#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sn2 s LEU 12 N 0.00 3.93 0.24 2.45 2.96 -1.26 0.19 118.68 127.19 1sn2 s LEU 12 Ca 0.00 -0.29 0.10 0.00 -0.22 0.00 0.00 54.13 53.72 1sn2 s LEU 12 Cb 0.00 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 1sn2 s LEU 12 CO 0.00 -0.11 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.70 1sn2 s MET 13 N 1.66 1.49 0.10 1.98 -1.94 0.13 -4.63 119.30 118.09 1sn2 s MET 13 Ca 0.06 -1.66 0.04 0.00 -1.71 0.00 0.00 55.69 52.41 1sn2 s MET 13 Cb -0.16 -1.44 -0.04 0.00 2.01 0.00 0.00 34.83 35.21 1sn2 s MET 13 CO 0.07 0.26 -0.10 0.14 -0.01 0.00 0.00 175.02 175.38 1sn2 s VAL 14 N -2.71 0.95 -0.24 -6.03 -7.23 -1.26 -0.70 120.40 103.19 1sn2 s VAL 14 Ca 0.26 -1.68 -0.03 0.00 -1.81 0.00 0.00 61.98 58.71 1sn2 s VAL 14 Cb -0.03 -1.41 0.11 0.00 0.56 0.00 0.00 36.38 35.61 1sn2 s VAL 14 CO 0.11 -0.58 0.26 -0.75 -0.31 0.00 0.00 175.10 173.82 1sn2 s LYS 15 N -2.91 0.25 -0.20 4.82 2.47 -0.45 -4.33 119.74 119.39 1sn2 s LYS 15 Ca 0.07 0.12 -0.06 0.00 -1.56 0.00 0.00 55.97 54.53 1sn2 s LYS 15 Cb -0.02 -0.95 -0.03 0.00 -1.46 0.00 0.00 37.83 35.37 1sn2 s LYS 15 CO -0.00 -0.78 0.04 0.42 0.16 0.00 0.00 175.35 175.19 1sn2 s ILE 16 N 2.36 4.37 0.05 5.43 1.01 -0.45 -1.17 121.20 132.80 1sn2 s ILE 16 Ca 0.08 -0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.63 1sn2 s ILE 16 Cb -0.15 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 1sn2 s ILE 16 CO -0.20 0.42 -0.17 -0.76 0.00 0.00 0.00 174.94 174.23 1sn2 s LEU 17 N 0.90 2.68 -0.33 2.97 1.43 0.67 -0.52 118.68 126.47 1sn2 s LEU 17 Ca 0.03 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1sn2 s LEU 17 Cb -0.14 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 1sn2 s LEU 17 CO 0.02 0.24 0.21 -0.62 0.23 0.00 0.00 176.35 176.44 1sn2 s ASP 18 N -1.58 5.89 0.02 2.29 3.68 0.45 -0.44 116.67 126.97 1sn2 s ASP 18 Ca 0.16 -0.49 0.28 0.00 2.13 0.00 0.00 52.55 54.63 1sn2 s ASP 18 Cb -0.11 -2.09 1.19 0.00 -1.45 0.00 0.00 42.92 40.46 1sn2 s ASP 18 CO 0.07 -0.23 1.90 0.00 0.13 0.00 0.00 175.17 177.04 1sn2 n ALA 19 N 5.06 2.31 -0.08 3.66 0.00 0.30 -1.17 120.51 130.59 1sn2 n ALA 19 Ca -0.13 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.03 1sn2 n ALA 19 Cb 0.49 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.36 1sn2 n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sn2 h VAL 20 N 0.00 1.23 0.00 0.00 2.07 -1.93 -3.40 116.25 114.22 1sn2 h VAL 20 Ca 0.00 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.25 1sn2 h VAL 20 Cb 0.51 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1sn2 h VAL 20 CO 0.00 0.47 -0.82 0.11 0.02 0.00 0.00 177.57 177.35 1sn2 h LYS 21 N -0.90 0.00 -2.42 1.57 1.79 -1.93 -3.48 116.57 111.20 1sn2 h LYS 21 Ca -0.22 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.02 1sn2 h LYS 21 Cb 1.26 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.93 1sn2 h LYS 21 CO -0.10 0.00 -0.33 0.41 -1.08 0.00 0.00 179.45 178.35 1sn2 n GLY 22 N 1.26 -0.03 3.19 3.86 0.00 -0.32 -5.03 105.19 108.13 1sn2 n GLY 22 Ca 0.02 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 1sn2 n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sn2 s THR 23 N -2.80 0.27 0.88 