#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sn5 s LEU 12 N 0.00 3.31 0.30 1.53 2.96 -1.26 0.17 118.68 125.69 1sn5 s LEU 12 Ca 0.00 -0.72 0.11 0.00 -0.22 0.00 0.00 54.13 53.30 1sn5 s LEU 12 Cb 0.00 -1.74 -0.06 0.00 0.50 0.00 0.00 46.19 44.89 1sn5 s LEU 12 CO 0.00 -0.12 -0.15 -0.04 -1.32 0.00 0.00 176.35 174.71 1sn5 s MET 13 N 1.41 1.70 0.11 1.98 -1.94 0.18 -4.63 119.30 118.11 1sn5 s MET 13 Ca 0.02 -1.82 0.03 0.00 -1.71 0.00 0.00 55.69 52.21 1sn5 s MET 13 Cb -0.16 -1.68 -0.04 0.00 2.01 0.00 0.00 34.83 34.95 1sn5 s MET 13 CO -0.02 0.24 -0.08 0.14 -0.01 0.00 0.00 175.02 175.29 1sn5 s VAL 14 N -2.59 0.85 -0.25 -6.03 -7.23 -1.26 -0.69 120.40 103.19 1sn5 s VAL 14 Ca 0.30 -1.91 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 1sn5 s VAL 14 Cb -0.02 -1.66 0.12 0.00 0.56 0.00 0.00 36.38 35.38 1sn5 s VAL 14 CO 0.15 -0.79 0.27 -0.75 -0.31 0.00 0.00 175.10 173.67 1sn5 s LYS 15 N -3.63 0.27 -0.21 4.82 2.47 -0.15 -4.31 119.74 118.99 1sn5 s LYS 15 Ca 0.12 0.09 -0.06 0.00 -1.56 0.00 0.00 55.97 54.56 1sn5 s LYS 15 Cb 0.03 -0.88 -0.03 0.00 -1.46 0.00 0.00 37.83 35.50 1sn5 s LYS 15 CO -0.03 -0.82 0.04 0.42 0.16 0.00 0.00 175.35 175.12 1sn5 s ILE 16 N 2.37 4.25 0.04 5.43 1.01 -0.39 -0.58 121.20 133.33 1sn5 s ILE 16 Ca 0.09 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.58 1sn5 s ILE 16 Cb -0.15 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 1sn5 s ILE 16 CO -0.22 0.41 -0.10 -0.76 0.00 0.00 0.00 174.94 174.27 1sn5 s LEU 17 N 1.03 3.03 -0.40 2.97 1.43 0.72 0.16 118.68 127.62 1sn5 s LEU 17 Ca 0.03 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 1sn5 s LEU 17 Cb -0.14 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1sn5 s LEU 17 CO 0.02 0.25 0.34 -0.62 0.23 0.00 0.00 176.35 176.57 1sn5 s ASP 18 N -1.64 6.14 0.14 2.29 -1.08 0.15 -0.57 116.67 122.11 1sn5 s ASP 18 Ca 0.18 -0.72 0.23 0.00 -0.52 0.00 0.00 52.55 51.73 1sn5 s ASP 18 Cb -0.11 -2.18 0.91 0.00 -1.46 0.00 0.00 42.92 40.08 1sn5 s ASP 18 CO 0.09 -0.46 1.72 0.00 0.52 0.00 0.00 175.17 177.04 1sn5 n ALA 19 N 5.31 1.96 -0.04 3.66 0.00 0.20 -0.88 120.51 130.72 1sn5 n ALA 19 Ca -0.10 -0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 1sn5 n ALA 19 Cb 0.48 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.40 1sn5 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sn5 h VAL 20 N 0.00 1.39 0.00 0.00 2.07 -1.93 -3.40 116.25 114.38 1sn5 h VAL 20 Ca 0.00 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.17 1sn5 h VAL 20 Cb 0.47 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1sn5 h VAL 20 CO 0.00 0.58 -0.84 0.29 0.02 0.00 0.00 177.57 177.61 1sn5 n LYS 21 N -4.35 0.29 -2.36 1.57 4.76 -1.18 -4.97 118.16 111.93 1sn5 n LYS 21 Ca -0.19 0.04 -0.14 0.00 -2.87 0.00 0.00 58.31 55.15 1sn5 n LYS 21 Cb 0.67 -1.63 -0.00 0.00 -1.84 0.00 0.00 35.03 32.22 1sn5 n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sn5 n GLY 22 N 1.35 -0.17 3.27 0.72 0.00 -0.05 -5.02 105.19 105.29 1sn5 n GLY 22 Ca 0.03 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.73 0.61 0.83 2.61 -4.23 -1.21 -4.99 115.64 106.53 1sn5 s THR 23 Ca 0.04 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 58.44 1sn5 s THR 23 Cb -0.02 -2.35 0.10 0.00 1.34 0.00 0.00 72.50 71.57 1sn5 s THR 23 CO 0.05 -0.26 1.16 -2.84 -0.54 0.00 0.00 174.62 172.18 1sn5 s PRO 24 N -3.97 1.60 -0.47 3.99 0.02 -1.26 0.33 135.00 135.24 1sn5 s PRO 24 Ca 0.30 1.55 -0.18 0.00 0.02 0.00 0.00 61.00 62.69 1sn5 s PRO 24 Cb 0.07 -1.79 0.05 0.00 0.02 0.00 0.00 34.50 32.84 1sn5 s PRO 24 CO 0.08 -2.20 0.53 0.00 -0.33 0.00 0.00 177.00 175.08 1sn5 s ALA 25 N -2.47 3.43 0.31 -1.55 0.00 0.12 -4.49 121.76 117.12 1sn5 s ALA 25 Ca 0.68 -1.72 -0.06 0.00 0.00 0.00 0.00 51.96 50.86 1sn5 s ALA 25 Cb -0.24 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1sn5 s ALA 25 CO 0.53 -1.82 0.60 0.20 0.00 0.00 0.00 