#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sn5 h PRO 11 N 0.00 0.00 -3.48 0.00 0.13 -1.89 -3.42 132.00 123.34 1sn5 h PRO 11 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1sn5 h PRO 11 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 1sn5 h PRO 11 CO 0.00 0.08 -0.76 -1.17 -0.23 0.00 0.00 178.00 175.92 1sn5 s LEU 12 N -6.40 0.97 0.25 1.56 2.96 -1.26 -0.37 118.68 116.39 1sn5 s LEU 12 Ca 0.01 -0.70 0.11 0.00 -0.22 0.00 0.00 54.13 53.34 1sn5 s LEU 12 Cb 0.09 -0.52 -0.05 0.00 0.50 0.00 0.00 46.19 46.22 1sn5 s LEU 12 CO 0.58 -0.30 -0.21 -0.04 -1.32 0.00 0.00 176.35 175.07 1sn5 s MET 13 N 1.92 1.60 0.17 1.98 -1.94 0.36 -4.58 119.30 118.81 1sn5 s MET 13 Ca 0.00 -1.68 0.07 0.00 -1.71 0.00 0.00 55.69 52.37 1sn5 s MET 13 Cb -0.16 -1.74 -0.04 0.00 2.01 0.00 0.00 34.83 34.90 1sn5 s MET 13 CO -0.08 0.34 -0.13 0.14 -0.01 0.00 0.00 175.02 175.28 1sn5 s VAL 14 N -2.29 1.52 -0.26 -6.03 -7.23 -1.26 -0.56 120.40 104.30 1sn5 s VAL 14 Ca 0.26 -2.09 -0.02 0.00 -1.81 0.00 0.00 61.98 58.33 1sn5 s VAL 14 Cb -0.06 -1.91 0.12 0.00 0.56 0.00 0.00 36.38 35.10 1sn5 s VAL 14 CO 0.13 -0.60 0.29 -0.75 -0.31 0.00 0.00 175.10 173.85 1sn5 s LYS 15 N -3.50 0.29 -0.18 4.82 2.47 -0.50 -4.34 119.74 118.79 1sn5 s LYS 15 Ca 0.19 0.06 -0.06 0.00 -1.56 0.00 0.00 55.97 54.59 1sn5 s LYS 15 Cb -0.01 -0.78 -0.04 0.00 -1.46 0.00 0.00 37.83 35.55 1sn5 s LYS 15 CO 0.04 -0.87 0.03 0.42 0.16 0.00 0.00 175.35 175.14 1sn5 s ILE 16 N 2.38 4.46 0.00 5.43 1.01 -0.11 -0.95 121.20 133.42 1sn5 s ILE 16 Ca 0.09 -0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.65 1sn5 s ILE 16 Cb -0.15 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 1sn5 s ILE 16 CO -0.25 0.46 -0.18 -0.76 0.00 0.00 0.00 174.94 174.21 1sn5 s LEU 17 N 0.51 2.58 -0.39 2.97 1.43 0.74 -0.60 118.68 125.91 1sn5 s LEU 17 Ca 0.01 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.59 1sn5 s LEU 17 Cb -0.13 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.59 1sn5 s LEU 17 CO 0.01 0.29 0.40 -0.62 0.23 0.00 0.00 176.35 176.67 1sn5 s ASP 18 N -1.10 6.18 0.00 2.29 -1.08 0.28 -0.15 116.67 123.09 1sn5 s ASP 18 Ca 0.13 -0.56 0.28 0.00 -0.52 0.00 0.00 52.55 51.88 1sn5 s ASP 18 Cb -0.10 -2.21 1.39 0.00 -1.46 0.00 0.00 42.92 40.54 1sn5 s ASP 18 CO 0.03 -0.49 1.95 0.00 0.52 0.00 0.00 175.17 177.18 1sn5 n ALA 19 N 5.49 2.37 -0.11 3.66 0.00 0.38 -1.13 120.51 131.18 1sn5 n ALA 19 Ca -0.08 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 1sn5 n ALA 19 Cb 0.48 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.37 1sn5 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sn5 n VAL 20 N -1.30 1.52 0.18 0.00 0.31 -1.26 -4.51 118.33 113.27 1sn5 n VAL 20 Ca 0.13 -0.04 0.12 0.00 -0.01 0.00 0.00 64.34 64.53 1sn5 n VAL 20 Cb 0.23 -2.06 0.09 0.00 -0.91 0.00 0.00 33.84 31.19 1sn5 n VAL 20 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1sn5 h LYS 21 N -1.00 0.00 -3.35 5.55 1.57 -1.94 -3.48 116.57 113.92 1sn5 h LYS 21 Ca -0.36 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.23 1sn5 h LYS 21 Cb 1.27 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.65 1sn5 h LYS 21 CO -0.22 0.00 -0.33 0.41 -0.57 0.00 0.00 179.45 178.74 1sn5 n GLY 22 N 1.15 0.23 3.19 3.86 0.00 -0.28 -5.05 105.19 108.29 1sn5 n GLY 22 Ca 0.02 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1sn5 n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sn5 s THR 23 N -3.15 0.07 0.72 2.61 -4.23 -1.20 -5.01 115.64 105.45 1sn5 s THR 23 Ca 0.28 -1.97 -0.14 0.00 -1.18 0.00 0.00 61.69 58.68 1sn5 s THR 23 Cb -0.12 -2.35 0.04 0.00 1.34 0.00 0.00 72.50 71.41 1sn5 s THR 23 CO 0.35 -0.16 1.17 -2.84 -0.54 0.00 0.00 174.62 172.60 1sn5 s PRO 24 N -4.11 2.25 -0.56 3.99 0.02 -1.26 -0.55 135.00 134.78 1sn5 s PRO 24 Ca 0.34 1.61 -0.23 0.00 0.02 0.00 0.00 61.00 62.74 1sn5 s PRO 24 Cb 0.07 -1.86 0.05 0.00 0.02 0.00 0.00 34.50 32.78 1sn5 s PRO 24 CO 0.09 -1.71 0.90 0.00 -0.33 0.00 0.00 177.00 175.94 1sn5 s ALA 25 N -2.17 3.19 0.44 -1.55 0.00 0.23 -4.52 121.76 117.37 1sn5 s ALA 25 Ca 0.71 -1.