2.61 -4.23 -1.21 -5.01 115.64 106.16 1sn2 s THR 23 Ca 0.12 -1.95 -0.11 0.00 -1.18 0.00 0.00 61.69 58.58 1sn2 s THR 23 Cb -0.05 -2.18 0.13 0.00 1.34 0.00 0.00 72.50 71.74 1sn2 s THR 23 CO 0.15 -0.36 1.15 -2.84 -0.54 0.00 0.00 174.62 172.18 1sn2 s PRO 24 N -4.03 1.22 -0.48 3.99 0.02 -1.26 -0.41 135.00 134.04 1sn2 s PRO 24 Ca 0.27 1.56 -0.17 0.00 0.02 0.00 0.00 61.00 62.68 1sn2 s PRO 24 Cb 0.07 -1.75 0.06 0.00 0.02 0.00 0.00 34.50 32.90 1sn2 s PRO 24 CO 0.05 -2.49 0.47 0.00 -0.33 0.00 0.00 177.00 174.70 1sn2 s ALA 25 N -2.59 3.49 0.34 -1.55 0.00 0.33 -4.50 121.76 117.29 1sn2 s ALA 25 Ca 0.67 -1.94 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 1sn2 s ALA 25 Cb -0.23 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 1sn2 s ALA 25 CO 0.56 -1.81 0.70 0.20 0.00 0.00 0.00 175.76 175.42 1sn2 s GLY 26 N 2.55 2.08 -1.20 0.00 0.00 -1.26 -4.11 107.32 105.39 1sn2 s GLY 26 Ca 0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 44.72 44.56 1sn2 s GLY 26 CO 0.09 -0.02 0.72 1.44 0.00 0.00 0.00 173.10 175.33 1sn2 n SER 27 N -0.85 -5.44 -4.61 1.64 7.64 -0.56 -4.95 113.62 106.49 1sn2 n SER 27 Ca 0.02 -0.33 -0.40 0.00 1.01 0.00 0.00 58.87 59.17 1sn2 n SER 27 Cb 0.54 -4.17 -0.07 0.00 -1.01 0.00 0.00 64.21 59.49 1sn2 n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1sn2 s VAL 28 N -3.16 5.04 0.20 0.44 1.01 -1.26 -4.76 120.40 117.91 1sn2 s VAL 28 Ca 0.36 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 1sn2 s VAL 28 Cb -0.16 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 1sn2 s VAL 28 CO 0.44 0.02 1.05 0.00 0.00 0.00 0.00 175.10 176.62 1sn2 s ALA 29 N 2.37 3.36 0.09 5.51 0.00 -1.26 -1.14 121.76 130.69 1sn2 s ALA 29 Ca 0.22 0.77 -0.06 0.00 0.00 0.00 0.00 51.96 52.89 1sn2 s ALA 29 Cb -0.15 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1sn2 s ALA 29 CO 0.10 -0.10 0.13 -0.48 0.00 0.00 0.00 175.76 175.40 1sn2 s LEU 30 N -0.68 1.71 0.01 0.00 0.05 0.13 -0.41 118.68 119.49 1sn2 s LEU 30 Ca 0.47 -0.81 0.01 0.00 0.05 0.00 0.00 54.13 53.84 1sn2 s LEU 30 Cb -0.29 0.76 -0.01 0.00 -2.05 0.00 0.00 46.19 44.61 1sn2 s LEU 30 CO 0.35 -0.71 -0.03 -1.59 -0.55 0.00 0.00 176.35 173.82 1sn2 s LYS 31 N -3.90 0.22 -0.16 1.48 -2.85 -0.52 -1.46 119.74 112.54 1sn2 s LYS 31 Ca 0.08 -0.25 -0.02 0.00 -1.00 0.00 0.00 55.97 54.78 1sn2 s LYS 31 Cb 0.06 -0.10 -0.02 0.00 -2.06 0.00 0.00 37.83 35.71 1sn2 s LYS 31 CO -0.09 0.02 -0.09 0.08 0.10 0.00 0.00 175.35 175.37 1sn2 s VAL 32 N -0.49 3.29 0.13 1.79 1.01 0.56 -1.02 120.40 125.67 1sn2 s VAL 32 Ca -0.04 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.46 1sn2 s VAL 32 Cb -0.04 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1sn2 s VAL 32 CO -0.00 0.50 -0.20 -0.44 0.00 0.00 0.00 175.10 174.96 1sn2 s SER 33 N 0.61 2.58 -0.08 3.32 0.01 0.46 -0.54 113.70 120.06 1sn2 s SER 33 Ca -0.05 -0.77 0.04 0.00 1.31 0.00 0.00 55.95 56.48 1sn2 s SER 33 Cb -0.15 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 1sn2 s SER 33 CO 0.03 0.01 -0.23 -1.58 0.41 0.00 0.00 173.24 171.88 1sn2 s GLN 34 N -2.32 2.87 0.28 12.44 0.74 0.75 -0.89 119.66 133.52 1sn2 s GLN 34 Ca 0.10 -0.87 -0.29 0.00 0.05 0.00 0.00 55.36 54.35 1sn2 s GLN 34 Cb -0.08 -2.28 -0.10 0.00 1.10 0.00 0.00 33.01 31.66 1sn2 s GLN 34 CO 0.05 0.27 1.29 0.21 -0.55 0.00 0.00 175.29 176.56 1sn2 s LYS 35 N 0.11 4.40 0.34 1.67 2.20 0.22 -1.18 119.74 127.51 1sn2 s LYS 35 Ca -0.11 2.11 0.07 0.00 -0.36 0.00 0.00 55.97 57.68 1sn2 s LYS 35 Cb -0.16 -3.13 -0.01 0.00 -1.51 0.00 0.00 37.83 33.02 1sn2 s LYS 35 CO 0.06 -0.17 0.47 0.95 -0.36 0.00 0.00 175.35 176.31 1sn2 s THR 36 N -0.66 3.94 0.24 3.43 -4.23 0.34 -4.76 115.64 113.94 1sn2 s THR 36 Ca 0.52 -1.01 -0.08 0.00 -1.18 0.00 0.00 61.69 59.93 1sn2 s THR 36 Cb -0.38 -3.36 0.25 0.00 1.34 0.00 0.00 72.50 70.36 1sn2 s THR 36 CO 0.46 -0.14 1.64 0.00 -0.54 0.00 0.00 174.62 176.04 1sn2 h ALA 37 N 0.88 0.74 -0.00 3.99 0.00 -1.96 -0.08 119.26 122.83 1sn2 h ALA 37 Ca -0.45 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1sn2 h ALA 37 Cb 1.26 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1sn2 h ALA 37 CO 0.52 -0.41 0.00 -0.40 0.00 0.00 0.00 179.25 178.96 1sn2 n ASP 38 N -5.32 0.01 0.00 0.00 5.75 -1.26 -4.83 116.55 110.90 1sn2 n ASP 38 Ca 0.12 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 1sn2 n ASP 38 Cb 0.44 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1sn2 n ASP 38 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sn2 n GLY 39 N 0.62 0.66 0.00 6.12 0.00 -0.04 -5.07 105.19 107.48 1sn2 n GLY 39 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1sn2 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sn2 n GLY 40 N -2.60 1.15 3.06 -0.02 0.00 -1.24 -4.82 105.19 100.71 1sn2 n GLY 40 Ca 0.00 -2.00 -0.18 0.00 0.00 0.00 0.00 46.02 43.83 1sn2 n GLY 40 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sn2 s TRP 41 N 0.57 0.92 -0.06 1.61 0.52 -1.26 -0.51 118.94 120.72 1sn2 s TRP 41 Ca 0.00 -0.26 0.04 0.00 0.02 0.00 0.00 56.10 55.91 1sn2 s TRP 41 Cb 0.00 -0.57 -0.00 0.00 -1.15 0.00 0.00 33.47 31.75 1sn2 s TRP 41 CO 0.00 -0.01 -0.19 -0.08 0.02 0.00 0.00 176.95 176.69 1sn2 s THR 42 N -0.55 1.65 -0.10 2.01 -1.32 -0.32 -4.92 115.64 112.08 1sn2 s THR 42 Ca 0.01 -0.81 -0.30 0.00 -1.21 0.00 0.00 61.69 59.38 1sn2 s THR 42 Cb -0.06 -1.42 -0.02 0.00 -1.51 0.00 0.00 72.50 69.49 1sn2 s THR 42 CO 0.00 0.47 1.05 -1.58 -2.21 0.00 0.00 174.62 172.35 1sn2 s GLN 43 N 0.17 4.40 -0.03 7.08 0.74 -1.26 -0.18 119.66 130.59 1sn2 s GLN 43 Ca -0.09 1.46 0.13 0.00 0.05 0.00 0.00 55.36 56.90 1sn2 s GLN 43 Cb -0.14 -3.55 -0.19 0.00 1.10 0.00 0.00 33.01 30.23 1sn2 s GLN 43 CO 0.04 -0.35 0.26 0.44 -0.55 0.00 0.00 175.29 175.13 1sn2 n ILE 44 N 4.57 0.07 -3.53 -2.34 -5.35 0.30 -4.95 119.36 108.13 1sn2 n ILE 44 Ca 0.09 -0.31 -0.12 0.00 -0.27 0.00 0.00 62.75 62.15 1sn2 n ILE 44 Cb 0.48 0.13 -0.04 0.00 -1.74 0.00 0.00 39.64 38.47 1sn2 n ILE 44 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sn2 s ALA 45 N -2.84 -1.84 0.20 -1.28 0.00 -1.09 -5.00 121.76 109.90 1sn2 s ALA 45 Ca -0.05 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.21 1sn2 s ALA 45 Cb 0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 1sn2 s ALA 45 CO 0.53 -0.47 0.02 0.95 0.00 0.00 0.00 175.76 176.79 1sn2 s THR 46 N -1.92 0.67 0.00 0.00 -4.23 -1.26 -0.33 115.64 108.57 1sn2 s THR 46 Ca -0.01 