175.76 175.27 1sn5 s GLY 26 N 2.39 1.86 -1.33 0.00 0.00 -1.26 -4.03 107.32 104.94 1sn5 s GLY 26 Ca 0.12 -0.49 -0.05 0.00 0.00 0.00 0.00 44.72 44.30 1sn5 s GLY 26 CO 0.12 -0.37 0.73 1.44 0.00 0.00 0.00 173.10 175.01 1sn5 n SER 27 N -1.03 -5.77 -4.59 1.64 7.64 -0.60 -4.94 113.62 105.97 1sn5 n SER 27 Ca -0.01 -0.34 -0.40 0.00 1.01 0.00 0.00 58.87 59.14 1sn5 n SER 27 Cb 0.54 -4.52 -0.08 0.00 -1.01 0.00 0.00 64.21 59.14 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 -3.17 5.11 0.23 0.44 1.01 -1.26 -4.77 120.40 117.98 1sn5 s VAL 28 Ca 0.36 0.57 -0.30 0.00 0.00 0.00 0.00 61.98 62.61 1sn5 s VAL 28 Cb -0.16 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 1sn5 s VAL 28 CO 0.45 0.03 1.13 0.00 0.00 0.00 0.00 175.10 176.70 1sn5 s ALA 29 N 2.21 3.40 0.08 5.51 0.00 -1.26 -1.40 121.76 130.31 1sn5 s ALA 29 Ca 0.17 0.89 -0.05 0.00 0.00 0.00 0.00 51.96 52.97 1sn5 s ALA 29 Cb -0.16 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1sn5 s ALA 29 CO 0.11 -0.23 0.09 -0.48 0.00 0.00 0.00 175.76 175.25 1sn5 s LEU 30 N -0.85 1.87 0.01 0.00 0.05 0.37 -0.36 118.68 119.76 1sn5 s LEU 30 Ca 0.48 -0.84 0.00 0.00 0.05 0.00 0.00 54.13 53.82 1sn5 s LEU 30 Cb -0.31 0.65 -0.01 0.00 -2.05 0.00 0.00 46.19 44.47 1sn5 s LEU 30 CO 0.38 -0.68 -0.02 -1.59 -0.55 0.00 0.00 176.35 173.89 1sn5 s LYS 31 N -3.90 0.19 -0.15 1.48 -2.85 -0.58 -1.25 119.74 112.67 1sn5 s LYS 31 Ca 0.08 -0.25 -0.01 0.00 -1.00 0.00 0.00 55.97 54.78 1sn5 s LYS 31 Cb 0.06 -0.06 -0.02 0.00 -2.06 0.00 0.00 37.83 35.76 1sn5 s LYS 31 CO -0.09 0.01 -0.10 0.08 0.10 0.00 0.00 175.35 175.35 1sn5 s VAL 32 N -0.51 3.27 0.13 1.79 1.01 0.08 -0.84 120.40 125.34 1sn5 s VAL 32 Ca -0.05 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.45 1sn5 s VAL 32 Cb -0.04 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1sn5 s VAL 32 CO -0.00 0.50 -0.22 -0.44 0.00 0.00 0.00 175.10 174.95 1sn5 s SER 33 N 0.52 2.81 -0.08 3.32 0.01 0.12 -0.80 113.70 119.60 1sn5 s SER 33 Ca -0.07 -0.76 0.04 0.00 1.31 0.00 0.00 55.95 56.46 1sn5 s SER 33 Cb -0.15 -0.17 -0.01 0.00 0.21 0.00 0.00 66.02 65.90 1sn5 s SER 33 CO 0.04 0.06 -0.20 -1.58 0.41 0.00 0.00 173.24 171.97 1sn5 s GLN 34 N -2.25 2.87 0.11 12.44 0.74 0.96 -0.89 119.66 133.64 1sn5 s GLN 34 Ca 0.12 -0.81 -0.31 0.00 0.05 0.00 0.00 55.36 54.41 1sn5 s GLN 34 Cb -0.09 -2.35 -0.07 0.00 1.10 0.00 0.00 33.01 31.60 1sn5 s GLN 34 CO 0.06 0.33 1.31 0.21 -0.55 0.00 0.00 175.29 176.65 1sn5 s LYS 35 N -0.00 4.37 0.60 1.67 2.20 0.47 -0.60 119.74 128.44 1sn5 s LYS 35 Ca -0.07 1.97 -0.02 0.00 -0.36 0.00 0.00 55.97 57.50 1sn5 s LYS 35 Cb -0.15 -3.27 0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1sn5 s LYS 35 CO 0.05 -0.34 0.85 0.95 -0.36 0.00 0.00 175.35 176.50 1sn5 s THR 36 N 0.90 2.64 0.36 3.43 -4.23 0.75 -4.74 115.64 114.75 1sn5 s THR 36 Ca 0.61 -0.50 0.07 0.00 -1.18 0.00 0.00 61.69 60.69 1sn5 s THR 36 Cb -0.34 -3.04 0.31 0.00 1.34 0.00 0.00 72.50 70.76 1sn5 s THR 36 CO 0.31 -0.03 1.92 0.00 -0.54 0.00 0.00 174.62 176.28 1sn5 h ALA 37 N -0.14 1.77 -0.23 3.99 0.00 -1.96 -1.52 119.26 121.16 1sn5 h ALA 37 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1sn5 h ALA 37 Cb 1.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1sn5 h ALA 37 CO 0.55 0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 1sn5 n ASP 38 N -4.51 1.47 0.00 0.00 5.75 -1.26 -4.86 116.55 113.15 1sn5 n ASP 38 Ca 0.14 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 1sn5 n ASP 38 Cb 0.34 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1sn5 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sn5 n GLY 39 N 0.78 0.71 0.66 6.12 0.00 -0.57 -5.06 105.19 107.83 1sn5 n GLY 39 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.52 0.98 3.19 -0.02 0.00 -1.25 -4.82 105.19 100.75 1sn5 n GLY 40 Ca 0.00 -2.00 -0.25 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.18 