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.18 1sn5 s ALA 25 Cb -0.26 -3.69 -0.07 0.00 0.00 0.00 0.00 23.12 19.10 1sn5 s ALA 25 CO 0.45 -2.37 0.83 0.20 0.00 0.00 0.00 175.76 174.87 1sn5 s GLY 26 N 2.91 1.96 -1.74 0.00 0.00 -1.26 -4.13 107.32 105.06 1sn5 s GLY 26 Ca 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.88 1sn5 s GLY 26 CO 0.17 0.11 0.11 1.44 0.00 0.00 0.00 173.10 174.93 1sn5 n SER 27 N -1.43 -5.96 -4.68 1.64 7.64 -0.38 -4.93 113.62 105.53 1sn5 n SER 27 Ca 0.03 -0.07 -0.41 0.00 1.01 0.00 0.00 58.87 59.44 1sn5 n SER 27 Cb 0.54 -4.93 -0.05 0.00 -1.01 0.00 0.00 64.21 58.77 1sn5 n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1sn5 s VAL 28 N -3.07 4.96 0.19 0.44 1.01 -1.26 -4.75 120.40 117.92 1sn5 s VAL 28 Ca 0.06 1.46 -0.28 0.00 0.00 0.00 0.00 61.98 63.22 1sn5 s VAL 28 Cb -0.02 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 1sn5 s VAL 28 CO 0.07 0.10 0.87 0.00 0.00 0.00 0.00 175.10 176.14 1sn5 s ALA 29 N 1.78 3.38 0.12 5.51 0.00 -1.26 -1.12 121.76 130.16 1sn5 s ALA 29 Ca 0.35 0.50 -0.03 0.00 0.00 0.00 0.00 51.96 52.78 1sn5 s ALA 29 Cb -0.17 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1sn5 s ALA 29 CO 0.13 0.22 0.10 -0.48 0.00 0.00 0.00 175.76 175.72 1sn5 s LEU 30 N -1.01 1.73 -0.02 0.00 0.05 0.29 -0.22 118.68 119.51 1sn5 s LEU 30 Ca 0.39 -1.04 -0.03 0.00 0.05 0.00 0.00 54.13 53.50 1sn5 s LEU 30 Cb -0.24 0.53 0.00 0.00 -2.05 0.00 0.00 46.19 44.43 1sn5 s LEU 30 CO 0.29 -0.73 0.08 -1.59 -0.55 0.00 0.00 176.35 173.85 1sn5 s LYS 31 N -3.98 0.21 -0.15 1.48 -2.85 -0.34 -1.49 119.74 112.62 1sn5 s LYS 31 Ca 0.17 -0.10 -0.00 0.00 -1.00 0.00 0.00 55.97 55.04 1sn5 s LYS 31 Cb 0.06 0.09 -0.01 0.00 -2.06 0.00 0.00 37.83 35.92 1sn5 s LYS 31 CO -0.02 -0.04 -0.14 0.08 0.10 0.00 0.00 175.35 175.33 1sn5 s VAL 32 N -0.48 2.88 0.11 1.79 1.01 0.58 -1.02 120.40 125.27 1sn5 s VAL 32 Ca -0.05 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.30 1sn5 s VAL 32 Cb -0.04 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1sn5 s VAL 32 CO 0.00 0.51 -0.21 -0.44 0.00 0.00 0.00 175.10 174.97 1sn5 s SER 33 N 0.62 2.61 -0.08 3.32 0.01 -0.03 -0.53 113.70 119.62 1sn5 s SER 33 Ca -0.08 -0.71 0.03 0.00 1.31 0.00 0.00 55.95 56.50 1sn5 s SER 33 Cb -0.16 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 1sn5 s SER 33 CO 0.03 0.06 -0.17 -1.58 0.41 0.00 0.00 173.24 171.98 1sn5 s GLN 34 N -2.01 2.86 0.20 12.44 0.74 0.81 -0.75 119.66 133.95 1sn5 s GLN 34 Ca 0.08 -0.75 -0.30 0.00 0.05 0.00 0.00 55.36 54.43 1sn5 s GLN 34 Cb -0.10 -2.41 -0.09 0.00 1.10 0.00 0.00 33.01 31.51 1sn5 s GLN 34 CO 0.05 0.39 1.39 0.21 -0.55 0.00 0.00 175.29 176.77 1sn5 s LYS 35 N -0.14 4.32 0.55 1.67 2.20 0.16 -0.19 119.74 128.31 1sn5 s LYS 35 Ca -0.02 2.16 0.04 0.00 -0.36 0.00 0.00 55.97 57.80 1sn5 s LYS 35 Cb -0.14 -3.17 0.05 0.00 -1.51 0.00 0.00 37.83 33.07 1sn5 s LYS 35 CO 0.04 -0.37 0.77 0.95 -0.36 0.00 0.00 175.35 176.38 1sn5 s THR 36 N 0.32 2.56 0.39 3.43 -4.23 0.67 -4.73 115.64 114.04 1sn5 s THR 36 Ca 0.60 -0.80 0.07 0.00 -1.18 0.00 0.00 61.69 60.38 1sn5 s THR 36 Cb -0.39 -2.76 0.29 0.00 1.34 0.00 0.00 72.50 70.98 1sn5 s THR 36 CO 0.38 0.00 2.00 0.00 -0.54 0.00 0.00 174.62 176.45 1sn5 h ALA 37 N 0.13 1.74 -0.03 3.99 0.00 -1.95 -0.33 119.26 122.80 1sn5 h ALA 37 Ca -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1sn5 h ALA 37 Cb 1.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1sn5 h ALA 37 CO 0.46 0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 1sn5 n ASP 38 N -4.47 0.36 0.00 0.00 5.68 -1.26 -4.88 116.55 111.98 1sn5 n ASP 38 Ca 0.08 -1.46 0.00 0.00 -0.50 0.00 0.00 54.79 52.91 1sn5 n ASP 38 Cb 0.19 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1sn5 n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sn5 n GLY 39 N 0.88 0.81 2.19 6.12 0.00 -0.13 -5.06 105.19 110.00 1sn5 n GLY 39 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 1sn5 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sn5 n GLY 40 N -2.00 -0.68 3.27 -0.02 0.00 -1.26 -4.72 105.19 99.78 1sn5 n GLY 40 Ca 0.00 