 -0.52 4.36 0.01 0.18 -4.79 113.70 109.42 1o5p s SER 111 Ca 0.58 -0.83 0.07 0.00 1.31 0.00 0.00 55.95 57.07 1o5p s SER 111 Cb -0.09 0.09 0.28 0.00 0.21 0.00 0.00 66.02 66.51 1o5p s SER 111 CO 0.36 -0.39 0.73 0.49 0.41 0.00 0.00 173.24 174.84 1o5p n PHE 112 N 0.54 2.16 1.25 2.43 3.01 -1.26 -2.95 117.46 122.64 1o5p n PHE 112 Ca -0.16 -3.92 0.10 0.00 1.01 0.00 0.00 57.45 54.48 1o5p n PHE 112 Cb 0.59 -0.47 0.59 0.00 -0.01 0.00 0.00 39.48 40.18 1o5p n PHE 112 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04