1.64 -0.04 1.61 0.52 -1.26 -0.18 118.94 121.04 1sn5 s TRP 41 Ca 0.11 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 55.96 1sn5 s TRP 41 Cb -0.01 -1.03 -0.01 0.00 -1.15 0.00 0.00 33.47 31.28 1sn5 s TRP 41 CO 0.07 0.01 -0.23 -0.08 0.02 0.00 0.00 176.95 176.74 1sn5 s THR 42 N -0.57 1.88 -0.05 2.01 -1.32 0.23 -4.89 115.64 112.93 1sn5 s THR 42 Ca 0.07 -0.99 -0.30 0.00 -1.21 0.00 0.00 61.69 59.26 1sn5 s THR 42 Cb -0.08 -1.59 -0.02 0.00 -1.51 0.00 0.00 72.50 69.30 1sn5 s THR 42 CO 0.00 0.53 0.99 -1.58 -2.21 0.00 0.00 174.62 172.35 1sn5 s GLN 43 N -0.23 4.49 -0.01 7.08 0.74 -1.26 -0.03 119.66 130.43 1sn5 s GLN 43 Ca -0.00 1.41 0.10 0.00 0.05 0.00 0.00 55.36 56.92 1sn5 s GLN 43 Cb -0.12 -3.50 -0.15 0.00 1.10 0.00 0.00 33.01 30.34 1sn5 s GLN 43 CO 0.02 -0.18 0.23 0.44 -0.55 0.00 0.00 175.29 175.25 1sn5 n ILE 44 N 4.21 0.00 -3.53 -2.34 -5.35 0.02 -4.93 119.36 107.44 1sn5 n ILE 44 Ca 0.07 -0.23 -0.08 0.00 -0.27 0.00 0.00 62.75 62.25 1sn5 n ILE 44 Cb 0.50 0.31 -0.02 0.00 -1.74 0.00 0.00 39.64 38.68 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 -2.65 -1.89 0.21 -1.28 0.00 -1.16 -5.01 121.76 109.97 1sn5 s ALA 45 Ca -0.03 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.16 1sn5 s ALA 45 Cb 0.06 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 1sn5 s ALA 45 CO 0.41 -0.62 0.08 0.95 0.00 0.00 0.00 175.76 176.58 1sn5 s THR 46 N -2.69 0.40 -0.09 0.00 -4.23 -1.26 -0.74 115.64 107.03 1sn5 s THR 46 Ca 0.05 -1.98 -0.31 0.00 -1.18 0.00 0.00 61.69 58.27 1sn5 s THR 46 Cb -0.01 -2.40 0.11 0.00 1.34 0.00 0.00 72.50 71.54 1sn5 s THR 46 CO -0.07 -0.18 1.39 -0.83 -0.54 0.00 0.00 174.62 174.40 1sn5 s GLY 47 N -3.21 -0.28 -0.02 3.99 0.00 -0.38 -4.98 107.32 102.44 1sn5 s GLY 47 Ca 0.33 0.34 0.01 0.00 0.00 0.00 0.00 44.72 45.40 1sn5 s GLY 47 CO 0.09 5.42 -0.01 0.14 0.00 0.00 0.00 173.10 178.74 1sn5 s VAL 48 N -2.01 0.19 0.55 1.40 1.01 -1.26 -0.48 120.40 119.80 1sn5 s VAL 48 Ca 0.29 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 1sn5 s VAL 48 Cb 0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 1sn5 s VAL 48 CO -0.04 0.11 1.26 0.42 0.00 0.00 0.00 175.10 176.85 1sn5 s THR 49 N 0.61 2.49 0.11 3.92 -4.23 -0.49 -4.79 115.64 113.27 1sn5 s THR 49 Ca -0.06 0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 60.77 1sn5 s THR 49 Cb -0.09 -3.16 0.02 0.00 1.34 0.00 0.00 72.50 70.62 1sn5 s THR 49 CO -0.01 -0.03 0.15 -0.90 -0.54 0.00 0.00 174.62 173.28 1sn5 n ASP 50 N -1.18 0.03 0.23 3.99 5.68 0.59 -1.56 116.55 124.33 1sn5 n ASP 50 Ca 0.11 -1.07 0.16 0.00 -0.50 0.00 0.00 54.79 53.50 1sn5 n ASP 50 Cb 0.48 -0.11 0.73 0.00 -1.14 0.00 0.00 41.12 41.07 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 -1.77 1.00 -0.42 2.12 0.00 -1.92 -1.61 119.26 116.66 1sn5 h ALA 51 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sn5 h ALA 51 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sn5 h ALA 51 CO 0.04 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.54 1sn5 n THR 52 N -2.72 0.61 -1.76 0.00 -2.24 -1.26 -4.55 114.28 102.35 1sn5 n THR 52 Ca -0.00 -0.58 -0.15 0.00 -2.27 0.00 0.00 64.05 61.06 1sn5 n THR 52 Cb 0.20 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.15 0.81 3.56 3.38 0.00 -0.61 -4.72 105.19 108.76 1sn5 n GLY 53 Ca 0.14 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.83 1.88 -0.09 1.61 2.02 -1.26 -1.26 118.70 117.77 1sn5 s GLU 54 Ca 0.00 -1.88 -0.01 0.00 0.02 0.00 0.00 54.97 53.11 1sn5 s GLU 54 Cb 0.00 -1.77 0.03 0.00 0.10 0.00 0.00 34.13 32.48 1sn5 s GLU 54 CO 0.00 0.15 -0.05 0.42 0.02 0.00 0.00 175.26 175.80 1sn5 s ILE 55 N -2.58 0.79 0.06 -1.63 1.01 -1.26 -0.30 121.20 117.29 1sn5 s ILE 55 Ca 0.33 -0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.73 1sn5 s ILE 55 Cb 0.01 -0.85 -0.06 0.00 0.01 0.00 0.00 42.46 41.57 1sn5 s ILE 55 CO 0.17 0.33 0.37 -1.00 0.00 0.00 0.00 174.94 