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 1sn5 n GLY 40 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sn5 s TRP 41 N -2.32 2.45 -0.12 1.61 0.52 -1.26 -0.24 118.94 119.57 1sn5 s TRP 41 Ca 0.41 -0.72 0.03 0.00 0.02 0.00 0.00 56.10 55.84 1sn5 s TRP 41 Cb -0.01 -1.60 0.01 0.00 -1.15 0.00 0.00 33.47 30.71 1sn5 s TRP 41 CO 0.28 -0.21 -0.22 -0.08 0.02 0.00 0.00 176.95 176.74 1sn5 s THR 42 N -0.17 2.02 -0.05 2.01 -1.32 0.74 -4.91 115.64 113.97 1sn5 s THR 42 Ca -0.03 -0.97 -0.30 0.00 -1.21 0.00 0.00 61.69 59.17 1sn5 s THR 42 Cb -0.14 -1.78 -0.03 0.00 -1.51 0.00 0.00 72.50 69.04 1sn5 s THR 42 CO 0.04 0.55 1.21 -1.58 -2.21 0.00 0.00 174.62 172.62 1sn5 s GLN 43 N 0.65 4.35 -0.00 7.08 0.74 -1.26 -0.13 119.66 131.09 1sn5 s GLN 43 Ca -0.11 1.69 0.07 0.00 0.05 0.00 0.00 55.36 57.06 1sn5 s GLN 43 Cb -0.16 -3.55 -0.08 0.00 1.10 0.00 0.00 33.01 30.32 1sn5 s GLN 43 CO 0.02 -0.44 0.26 0.44 -0.55 0.00 0.00 175.29 175.01 1sn5 n ILE 44 N 4.58 0.00 -3.57 -2.34 -5.35 0.31 -4.95 119.36 108.04 1sn5 n ILE 44 Ca 0.11 -0.29 -0.12 0.00 -0.27 0.00 0.00 62.75 62.18 1sn5 n ILE 44 Cb 0.46 0.83 -0.05 0.00 -1.74 0.00 0.00 39.64 39.14 1sn5 n ILE 44 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sn5 s ALA 45 N -1.86 -1.90 0.23 -1.28 0.00 -1.10 -5.00 121.76 110.85 1sn5 s ALA 45 Ca 0.01 1.53 0.02 0.00 0.00 0.00 0.00 51.96 53.52 1sn5 s ALA 45 Cb 0.05 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.56 1sn5 s ALA 45 CO 0.28 -0.33 0.06 0.95 0.00 0.00 0.00 175.76 176.72 1sn5 s THR 46 N -1.16 0.65 0.00 0.00 -4.23 -1.26 -0.30 115.64 109.33 1sn5 s THR 46 Ca -0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 1sn5 s THR 46 Cb -0.00 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1sn5 s THR 46 CO 0.03 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 1sn5 n GLY 47 N -0.39 -0.71 2.83 3.99 0.00 -0.56 -4.98 105.19 105.38 1sn5 n GLY 47 Ca -0.03 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 1sn5 n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sn5 s VAL 48 N -2.00 0.07 0.56 1.61 1.01 -1.26 -0.55 120.40 119.85 1sn5 s VAL 48 Ca 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.86 1sn5 s VAL 48 Cb 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.19 1sn5 s VAL 48 CO 0.00 0.08 1.16 0.42 0.00 0.00 0.00 175.10 176.76 1sn5 s THR 49 N 0.61 2.94 0.47 3.92 -4.23 -0.28 -4.78 115.64 114.28 1sn5 s THR 49 Ca -0.05 0.59 -0.04 0.00 -1.18 0.00 0.00 61.69 61.00 1sn5 s THR 49 Cb -0.08 -3.24 0.10 0.00 1.34 0.00 0.00 72.50 70.62 1sn5 s THR 49 CO -0.01 -0.12 0.64 -0.90 -0.54 0.00 0.00 174.62 173.68 1sn5 n ASP 50 N -1.40 0.43 0.26 3.99 5.68 0.44 -1.25 116.55 124.71 1sn5 n ASP 50 Ca 0.12 -1.47 0.18 0.00 -0.50 0.00 0.00 54.79 53.13 1sn5 n ASP 50 Cb 0.50 -0.45 0.90 0.00 -1.14 0.00 0.00 41.12 40.93 1sn5 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sn5 h ALA 51 N -1.15 1.00 -0.18 2.12 0.00 -1.91 0.77 119.26 119.90 1sn5 h ALA 51 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1sn5 h ALA 51 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1sn5 h ALA 51 CO 0.18 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.68 1sn5 n THR 52 N -2.78 0.23 -1.69 0.00 -2.24 -1.26 -4.60 114.28 101.94 1sn5 n THR 52 Ca -0.02 -0.37 -0.09 0.00 -2.27 0.00 0.00 64.05 61.31 1sn5 n THR 52 Cb 0.11 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 1sn5 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sn5 n GLY 53 N 1.14 0.57 3.53 3.38 0.00 0.26 -4.72 105.19 109.35 1sn5 n GLY 53 Ca 0.16 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 1sn5 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sn5 s GLU 54 N -3.56 1.78 -0.12 1.61 2.02 -1.26 -0.94 118.70 118.24 1sn5 s GLU 54 Ca 0.00 -1.97 -0.02 0.00 0.02 0.00 0.00 54.97 53.00 1sn5 s GLU 54 Cb 0.00 -1.38 0.04 0.00 0.10 0.00 0.00 34.13 32.89 1sn5 s GLU 54 CO 0.00 -0.03 0.01 0.42 0.02 0.00 0.00 175.26 175.68 1sn5 s ILE 55 N -2.89 0.45 0.26 -1.63 1.01 -1.26 -0.42 121.20 116.73 1sn5 s ILE 55 Ca 0.34 -0.