174.81 1sn5 s HIS 56 N 1.72 3.60 -1.31 3.97 3.76 -1.26 -4.27 115.29 121.50 1sn5 s HIS 56 Ca 0.04 0.77 -0.01 0.00 -0.15 0.00 0.00 55.06 55.70 1sn5 s HIS 56 Cb -0.13 -2.14 -0.00 0.00 1.11 0.00 0.00 32.58 31.42 1sn5 s HIS 56 CO -0.06 0.55 0.67 0.09 -0.85 0.00 0.00 174.74 175.13 1sn5 n ASN 57 N 1.04 -1.24 0.01 1.40 3.02 -1.26 -4.91 115.26 113.33 1sn5 n ASN 57 Ca -0.09 -0.85 -0.13 0.00 -0.03 0.00 0.00 54.58 53.48 1sn5 n ASN 57 Cb 0.52 -3.92 -0.09 0.00 -0.61 0.00 0.00 39.78 35.68 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 -1.85 -0.02 -8.54 3.41 5.85 -1.82 -3.46 115.31 108.87 1sn5 h LEU 58 Ca -0.62 -0.30 -0.22 0.00 0.84 0.00 0.00 57.88 57.58 1sn5 h LEU 58 Cb 1.36 0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.26 1sn5 h LEU 58 CO 0.57 0.29 -0.49 0.27 -0.34 0.00 0.00 178.44 178.74 1sn5 s ILE 59 N -4.93 0.00 0.42 4.05 -4.36 -1.26 -4.83 121.20 110.29 1sn5 s ILE 59 Ca -0.15 -1.86 0.08 0.00 -0.26 0.00 0.00 60.65 58.45 1sn5 s ILE 59 Cb 0.03 -2.45 -0.02 0.00 1.25 0.00 0.00 42.46 41.27 1sn5 s ILE 59 CO 0.66 0.00 0.35 0.42 0.24 0.00 0.00 174.94 176.61 1sn5 s THR 60 N -4.03 2.57 0.17 8.37 -4.23 -1.26 -4.50 115.64 112.73 1sn5 s THR 60 Ca 0.35 -1.41 -0.14 0.00 -1.18 0.00 0.00 61.69 59.32 1sn5 s THR 60 Cb 0.05 -2.98 0.08 0.00 1.34 0.00 0.00 72.50 70.99 1sn5 s THR 60 CO 0.13 0.00 1.72 -0.33 -0.54 0.00 0.00 174.62 175.60 1sn5 h GLU 61 N 1.09 0.22 0.00 3.99 3.07 -2.01 -1.75 114.58 119.19 1sn5 h GLU 61 Ca -0.41 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.40 1sn5 h GLU 61 Cb 1.26 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1sn5 h GLU 61 CO 0.59 0.15 -0.16 1.96 -1.40 0.00 0.00 179.01 180.15 1sn5 h GLN 62 N 0.23 0.00 -0.00 2.33 1.08 -2.02 -1.70 115.11 115.03 1sn5 h GLN 62 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1sn5 h GLN 62 Cb 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1sn5 h GLN 62 CO -0.28 0.16 -0.06 0.94 -0.95 0.00 0.00 178.83 178.64 1sn5 n GLN 63 N -3.54 0.94 -3.13 1.46 7.27 -0.68 -4.30 117.38 115.41 1sn5 n GLN 63 Ca -0.01 -0.32 -0.24 0.00 0.07 0.00 0.00 57.00 56.50 1sn5 n GLN 63 Cb 0.31 -1.49 -0.05 0.00 2.41 0.00 0.00 30.24 31.42 1sn5 n GLN 63 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1sn5 n PHE 64 N -0.75 2.25 -2.06 3.69 7.35 -0.64 -4.89 117.46 122.41 1sn5 n PHE 64 Ca 0.17 -3.92 -0.29 0.00 -0.76 0.00 0.00 57.45 52.66 1sn5 n PHE 64 Cb 0.25 -0.46 0.05 0.00 0.35 0.00 0.00 39.48 39.67 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 -2.69 2.76 0.47 -7.13 0.04 -1.26 -4.66 135.00 122.54 1sn5 s PRO 65 Ca 0.43 0.25 -0.21 0.00 0.04 0.00 0.00 61.00 61.51 1sn5 s PRO 65 Cb 0.26 -2.10 -0.11 0.00 0.04 0.00 0.00 34.50 32.59 1sn5 s PRO 65 CO -0.10 -0.99 0.53 0.00 0.04 0.00 0.00 177.00 176.49 1sn5 n ALA 66 N -2.90 -1.36 0.00 8.56 0.00 -1.26 -4.87 120.51 118.68 1sn5 n ALA 66 Ca 0.06 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1sn5 n ALA 66 Cb 0.58 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 1.79 0.37 3.73 0.00 0.00 -0.88 -4.98 105.19 105.21 1sn5 n GLY 67 Ca 0.11 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.47 5.16 0.13 1.61 1.01 -1.26 -0.69 120.40 124.89 1sn5 s VAL 68 Ca 0.00 0.98 0.09 0.00 0.00 0.00 0.00 61.98 63.04 1sn5 s VAL 68 Cb 0.00 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1sn5 s VAL 68 CO 0.00 0.35 -0.20 -0.31 0.00 0.00 0.00 175.10 174.94 1sn5 s TYR 69 N 0.47 1.84 -0.08 5.22 1.51 0.42 -0.40 117.35 126.33 1sn5 s TYR 69 Ca 0.26 -0.44 0.02 0.00 -1.01 0.00 0.00 57.07 55.90 1sn5 s TYR 69 Cb -0.15 -0.97 0.02 0.00 -0.11 0.00 0.00 41.96 40.75 1sn5 s TYR 69 CO 0.11 0.28 -0.12 0.50 -1.11 0.00 0.00 175.55 175.21 1sn5 s ARG 70 N -2.32 1.77 -0.18 -0.62 3.52 -0.07 -1.01 118.95 120.04 1sn5 s ARG 70 Ca 0.11 -0.41 -0.00 0.00 -0.13 0.00 0.00 55.73 55.29 1sn5 s ARG 70 Cb -0.08 -1.53 0.01 0.00 -1.56 0.00 0.00 34.95 31.79 1sn5 s