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.67 1sn5 s ILE 55 Cb 0.07 -0.75 -0.08 0.00 0.01 0.00 0.00 42.46 41.71 1sn5 s ILE 55 CO 0.16 0.07 0.68 -1.00 0.00 0.00 0.00 174.94 174.85 1sn5 s HIS 56 N 1.92 3.47 -1.42 3.97 3.76 -1.26 -4.24 115.29 121.49 1sn5 s HIS 56 Ca 0.03 1.18 -0.05 0.00 -0.15 0.00 0.00 55.06 56.07 1sn5 s HIS 56 Cb -0.14 -2.49 0.03 0.00 1.11 0.00 0.00 32.58 31.09 1sn5 s HIS 56 CO -0.07 0.22 0.69 0.09 -0.85 0.00 0.00 174.74 174.82 1sn5 n ASN 57 N 0.06 -1.90 0.13 1.40 3.02 -1.26 -4.90 115.26 111.81 1sn5 n ASN 57 Ca 0.01 -0.88 -0.14 0.00 -0.03 0.00 0.00 54.58 53.54 1sn5 n ASN 57 Cb 0.52 -3.62 -0.08 0.00 -0.61 0.00 0.00 39.78 36.00 1sn5 n ASN 57 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1sn5 h LEU 58 N -1.88 -0.23 -8.32 3.41 5.85 -1.81 -3.46 115.31 108.87 1sn5 h LEU 58 Ca -0.61 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 57.91 1sn5 h LEU 58 Cb 1.37 0.06 -0.13 0.00 0.37 0.00 0.00 40.66 42.33 1sn5 h LEU 58 CO 0.62 -0.09 -0.41 0.27 -0.34 0.00 0.00 178.44 178.50 1sn5 s ILE 59 N -5.80 0.04 0.40 4.05 -4.36 -1.26 -4.86 121.20 109.40 1sn5 s ILE 59 Ca -0.15 -1.65 0.08 0.00 -0.26 0.00 0.00 60.65 58.67 1sn5 s ILE 59 Cb 0.04 -2.15 -0.01 0.00 1.25 0.00 0.00 42.46 41.60 1sn5 s ILE 59 CO 0.64 -0.16 0.47 0.42 0.24 0.00 0.00 174.94 176.54 1sn5 s THR 60 N -4.05 3.14 0.23 8.37 -4.23 -1.26 -4.48 115.64 113.37 1sn5 s THR 60 Ca 0.26 -1.14 -0.06 0.00 -1.18 0.00 0.00 61.69 59.57 1sn5 s THR 60 Cb 0.04 -3.09 0.19 0.00 1.34 0.00 0.00 72.50 70.98 1sn5 s THR 60 CO 0.06 -0.05 1.80 -0.33 -0.54 0.00 0.00 174.62 175.57 1sn5 h GLU 61 N 0.86 0.71 -0.20 3.99 5.08 -1.98 -1.67 114.58 121.37 1sn5 h GLU 61 Ca -0.42 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1sn5 h GLU 61 Cb 1.27 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1sn5 h GLU 61 CO 0.51 0.47 0.08 1.96 -1.00 0.00 0.00 179.01 181.03 1sn5 h GLN 62 N 0.73 0.27 -0.01 2.33 1.08 -2.03 -1.12 115.11 116.35 1sn5 h GLN 62 Ca 0.37 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 1sn5 h GLN 62 Cb 0.32 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1sn5 h GLN 62 CO -0.24 0.23 0.00 1.04 -0.95 0.00 0.00 178.83 178.91 1sn5 n GLN 63 N -4.45 1.15 -3.06 1.46 6.02 -0.64 -4.37 117.38 113.48 1sn5 n GLN 63 Ca -0.00 -0.21 -0.24 0.00 -0.01 0.00 0.00 57.00 56.54 1sn5 n GLN 63 Cb 0.12 -1.43 -0.04 0.00 1.02 0.00 0.00 30.24 29.91 1sn5 n GLN 63 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1sn5 n PHE 64 N -0.68 2.51 -1.40 1.08 7.35 -0.42 -4.92 117.46 120.98 1sn5 n PHE 64 Ca 0.20 -3.93 -0.31 0.00 -0.76 0.00 0.00 57.45 52.65 1sn5 n PHE 64 Cb 0.15 -0.46 0.08 0.00 0.35 0.00 0.00 39.48 39.60 1sn5 n PHE 64 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1sn5 s PRO 65 N -2.97 2.31 0.49 -7.13 0.04 -1.26 -4.74 135.00 121.75 1sn5 s PRO 65 Ca 0.45 0.96 -0.22 0.00 0.04 0.00 0.00 61.00 62.23 1sn5 s PRO 65 Cb 0.29 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.83 1sn5 s PRO 65 CO -0.11 -1.54 0.99 0.00 0.04 0.00 0.00 177.00 176.37 1sn5 n ALA 66 N -3.43 0.21 0.00 8.56 0.00 -1.26 -4.90 120.51 119.69 1sn5 n ALA 66 Ca 0.08 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1sn5 n ALA 66 Cb 0.54 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.90 1sn5 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sn5 n GLY 67 N 1.22 -2.37 3.71 0.00 0.00 -1.11 -4.98 105.19 101.67 1sn5 n GLY 67 Ca 0.11 -1.39 -0.38 0.00 0.00 0.00 0.00 46.02 44.35 1sn5 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sn5 s VAL 68 N -1.97 5.17 0.12 1.61 1.01 -1.26 0.10 120.40 125.18 1sn5 s VAL 68 Ca 0.00 0.98 0.10 0.00 0.00 0.00 0.00 61.98 63.07 1sn5 s VAL 68 Cb 0.00 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1sn5 s VAL 68 CO 0.00 0.30 -0.26 -0.31 0.00 0.00 0.00 175.10 174.83 1sn5 s TYR 69 N 0.76 2.21 -0.13 5.22 1.51 0.23 -0.67 117.35 126.49 1sn5 s TYR 69 Ca 0.26 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1sn5 s TYR 69 Cb -0.15 -1.21 0.03 0.00 -0.11 0.00 0.00 41.96 40.51 1sn5 s TYR 69 CO 0.11 0.30 -0.08 0.50 -1.11 0.00 0.00 175.55 175.26 1sn5 s ARG 70 N -1.96 1.64 -0.21 -0.62 3.00 0.07 -1.12 118.95 119.75 1sn5 s ARG 70 Ca 0.12 -0.34 -0.05 0.00 -1.00 0.00 0.00 55.73 54.46 1sn5 s ARG 70 Cb -0.10 -1.74 -0.02 0.00 0.00 0.00 0.00 34.95 33.09 1sn5 s ARG 70 CO 0.05 -0.29 -0.00 0.08 0.00 0.00 0.00 175.30 175.14 1sn5 s VAL 71 N 1.66 3.83 -0.16 7.11 1.01 -0.08 -0.85 120.40 132.92 1sn5 s VAL 71 Ca 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1sn5 s VAL 71 Cb -0.13 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1sn5 s VAL 71 CO -0.09 0.41 -0.11 -0.70 0.00 0.00 0.00 175.10 174.61 1sn5 s GLU 72 N 1.23 3.33 -0.13 2.72 2.12 -0.19 -1.27 118.70 126.52 1sn5 s GLU 72 Ca 0.03 -0.69 -0.02 0.00 0.36 0.00 0.00 54.97 54.66 1sn5 s GLU 72 Cb -0.15 -2.74 -0.02 0.00 0.26 0.00 0.00 34.13 31.48 1sn5 s GLU 72 CO 0.01 0.04 -0.07 -0.06 -0.54 0.00 0.00 175.26 174.63 1sn5 s PHE 73 N 0.81 2.94 -1.35 5.30 0.40 0.01 -1.19 117.98 124.90 1sn5 s PHE 73 Ca -0.04 -0.32 -0.12 0.00 -0.60 0.00 0.00 56.93 55.85 1sn5 s PHE 73 Cb -0.15 -1.86 0.11 0.00 0.51 0.00 0.00 43.02 41.63 1sn5 s PHE 73 CO 0.01 0.00 1.97 -3.47 0.70 0.00 0.00 175.22 174.43 1sn5 n ASP 74 N 3.21 4.62 0.17 1.36 -0.08 0.69 -1.38 116.55 125.14 1sn5 n ASP 74 Ca -0.18 -2.99 0.04 0.00 -1.51 0.00 0.00 54.79 50.16 1sn5 n ASP 74 Cb 0.53 -1.57 0.29 0.00 2.34 0.00 0.00 41.12 42.70 1sn5 n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1sn5 h THR 75 N 4.01 1.00 -0.51 5.18 1.35 -1.85 -2.77 112.91 119.31 1sn5 h THR 75 Ca 0.46 -1.68 -0.02 0.00 -0.55 0.00 0.00 66.41 64.61 1sn5 h THR 75 Cb 0.66 2.00 -0.02 0.00 -1.73 0.00 0.00 68.15 69.06 1sn5 h THR 75 CO 1.69 0.42 0.23 0.50 -0.25 0.00 0.00 175.52 178.11 1sn5 h LYS 76 N 0.00 0.75 -0.44 4.72 3.64 -1.75 -1.65 116.57 121.85 1sn5 h LYS 76 Ca -0.00 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.13 1sn5 h LYS 76 Cb 0.96 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1sn5 h LYS 76 CO 0.06 0.65 -0.22 0.00 -2.27 0.00 0.00 179.45 177.66 1sn5 h ALA 77 N 1.07 0.78 0.01 5.00 0.00 -1.86 -1.59 119.26 122.67 1sn5 h ALA 77 Ca 0.17 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1sn5 h ALA 77 Cb 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1sn5 h ALA 77 CO -0.02 0.66 -0.25 -0.92 0.00 0.00 0.00 179.25 178.72 1sn5 h TYR 78 N 0.77 -0.67 -0.49 0.00 3.20 -1.20 0.23 116.97 118.81 1sn5 h TYR 78 Ca 0.10 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 1sn5 h TYR 78 Cb 0.77 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 1sn5 h TYR 78 CO 0.05 -0.34 -0.13 -1.49 -1.64 0.00 0.00 178.16 174.60 1sn5 h TRP 79 N -0.39 1.03 -0.45 -3.82 4.06 -1.20 -2.00 115.95 113.18 1sn5 h TRP 79 Ca 0.06 -0.21 0.01 0.00 2.06 0.00 0.00 58.89 60.81 1sn5 h TRP 79 Cb 0.47 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 28.35 1sn5 h TRP 79 CO -0.28 0.99 0.29 1.15 -3.56 0.00 0.00 178.44 177.02 1sn5 h THR 80 N 0.82 1.08 0.00 1.49 2.02 -1.09 0.86 112.91 118.09 1sn5 h THR 80 Ca 0.13 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1sn5 h THR 80 Cb 0.67 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1sn5 h THR 80 CO 0.05 0.11 -0.12 -1.13 0.37 0.00 0.00 175.52 174.80 1sn5 h ASN 81 N 0.58 0.00 0.65 4.18 -0.73 -0.73 -1.62 115.58 117.92 1sn5 h ASN 81 Ca 0.17 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1sn5 h ASN 81 Cb -0.03 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.56 1sn5 h ASN 81 CO -0.06 0.12 -0.06 0.00 -0.37 0.00 0.00 177.43 177.06 1sn5 n GLN 82 N -3.64 0.31 -0.92 6.67 1.13 -0.32 -4.89 117.38 115.73 1sn5 n GLN 82 Ca -0.02 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 54.99 1sn5 n GLN 82 Cb 0.24 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.09 1sn5 n GLN 82 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sn5 n GLY 83 N 1.37 0.43 3.90 1.08 0.00 -0.61 -5.06 105.19 106.31 1sn5 n GLY 83 Ca 0.11 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 1sn5 n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sn5 s SER 84 N -2.89 5.03 -0.32 1.61 0.15 0.14 -5.01 113.70 112.42 1sn5 s SER 84 Ca 0.00 -0.80 -0.04 0.00 0.70 0.00 0.00 55.95 55.81 1sn5 s SER 84 Cb 