ARG 70 CO 0.06 -0.04 -0.15 0.08 -0.81 0.00 0.00 175.30 174.44 1sn5 s VAL 71 N 0.90 2.58 -0.17 7.11 1.01 0.21 0.15 120.40 132.19 1sn5 s VAL 71 Ca -0.10 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 1sn5 s VAL 71 Cb -0.15 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1sn5 s VAL 71 CO 0.01 0.50 -0.01 -1.61 0.00 0.00 0.00 175.10 173.99 1sn5 s GLU 72 N 1.14 3.73 -0.14 2.72 2.02 -0.02 -0.69 118.70 127.46 1sn5 s GLU 72 Ca 0.01 -0.48 -0.01 0.00 0.02 0.00 0.00 54.97 54.51 1sn5 s GLU 72 Cb -0.14 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 31.07 1sn5 s GLU 72 CO -0.06 0.22 -0.12 -0.06 0.02 0.00 0.00 175.26 175.27 1sn5 s PHE 73 N 0.43 2.83 -1.30 1.61 0.40 0.04 -1.53 117.98 120.46 1sn5 s PHE 73 Ca -0.02 -0.65 -0.14 0.00 -0.60 0.00 0.00 56.93 55.52 1sn5 s PHE 73 Cb -0.14 -1.86 0.12 0.00 0.51 0.00 0.00 43.02 41.64 1sn5 s PHE 73 CO 0.02 -0.22 1.77 -3.47 0.70 0.00 0.00 175.22 174.02 1sn5 n ASP 74 N 3.60 4.85 0.12 1.36 -0.08 0.51 -1.79 116.55 125.13 1sn5 n ASP 74 Ca -0.18 -2.97 -0.02 0.00 -1.51 0.00 0.00 54.79 50.12 1sn5 n ASP 74 Cb 0.53 -1.62 0.10 0.00 2.34 0.00 0.00 41.12 42.47 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 4.56 1.40 -0.67 5.18 1.35 -1.86 -3.07 112.91 119.80 1sn5 h THR 75 Ca 0.42 -2.42 0.01 0.00 -0.55 0.00 0.00 66.41 63.87 1sn5 h THR 75 Cb 0.77 2.34 -0.03 0.00 -1.73 0.00 0.00 68.15 69.49 1sn5 h THR 75 CO 1.52 0.67 0.44 0.50 -0.25 0.00 0.00 175.52 178.40 1sn5 h LYS 76 N 0.00 0.88 -0.22 4.72 3.64 -1.74 -1.34 116.57 122.51 1sn5 h LYS 76 Ca -0.01 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 1sn5 h LYS 76 Cb 1.28 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1sn5 h LYS 76 CO 0.09 0.58 -0.32 0.00 -2.27 0.00 0.00 179.45 177.53 1sn5 h ALA 77 N 1.25 1.04 0.16 5.00 0.00 -1.88 -1.61 119.26 123.22 1sn5 h ALA 77 Ca 0.25 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1sn5 h ALA 77 Cb -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1sn5 h ALA 77 CO -0.06 0.59 -0.08 -0.92 0.00 0.00 0.00 179.25 178.78 1sn5 h TYR 78 N 0.39 -0.20 -0.48 0.00 3.20 -1.27 -1.19 116.97 117.43 1sn5 h TYR 78 Ca 0.05 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 1sn5 h TYR 78 Cb 0.75 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1sn5 h TYR 78 CO 0.02 -0.04 -0.09 -1.49 -1.64 0.00 0.00 178.16 174.93 1sn5 h TRP 79 N -0.32 0.94 -0.14 -3.82 4.06 -1.24 -1.84 115.95 113.60 1sn5 h TRP 79 Ca -0.02 -0.17 0.02 0.00 2.06 0.00 0.00 58.89 60.78 1sn5 h TRP 79 Cb 0.25 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.15 1sn5 h TRP 79 CO -0.04 0.90 0.01 1.15 -3.56 0.00 0.00 178.44 176.90 1sn5 h THR 80 N 0.78 0.91 -0.51 1.49 2.02 -1.17 0.89 112.91 117.32 1sn5 h THR 80 Ca 0.13 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 1sn5 h THR 80 Cb 0.59 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1sn5 h THR 80 CO 0.04 0.01 0.21 -1.13 0.37 0.00 0.00 175.52 175.01 1sn5 h ASN 81 N 0.06 0.66 0.76 4.18 -1.24 -1.05 -1.68 115.58 117.27 1sn5 h ASN 81 Ca 0.06 -0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1sn5 h ASN 81 Cb 0.07 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 38.95 1sn5 h ASN 81 CO -0.10 0.60 0.00 1.67 -1.29 0.00 0.00 177.43 178.31 1sn5 n GLN 82 N -4.35 0.00 -0.26 6.67 -0.06 -0.70 -4.91 117.38 113.77 1sn5 n GLN 82 Ca 0.04 0.13 0.00 0.00 -2.00 0.00 0.00 57.00 55.17 1sn5 n GLN 82 Cb 0.15 -1.51 0.00 0.00 -4.06 0.00 0.00 30.24 24.83 1sn5 n GLN 82 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1sn5 n GLY 83 N 0.76 0.85 3.75 1.69 0.00 -0.31 -5.07 105.19 106.85 1sn5 n GLY 83 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1sn5 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sn5 s SER 84 N -2.10 5.31 -0.28 1.61 0.01 0.16 -4.99 113.70 113.41 1sn5 s SER 84 Ca 0.00 -0.14 -0.10 0.00 1.31 0.00 0.00 55.95 57.02 1sn5 s SER 84 Cb 0.00 -1.34 -0.04 0.00 