0.00 -0.37 0.05 0.00 -1.71 0.00 0.00 66.02 63.99 1sn5 s SER 84 CO 0.00 -0.78 0.05 -0.89 1.20 0.00 0.00 173.24 172.82 1sn5 s THR 85 N -2.52 3.31 0.29 6.45 2.01 -1.26 -4.11 115.64 119.80 1sn5 s THR 85 Ca 0.48 -1.31 -0.04 0.00 0.31 0.00 0.00 61.69 61.13 1sn5 s THR 85 Cb -0.04 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1sn5 s THR 85 CO 0.28 -0.16 0.54 -2.16 -0.69 0.00 0.00 174.62 172.43 1sn5 s PRO 86 N 1.31 3.60 -0.16 4.92 0.04 -1.26 -4.70 135.00 138.75 1sn5 s PRO 86 Ca -0.03 -0.07 -0.15 0.00 0.04 0.00 0.00 61.00 60.79 1sn5 s PRO 86 Cb -0.20 -2.67 -0.12 0.00 0.04 0.00 0.00 34.50 31.56 1sn5 s PRO 86 CO 0.00 0.22 0.14 0.35 0.04 0.00 0.00 177.00 177.75 1sn5 h PHE 87 N 1.61 0.00 -3.90 0.56 3.57 -1.41 -3.48 116.94 113.88 1sn5 h PHE 87 Ca -0.48 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.53 1sn5 h PHE 87 Cb 1.19 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.95 1sn5 h PHE 87 CO 0.57 0.65 0.42 -1.01 -2.23 0.00 0.00 178.31 176.71 1sn5 s HIS 88 N -2.15 3.43 0.25 0.41 3.76 -1.26 -4.94 115.29 114.79 1sn5 s HIS 88 Ca -0.17 1.69 0.06 0.00 -0.15 0.00 0.00 55.06 56.49 1sn5 s HIS 88 Cb 0.02 -3.15 0.30 0.00 1.11 0.00 0.00 32.58 30.86 1sn5 s HIS 88 CO 0.38 -0.48 1.59 0.93 -0.85 0.00 0.00 174.74 176.31 1sn5 h GLU 89 N 3.04 0.16 -2.49 1.40 4.39 -1.98 -3.38 114.58 115.72 1sn5 h GLU 89 Ca -0.47 -0.11 0.08 0.00 0.34 0.00 0.00 59.36 59.19 1sn5 h GLU 89 Cb 1.21 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 29.74 1sn5 h GLU 89 CO 0.64 0.71 0.41 0.54 -1.16 0.00 0.00 179.01 180.15 1sn5 s VAL 90 N -3.75 0.00 -0.19 3.13 0.11 -1.26 -4.17 120.40 114.26 1sn5 s VAL 90 Ca -0.03 -0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 58.93 1sn5 s VAL 90 Cb 0.12 -1.05 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1sn5 s VAL 90 CO 0.78 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.56 1sn5 s ALA 91 N -3.31 3.07 -0.08 1.54 0.00 -0.48 -4.92 121.76 117.59 1sn5 s ALA 91 Ca 0.04 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.12 1sn5 s ALA 91 Cb -0.01 -1.76 -0.01 0.00 0.00 0.00 0.00 23.12 21.34 1sn5 s ALA 91 CO -0.09 -0.06 -0.24 -1.21 0.00 0.00 0.00 175.76 174.15 1sn5 s GLU 92 N 0.83 2.75 -0.25 0.00 2.02 -1.26 -0.81 118.70 121.99 1sn5 s GLU 92 Ca 0.01 -0.88 0.01 0.00 0.02 0.00 0.00 54.97 54.13 1sn5 s GLU 92 Cb -0.14 -2.20 0.06 0.00 0.10 0.00 0.00 34.13 31.95 1sn5 s GLU 92 CO 0.02 0.28 -0.05 0.08 0.02 0.00 0.00 175.26 175.61 1sn5 s VAL 93 N 0.08 1.64 -0.12 2.63 1.01 -0.40 -4.99 120.40 120.25 1sn5 s VAL 93 Ca -0.11 -1.36 0.03 0.00 0.00 0.00 0.00 61.98 60.54 1sn5 s VAL 93 Cb -0.16 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1sn5 s VAL 93 CO 0.06 -0.15 -0.21 -0.69 0.00 0.00 0.00 175.10 174.11 1sn5 s VAL 94 N 1.33 2.24 -0.00 2.92 1.01 -1.26 -0.90 120.40 125.74 1sn5 s VAL 94 Ca -0.05 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.77 1sn5 s VAL 94 Cb -0.19 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.35 1sn5 s VAL 94 CO -0.07 0.55 0.50 0.72 0.00 0.00 0.00 175.10 176.80 1sn5 s PHE 95 N 0.52 -0.42 -0.39 5.22 -0.71 -0.27 -5.00 117.98 116.93 1sn5 s PHE 95 Ca -0.13 0.60 -0.25 0.00 -1.04 0.00 0.00 56.93 56.11 1sn5 s PHE 95 Cb -0.17 0.28 0.02 0.00 -1.21 0.00 0.00 43.02 41.94 1sn5 s PHE 95 CO 0.05 -0.56 0.91 0.34 -1.34 0.00 0.00 175.22 174.61 1sn5 s ASP 96 N -1.55 6.61 0.12 1.98 2.15 -1.26 -0.60 116.67 124.12 1sn5 s ASP 96 Ca -0.09 0.43 -0.27 0.00 0.43 0.00 0.00 52.55 53.04 1sn5 s ASP 96 Cb -0.02 -2.45 -0.07 0.00 -0.30 0.00 0.00 42.92 40.09 1sn5 s ASP 96 CO 0.04 -0.89 0.84 0.00 -0.17 0.00 0.00 175.17 174.98 1sn5 s ALA 97 N 3.50 3.36 -0.52 3.66 0.00 0.12 -4.92 121.76 126.95 1sn5 s ALA 97 Ca 0.37 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.78 1sn5 s ALA 97 Cb -0.12 -3.08 0.15 0.00 0.00 0.00 0.00 23.12 20.07 1sn5 s ALA 97 CO 0.20 0.13 0.33 -1.01 0.00 0.00 0.00 175.76 175.41 1sn5 s HIS 98 N -0.50 2.45 -1.62 0.00 0.09 -1.26 -2.74 115.29 111.70 1sn5 s HIS 98 Ca 0.40 -2.77 0.30 0.00 -0.00 0.00 0.00 55.06 52.99 1sn5 s HIS 98 Cb -0.23 -2.09 1.49 0.00 -0.00 0.00 