0.21 0.00 0.00 66.02 64.85 1sn5 s SER 84 CO 0.00 0.13 0.16 0.42 0.41 0.00 0.00 173.24 174.36 1sn5 s THR 85 N -1.52 4.98 0.50 1.44 -4.23 -1.26 -3.33 115.64 112.21 1sn5 s THR 85 Ca 0.29 -0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.80 1sn5 s THR 85 Cb -0.11 -3.40 0.02 0.00 1.34 0.00 0.00 72.50 70.35 1sn5 s THR 85 CO 0.21 0.22 0.71 -2.16 -0.54 0.00 0.00 174.62 173.06 1sn5 s PRO 86 N 1.70 2.66 -0.16 3.99 0.04 -1.26 -4.87 135.00 137.10 1sn5 s PRO 86 Ca 0.06 -0.89 -0.25 0.00 0.04 0.00 0.00 61.00 59.96 1sn5 s PRO 86 Cb -0.16 -2.57 -0.23 0.00 0.04 0.00 0.00 34.50 31.57 1sn5 s PRO 86 CO 0.09 -0.55 0.54 0.35 0.04 0.00 0.00 177.00 177.46 1sn5 h PHE 87 N 0.26 0.03 -3.82 0.56 3.57 -1.32 -3.48 116.94 112.74 1sn5 h PHE 87 Ca -0.42 -0.02 -0.48 0.00 3.53 0.00 0.00 57.97 60.58 1sn5 h PHE 87 Cb 1.29 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1sn5 h PHE 87 CO 0.38 1.23 0.31 -1.01 -2.23 0.00 0.00 178.31 177.00 1sn5 s HIS 88 N -2.29 3.73 -0.14 0.41 3.76 -1.26 -4.96 115.29 114.54 1sn5 s HIS 88 Ca -0.23 1.75 0.15 0.00 -0.15 0.00 0.00 55.06 56.58 1sn5 s HIS 88 Cb 0.01 -2.89 0.09 0.00 1.11 0.00 0.00 32.58 30.90 1sn5 s HIS 88 CO 0.66 0.27 1.46 1.49 -0.85 0.00 0.00 174.74 177.76 1sn5 h GLU 89 N 3.36 0.00 -2.09 1.40 4.57 -1.98 -3.37 114.58 116.47 1sn5 h GLU 89 Ca -0.47 0.00 0.17 0.00 -1.18 0.00 0.00 59.36 57.88 1sn5 h GLU 89 Cb 1.19 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.65 1sn5 h GLU 89 CO 0.65 0.50 0.57 0.54 -1.18 0.00 0.00 179.01 180.10 1sn5 s VAL 90 N -2.99 0.00 -0.21 0.32 0.11 -1.26 -4.23 120.40 112.14 1sn5 s VAL 90 Ca 0.04 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 1sn5 s VAL 90 Cb 0.08 -1.34 0.02 0.00 -1.53 0.00 0.00 36.38 33.61 1sn5 s VAL 90 CO 0.74 0.00 -0.14 0.00 -3.33 0.00 0.00 175.10 172.37 1sn5 s ALA 91 N -2.99 2.49 -0.12 1.54 0.00 -0.74 -4.90 121.76 117.05 1sn5 s ALA 91 Ca 0.08 -1.33 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 1sn5 s ALA 91 Cb -0.01 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 1sn5 s ALA 91 CO -0.05 -0.56 -0.06 -1.21 0.00 0.00 0.00 175.76 173.88 1sn5 s GLU 92 N 1.29 3.27 -0.27 0.00 2.02 -1.26 -0.78 118.70 122.97 1sn5 s GLU 92 Ca 0.02 -0.55 0.03 0.00 0.02 0.00 0.00 54.97 54.49 1sn5 s GLU 92 Cb -0.15 -2.74 0.07 0.00 0.10 0.00 0.00 34.13 31.40 1sn5 s GLU 92 CO -0.09 0.41 -0.08 0.08 0.02 0.00 0.00 175.26 175.59 1sn5 s VAL 93 N -0.11 2.11 -0.16 2.63 1.01 0.13 -4.98 120.40 121.03 1sn5 s VAL 93 Ca 0.01 -1.68 -0.00 0.00 0.00 0.00 0.00 61.98 60.31 1sn5 s VAL 93 Cb -0.13 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 1sn5 s VAL 93 CO 0.03 -0.11 -0.14 -0.69 0.00 0.00 0.00 175.10 174.19 1sn5 s VAL 94 N 1.11 2.79 0.16 2.92 1.01 -1.26 -0.62 120.40 126.51 1sn5 s VAL 94 Ca -0.06 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 1sn5 s VAL 94 Cb -0.20 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 34.03 1sn5 s VAL 94 CO -0.06 0.51 0.48 0.72 0.00 0.00 0.00 175.10 176.75 1sn5 s PHE 95 N 0.85 -0.17 -0.10 5.22 -0.71 -0.18 -4.99 117.98 117.89 1sn5 s PHE 95 Ca -0.04 -0.15 -0.16 0.00 -1.04 0.00 0.00 56.93 55.54 1sn5 s PHE 95 Cb -0.15 0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 41.95 1sn5 s PHE 95 CO -0.00 -0.82 0.41 -0.51 -1.34 0.00 0.00 175.22 172.96 1sn5 s ASP 96 N -2.84 6.65 -0.07 1.98 1.11 -1.26 -0.44 116.67 121.80 1sn5 s ASP 96 Ca 0.06 0.77 0.03 0.00 0.18 0.00 0.00 52.55 53.59 1sn5 s ASP 96 Cb 0.00 -2.25 -0.02 0.00 1.07 0.00 0.00 42.92 41.72 1sn5 s ASP 96 CO -0.07 0.10 -0.17 0.00 1.18 0.00 0.00 175.17 176.22 1sn5 s ALA 97 N 0.17 2.52 -0.56 5.23 0.00 0.13 -4.97 121.76 124.28 1sn5 s ALA 97 Ca 0.23 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.27 1sn5 s ALA 97 Cb -0.15 -0.96 0.20 0.00 0.00 0.00 0.00 23.12 22.22 1sn5 s ALA 97 CO 0.09 0.44 0.52 0.72 0.00 0.00 0.00 175.76 177.54 1sn5 n HIS 98 N 2.80 1.69 0.92 0.00 