0.00 32.58 31.75 1sn5 s HIS 98 CO 0.27 -0.72 2.02 -0.35 -0.00 0.00 0.00 174.74 175.96 1sn5 n PRO 99 N 2.94 0.64 -1.84 8.40 -0.04 -1.26 -4.68 135.00 139.15 1sn5 n PRO 99 Ca 0.14 -0.09 -0.37 0.00 -0.04 0.00 0.00 63.50 63.14 1sn5 n PRO 99 Cb 0.36 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.37 1sn5 n PRO 99 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1sn5 s GLU 100 N -2.43 2.88 -0.55 0.54 1.03 -1.26 -2.82 118.70 116.09 1sn5 s GLU 100 Ca 0.32 2.04 -0.03 0.00 0.03 0.00 0.00 54.97 57.34 1sn5 s GLU 100 Cb 0.21 -2.01 0.00 0.00 -0.80 0.00 0.00 34.13 31.53 1sn5 s GLU 100 CO 0.45 -1.34 0.41 0.41 -1.33 0.00 0.00 175.26 173.86 1sn5 n GLY 101 N 0.74 0.34 4.32 -3.83 0.00 -1.26 -3.39 105.19 102.10 1sn5 n GLY 101 Ca 0.13 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1sn5 n GLY 101 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1sn5 n HIS 102 N -3.54 -1.39 -2.88 1.61 1.44 -1.19 -4.92 115.22 104.35 1sn5 n HIS 102 Ca -0.01 0.70 -0.41 0.00 -2.01 0.00 0.00 57.72 55.99 1sn5 n HIS 102 Cb 0.53 -2.66 -0.04 0.00 0.12 0.00 0.00 29.99 27.94 1sn5 n HIS 102 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1sn5 s ARG 103 N -7.12 4.37 0.20 -1.40 3.52 -1.13 -5.06 118.95 112.34 1sn5 s ARG 103 Ca 0.44 1.07 0.09 0.00 -0.13 0.00 0.00 55.73 57.20 1sn5 s ARG 103 Cb -0.25 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.57 1sn5 s ARG 103 CO 0.98 -0.20 -0.08 -1.01 -0.81 0.00 0.00 175.30 174.18 1sn5 s HIS 104 N 1.69 2.64 -0.07 5.12 3.76 -1.26 -4.61 115.29 122.56 1sn5 s HIS 104 Ca 0.41 -0.22 0.05 0.00 -0.15 0.00 0.00 55.06 55.15 1sn5 s HIS 104 Cb -0.18 -1.26 -0.01 0.00 1.11 0.00 0.00 32.58 32.25 1sn5 s HIS 104 CO 0.16 0.55 -0.24 0.71 -0.85 0.00 0.00 174.74 175.06 1sn5 s TYR 105 N -1.88 2.46 -0.19 1.40 1.51 0.51 -4.27 117.35 116.90 1sn5 s TYR 105 Ca 0.27 -0.83 -0.00 0.00 -1.01 0.00 0.00 57.07 55.49 1sn5 s TYR 105 Cb -0.08 -1.63 0.01 0.00 -0.11 0.00 0.00 41.96 40.15 1sn5 s TYR 105 CO 0.16 -0.29 -0.15 0.99 -1.11 0.00 0.00 175.55 175.16 1sn5 s THR 106 N 0.02 2.51 -0.52 -0.71 2.01 -0.33 -0.49 115.64 118.12 1sn5 s THR 106 Ca -0.09 -0.79 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 1sn5 s THR 106 Cb -0.15 -2.08 0.06 0.00 0.01 0.00 0.00 72.50 70.34 1sn5 s THR 106 CO 0.05 0.50 0.68 -0.76 -0.69 0.00 0.00 174.62 174.41 1sn5 s LEU 107 N 1.28 4.88 0.01 4.42 1.02 0.28 -1.04 118.68 129.53 1sn5 s LEU 107 Ca 0.04 -0.90 -0.19 0.00 0.02 0.00 0.00 54.13 53.10 1sn5 s LEU 107 Cb -0.14 -2.48 -0.06 0.00 0.02 0.00 0.00 46.19 43.54 1sn5 s LEU 107 CO -0.08 -0.97 0.56 0.00 0.02 0.00 0.00 176.35 175.88 1sn5 s ALA 108 N 2.84 3.53 -0.05 4.21 0.00 0.12 -1.41 121.76 131.00 1sn5 s ALA 108 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 1sn5 s ALA 108 Cb -0.19 -2.67 0.03 0.00 0.00 0.00 0.00 23.12 20.29 1sn5 s ALA 108 CO 0.12 0.25 0.04 -1.17 0.00 0.00 0.00 175.76 175.00 1sn5 s LEU 109 N -0.47 0.36 -0.25 0.00 2.96 -0.12 -1.23 118.68 119.93 1sn5 s LEU 109 Ca 0.29 0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 54.15 1sn5 s LEU 109 Cb -0.18 -0.24 -0.02 0.00 0.50 0.00 0.00 46.19 46.25 1sn5 s LEU 109 CO 0.17 -0.22 0.07 -0.22 -1.32 0.00 0.00 176.35 174.82 1sn5 s LEU 110 N 2.02 3.46 -0.11 -0.68 2.96 -0.43 -0.19 118.68 125.71 1sn5 s LEU 110 Ca 0.04 -0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 53.67 1sn5 s LEU 110 Cb -0.12 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 1sn5 s LEU 110 CO -0.04 -0.05 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.08 1sn5 s LEU 111 N 1.59 2.95 0.10 -0.68 1.43 0.79 -1.40 118.68 123.46 1sn5 s LEU 111 Ca 0.06 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1sn5 s LEU 111 Cb -0.15 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1sn5 s LEU 111 CO 0.03 0.24 -0.10 -0.44 0.23 0.00 0.00 176.35 176.31 1sn5 s SER 112 N -0.08 1.43 0.33 2.29 0.01 0.65 -0.47 113.70 117.86 1sn5 s SER 112 Ca -0.01 -0.85 0.08 0.00 1.31 0.00 0.00 55.95 56.49 1sn5 s SER 112 Cb -0.14 0.02 0.81 0.00 0.21 0.00 0.00 66.02 66.92 1sn5 s SER 112 CO 0.03 -0.29 1.80 -0.65 0.41 0.00 