8.25 -1.26 -2.07 115.22 125.55 1sn5 n HIS 98 Ca -0.17 -3.90 -0.00 0.00 -0.26 0.00 0.00 57.72 53.39 1sn5 n HIS 98 Cb 0.52 -0.34 0.01 0.00 1.12 0.00 0.00 29.99 31.30 1sn5 n HIS 98 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1sn5 n PRO 99 N 1.80 1.11 -2.62 -0.41 -0.04 -1.26 -4.83 135.00 128.76 1sn5 n PRO 99 Ca 0.25 -0.12 -0.43 0.00 -0.04 0.00 0.00 63.50 63.16 1sn5 n PRO 99 Cb 0.43 -1.33 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1sn5 n PRO 99 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1sn5 s GLU 100 N -0.69 4.38 0.00 0.54 8.01 -1.26 -4.41 118.70 125.27 1sn5 s GLU 100 Ca 0.02 1.47 0.00 0.00 0.01 0.00 0.00 54.97 56.47 1sn5 s GLU 100 Cb 0.02 -3.57 0.00 0.00 -4.31 0.00 0.00 34.13 26.27 1sn5 s GLU 100 CO 0.01 -0.40 0.00 0.41 0.01 0.00 0.00 175.26 175.28 1sn5 n GLY 101 N 3.21 0.62 1.08 -1.39 0.00 -1.26 -4.31 105.19 103.13 1sn5 n GLY 101 Ca 0.10 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.63 1sn5 n GLY 101 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sn5 n HIS 102 N 0.00 0.34 -1.43 1.61 8.25 -1.26 -4.99 115.22 117.74 1sn5 n HIS 102 Ca 0.00 -0.18 -0.50 0.00 -0.26 0.00 0.00 57.72 56.78 1sn5 n HIS 102 Cb 0.00 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1sn5 n HIS 102 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1sn5 n ARG 103 N 1.42 0.81 -4.27 -0.41 0.63 -1.25 -4.87 116.66 108.72 1sn5 n ARG 103 Ca 0.17 0.20 -0.33 0.00 -0.92 0.00 0.00 57.85 56.96 1sn5 n ARG 103 Cb 0.60 -2.31 -0.09 0.00 0.45 0.00 0.00 32.46 31.11 1sn5 n ARG 103 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1sn5 s HIS 104 N 7.69 3.15 -0.13 -0.14 3.76 -1.24 -4.69 115.29 123.70 1sn5 s HIS 104 Ca 1.13 0.15 0.00 0.00 -0.15 0.00 0.00 55.06 56.19 1sn5 s HIS 104 Cb -0.93 -1.73 -0.01 0.00 1.11 0.00 0.00 32.58 31.02 1sn5 s HIS 104 CO 0.50 0.49 -0.14 0.71 -0.85 0.00 0.00 174.74 175.44 1sn5 s TYR 105 N -1.04 2.79 -0.17 1.40 1.51 0.44 -1.28 117.35 120.99 1sn5 s TYR 105 Ca 0.18 -0.71 -0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1sn5 s TYR 105 Cb -0.12 -1.83 -0.00 0.00 -0.11 0.00 0.00 41.96 39.90 1sn5 s TYR 105 CO 0.08 -0.25 -0.13 0.99 -1.11 0.00 0.00 175.55 175.13 1sn5 s THR 106 N 0.38 2.78 -0.49 -0.71 2.01 0.15 0.49 115.64 120.24 1sn5 s THR 106 Ca -0.11 -0.72 -0.19 0.00 0.31 0.00 0.00 61.69 60.98 1sn5 s THR 106 Cb -0.16 -2.20 0.05 0.00 0.01 0.00 0.00 72.50 70.21 1sn5 s THR 106 CO 0.06 0.50 0.60 -0.76 -0.69 0.00 0.00 174.62 174.32 1sn5 s LEU 107 N 1.01 4.98 -0.15 4.42 1.43 0.13 -0.95 118.68 129.56 1sn5 s LEU 107 Ca -0.01 -0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 52.00 1sn5 s LEU 107 Cb -0.15 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 1sn5 s LEU 107 CO -0.03 -0.85 0.54 0.00 0.23 0.00 0.00 176.35 176.25 1sn5 s ALA 108 N 2.53 3.49 -0.07 4.21 0.00 0.30 -0.98 121.76 131.24 1sn5 s ALA 108 Ca 0.14 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1sn5 s ALA 108 Cb -0.19 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 20.16 1sn5 s ALA 108 CO 0.12 -0.24 -0.13 -1.17 0.00 0.00 0.00 175.76 174.34 1sn5 s LEU 109 N 1.17 1.67 -0.22 0.00 2.96 0.25 -1.23 118.68 123.29 1sn5 s LEU 109 Ca 0.27 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 1sn5 s LEU 109 Cb -0.16 -0.88 0.02 0.00 0.50 0.00 0.00 46.19 45.67 1sn5 s LEU 109 CO 0.11 0.04 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.84 1sn5 s LEU 110 N 0.68 2.74 -0.10 -0.68 2.96 -0.29 -0.20 118.68 123.79 1sn5 s LEU 110 Ca -0.14 -0.76 0.00 0.00 -0.22 0.00 0.00 54.13 53.01 1sn5 s LEU 110 Cb -0.16 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 1sn5 s LEU 110 CO 0.04 -0.06 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.14 1sn5 s LEU 111 N 1.31 2.92 0.12 -0.68 1.43 0.27 -1.48 118.68 122.58 1sn5 s LEU 111 Ca 0.02 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.97 1sn5 s LEU 111 Cb -0.15 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1sn5 s LEU 111 CO -0.08 0.25 -0.09 -0.44 0.23 0.00 0.00 176.35 176.22 1sn5 s SER 112 N -0.17 1.55 0.34 2.29 0.01 0.44 -0.63 113.70 117.53 1sn5 s SER 112 Ca 0.01 -0.97 0.08 0.00 1.31 0.00 0.00 55.95 56.38 1sn5 s SER 112 Cb -0.13 0.02 0.78 0.00 0.21 0.00 0.00 66.02 66.90 1sn5 s SER 112 CO 0.03 -0.35 1.86 -0.65 0.41 0.00 0.00 173.24 174.54 1sn5 h PRO 113 N 3.00 0.71 -0.18 12.44 0.11 -1.99 -2.53 132.00 143.57 1sn5 h PRO 113 Ca -0.36 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1sn5 h PRO 113 Cb 1.18 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1sn5 h PRO 113 CO 0.61 0.47 -0.01 1.19 -0.21 0.00 0.00 178.00 180.06 1sn5 n PHE 114 N -4.58 0.64 -3.60 0.65 3.01 -1.26 -0.81 117.46 111.51 1sn5 n PHE 114 Ca 0.18 -0.95 -0.12 0.00 1.01 0.00 0.00 57.45 57.56 1sn5 n PHE 114 Cb 0.46 -0.27 -0.06 0.00 -0.01 0.00 0.00 39.48 39.60 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 -0.55 0.04 4.37 0.15 -0.95 -4.94 113.70 109.54 1sn5 s SER 115 Ca 0.39 0.89 -0.06 0.00 0.70 0.00 0.00 55.95 57.87 1sn5 s SER 115 Cb 0.33 0.84 -0.01 0.00 -1.71 0.00 0.00 66.02 65.47 1sn5 s SER 115 CO 0.06 -0.30 0.12 -0.72 1.20 0.00 0.00 173.24 173.60 1sn5 s TYR 116 N -0.27 0.18 -0.14 3.44 -0.85 -1.26 -0.42 117.35 118.03 1sn5 s TYR 116 Ca -0.01 -0.49 0.02 0.00 -0.52 0.00 0.00 57.07 56.07 1sn5 s TYR 116 Cb -0.03 -0.13 0.01 0.00 0.38 0.00 0.00 41.96 42.19 1sn5 s TYR 116 CO 0.00 -0.39 -0.22 0.99 -1.52 0.00 0.00 175.55 174.41 1sn5 s THR 117 N -2.76 2.04 -0.22 -3.49 2.01 -0.55 -4.97 115.64 107.71 1sn5 s THR 117 Ca -0.04 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.95 1sn5 s THR 117 Cb -0.00 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 1sn5 s THR 117 CO -0.05 0.55 -0.02 0.28 -0.69 0.00 0.00 174.62 174.69 1sn5 s THR 118 N 0.82 3.60 0.12 -0.82 -1.32 -1.26 -1.14 115.64 115.63 1sn5 s THR 118 Ca -0.07 -0.42 0.05 0.00 -1.21 0.00 0.00 61.69 60.05 1sn5 s THR 118 Cb -0.15 -2.64 -0.04 0.00 -1.51 0.00 0.00 72.50 68.16 1sn5 s THR 118 CO -0.02 0.41 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.78 1sn5 s THR 119 N 1.41 1.26 -0.01 5.08 2.01 -0.36 -5.02 115.64 120.01 1sn5 s THR 119 Ca 0.05 -1.70 0.06 0.00 0.31 0.00 0.00 61.69 60.41 1sn5 s THR 119 Cb -0.14 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.86 1sn5 s THR 119 CO -0.01 -0.44 -0.18 0.00 -0.69 0.00 0.00 174.62 173.30 1sn5 s ALA 120 N -2.18 1.53 -0.19 7.40 0.00 -1.26 -0.54 121.76 126.52 1sn5 s ALA 120 Ca 0.08 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.23 1sn5 s ALA 120 Cb -0.05 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.70 1sn5 s ALA 120 CO 0.02 0.37 -0.14 0.08 0.00 0.00 0.00 175.76 176.10 1sn5 s VAL 121 N -0.46 2.56 -0.33 0.00 1.01 -0.12 -4.97 120.40 118.08 1sn5 s VAL 121 Ca 0.07 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1sn5 s VAL 121 Cb -0.07 -2.11 0.09 0.00 0.00 0.00 0.00 36.38 34.28 1sn5 s VAL 121 CO -0.01 0.50 0.05 -0.69 0.00 0.00 0.00 175.10 174.95 1sn5 s VAL 122 N 1.31 2.57 0.34 2.92 1.01 -1.26 -0.68 120.40 126.62 1sn5 s VAL 122 Ca 0.04 -2.02 -0.29 0.00 0.00 0.00 0.00 61.98 59.72 1sn5 s VAL 122 Cb -0.14 -2.74 -0.11 0.00 0.00 0.00 0.00 36.38 33.40 1sn5 s VAL 122 CO -0.09 -0.45 1.40 -0.94 0.00 0.00 0.00 175.10 175.03 1sn5 s SER 123 N 1.19 6.57 0.69 3.32 1.04 -0.40 -4.93 113.70 121.18 1sn5 s SER 123 Ca 0.04 2.85 0.00 0.00 0.48 0.00 0.00 55.95 59.32 1sn5 s SER 123 Cb -0.20 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.26 1sn5 s SER 123 CO -0.06 -0.70 0.00 -1.54 0.98 0.00 0.00 173.24 171.92 1sn5 n SER 124 N 0.80 -0.24 -0.62 7.02 3.41 -1.26 -3.61 113.62 119.13 1sn5 n SER 124 Ca 0.01 -0.57 0.08 0.00 -0.26 0.00 0.00 58.87 58.12 1sn5 n SER 124 Cb 0.40 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1sn5 n SER 124 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21