0.00 173.24 174.54 1sn5 h PRO 113 N 3.44 0.68 -0.20 12.44 0.11 -1.99 -2.43 132.00 144.06 1sn5 h PRO 113 Ca -0.37 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 1sn5 h PRO 113 Cb 1.19 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1sn5 h PRO 113 CO 0.55 0.45 -0.02 1.19 -0.21 0.00 0.00 178.00 179.96 1sn5 n PHE 114 N -4.68 0.69 -3.61 0.65 3.01 -1.26 -0.98 117.46 111.28 1sn5 n PHE 114 Ca 0.22 -1.01 -0.11 0.00 1.01 0.00 0.00 57.45 57.56 1sn5 n PHE 114 Cb 0.58 -0.29 -0.07 0.00 -0.01 0.00 0.00 39.48 39.69 1sn5 n PHE 114 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sn5 s SER 115 N -2.28 -0.52 0.02 4.37 0.15 -0.91 -4.94 113.70 109.58 1sn5 s SER 115 Ca 0.40 0.89 -0.03 0.00 0.70 0.00 0.00 55.95 57.90 1sn5 s SER 115 Cb 0.33 0.86 -0.01 0.00 -1.71 0.00 0.00 66.02 65.49 1sn5 s SER 115 CO 0.06 -0.26 0.04 -0.72 1.20 0.00 0.00 173.24 173.57 1sn5 s TYR 116 N -0.14 0.22 -0.15 3.44 -0.85 -1.26 -0.25 117.35 118.37 1sn5 s TYR 116 Ca 0.00 -0.49 0.02 0.00 -0.52 0.00 0.00 57.07 56.08 1sn5 s TYR 116 Cb -0.04 -0.17 0.01 0.00 0.38 0.00 0.00 41.96 42.14 1sn5 s TYR 116 CO -0.01 -0.28 -0.19 0.99 -1.52 0.00 0.00 175.55 174.53 1sn5 s THR 117 N -2.03 2.30 -0.23 -3.49 2.01 -0.49 -4.97 115.64 108.74 1sn5 s THR 117 Ca -0.10 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 60.96 1sn5 s THR 117 Cb -0.05 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 1sn5 s THR 117 CO -0.02 0.54 -0.03 0.28 -0.69 0.00 0.00 174.62 174.69 1sn5 s THR 118 N 0.81 3.47 0.18 -0.82 -1.32 -1.26 -1.31 115.64 115.39 1sn5 s THR 118 Ca -0.06 -0.48 0.09 0.00 -1.21 0.00 0.00 61.69 60.03 1sn5 s THR 118 Cb -0.15 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.19 1sn5 s THR 118 CO -0.01 0.40 -0.19 -0.89 -2.21 0.00 0.00 174.62 171.72 1sn5 s THR 119 N 1.49 1.96 -0.01 5.08 2.01 -0.36 -5.02 115.64 120.78 1sn5 s THR 119 Ca 0.06 -2.01 0.05 0.00 0.31 0.00 0.00 61.69 60.10 1sn5 s THR 119 Cb -0.14 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 1sn5 s THR 119 CO -0.02 -0.32 -0.17 0.00 -0.69 0.00 0.00 174.62 173.42 1sn5 s ALA 120 N -2.12 1.40 -0.19 7.40 0.00 -1.26 -0.70 121.76 126.30 1sn5 s ALA 120 Ca 0.18 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 1sn5 s ALA 120 Cb -0.06 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.72 1sn5 s ALA 120 CO 0.08 0.34 -0.16 0.08 0.00 0.00 0.00 175.76 176.10 1sn5 s VAL 121 N -0.38 2.40 -0.54 0.00 1.01 -0.20 -4.98 120.40 117.71 1sn5 s VAL 121 Ca 0.06 -0.83 0.13 0.00 0.00 0.00 0.00 61.98 61.34 1sn5 s VAL 121 Cb -0.07 -2.03 0.38 0.00 0.00 0.00 0.00 36.38 34.66 1sn5 s VAL 121 CO -0.01 0.51 1.30 1.33 0.00 0.00 0.00 175.10 178.24 1sn5 n VAL 122 N 4.61 1.55 -3.55 2.92 0.24 -1.26 -1.19 118.33 121.65 1sn5 n VAL 122 Ca -0.20 -1.40 -0.13 0.00 -2.04 0.00 0.00 64.34 60.57 1sn5 n VAL 122 Cb 0.50 0.17 -0.04 0.00 -1.47 0.00 0.00 33.84 33.00 1sn5 n VAL 122 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1sn5 s SER 123 N -1.44 -0.44 0.00 -1.34 0.15 -1.26 -4.43 113.70 104.95 1sn5 s SER 123 Ca 0.30 0.07 0.26 0.00 0.70 0.00 0.00 55.95 57.28 1sn5 s SER 123 Cb 0.21 0.51 0.77 0.00 -1.71 0.00 0.00 66.02 65.80 1sn5 s SER 123 CO 0.12 -0.79 1.60 -1.54 1.20 0.00 0.00 173.24 173.83 1sn5 n SER 124 N 0.15 0.33 -4.15 5.45 3.41 -1.26 -4.90 113.62 112.65 1sn5 n SER 124 Ca -0.18 0.03 -0.14 0.00 -0.26 0.00 0.00 58.87 58.32 1sn5 n SER 124 Cb 0.62 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.43 1sn5 n SER 124 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1sn5 s VAL 125 N -3.00 0.84 0.72 -3.33 -7.23 -1.26 -5.16 120.40 101.98 1sn5 s VAL 125 Ca 0.12 -1.49 -0.11 0.00 -1.81 0.00 0.00 61.98 58.69 1sn5 s VAL 125 Cb 0.18 -1.17 0.02 0.00 0.56 0.00 0.00 36.38 35.97 1sn5 s VAL 125 CO 0.64 -0.50 1.07 -2.28 -0.31 0.00 0.00 175.10 173.71 1sn5 s HIS 126 N -2.15 3.02 0.00 2.82 2.46 -1.26 -5.10 115.29 115.08 1sn5 s HIS 126 Ca 0.01 1.37 0.00 0.00 0.47 0.00 0.00 55.06 56.91 1sn5 s HIS 126 Cb -0.05 -2.94 0.00 0.00 -0.13 0.00 0.00 32.58 29.46 1sn5 s HIS 126 CO -0.00 -1.39 0.00 0.39 -2.47 0.00 0.00 174.74 171.27