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1sn2 s THR 46 Cb -0.01 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.58 1sn2 s THR 46 CO -0.01 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 1sn2 n GLY 47 N -0.30 -0.82 2.90 3.99 0.00 -0.54 -4.98 105.19 105.43 1sn2 n GLY 47 Ca -0.05 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.78 1sn2 n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sn2 s VAL 48 N -2.00 0.42 0.54 1.61 1.01 -1.26 -0.69 120.40 120.03 1sn2 s VAL 48 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 1sn2 s VAL 48 Cb 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 1sn2 s VAL 48 CO 0.00 0.17 1.27 0.42 0.00 0.00 0.00 175.10 176.95 1sn2 s THR 49 N 0.53 2.48 0.14 3.92 -4.23 -0.29 -4.82 115.64 113.36 1sn2 s THR 49 Ca -0.06 0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 60.76 1sn2 s THR 49 Cb -0.10 -3.16 0.03 0.00 1.34 0.00 0.00 72.50 70.61 1sn2 s THR 49 CO -0.00 -0.02 0.18 -0.90 -0.54 0.00 0.00 174.62 173.34 1sn2 n ASP 50 N -1.09 0.01 0.17 3.99 5.68 0.54 -1.50 116.55 124.36 1sn2 n ASP 50 Ca 0.11 -1.07 0.13 0.00 -0.50 0.00 0.00 54.79 53.46 1sn2 n ASP 50 Cb 0.47 -0.14 0.61 0.00 -1.14 0.00 0.00 41.12 40.92 1sn2 n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sn2 h ALA 51 N -1.97 1.00 -0.33 2.12 0.00 -1.92 -1.83 119.26 116.33 1sn2 h ALA 51 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sn2 h ALA 51 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1sn2 h ALA 51 CO 0.04 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.54 1sn2 n THR 52 N -2.38 0.43 -1.24 0.00 -2.24 -1.26 -4.60 114.28 102.98 1sn2 n THR 52 Ca 0.00 -0.59 -0.05 0.00 -2.27 0.00 0.00 64.05 61.14 1sn2 n THR 52 Cb 0.14 0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 69.00 1sn2 n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sn2 n GLY 53 N 1.34 0.67 3.53 3.38 0.00 -0.69 -4.72 105.19 108.70 1sn2 n GLY 53 Ca 0.18 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 1sn2 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sn2 s GLU 54 N -2.60 1.78 -0.15 1.61 2.02 -1.26 -1.34 118.70 118.76 1sn2 s GLU 54 Ca 0.00 -1.96 -0.02 0.00 0.02 0.00 0.00 54.97 53.01 1sn2 s GLU 54 Cb 0.00 -1.42 0.05 0.00 0.10 0.00 0.00 34.13 32.85 1sn2 s GLU 54 CO 0.00 0.00 0.03 0.42 0.02 0.00 0.00 175.26 175.73 1sn2 s ILE 55 N -2.84 0.42 0.17 -1.63 1.01 -1.26 -0.34 121.20 116.73 1sn2 s ILE 55 Ca 0.33 -0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.54 1sn2 s ILE 55 Cb 0.06 -0.82 -0.07 0.00 0.01 0.00 0.00 42.46 41.64 1sn2 s ILE 55 CO 0.16 -0.05 0.60 -1.00 0.00 0.00 0.00 174.94 174.65 1sn2 s HIS 56 N 1.92 3.61 -1.30 3.97 3.76 -1.26 -4.04 115.29 121.94 1sn2 s HIS 56 Ca 0.01 1.15 -0.01 0.00 -0.15 0.00 0.00 55.06 56.07 1sn2 s HIS 56 Cb -0.15 -2.44 -0.00 0.00 1.11 0.00 0.00 32.58 31.09 1sn2 s HIS 56 CO -0.07 0.39 0.68 0.09 -0.85 0.00 0.00 174.74 174.98 1sn2 n ASN 57 N 0.72 -1.41 -0.10 1.40 3.02 -1.26 -4.90 115.26 112.74 1sn2 n ASN 57 Ca -0.04 -0.84 -0.11 0.00 -0.03 0.00 0.00 54.58 53.56 1sn2 n ASN 57 Cb 0.52 -3.97 -0.03 0.00 -0.61 0.00 0.00 39.78 35.68 1sn2 n ASN 57 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1sn2 h LEU 58 N -1.85 0.50 -8.49 3.41 5.85 -1.82 -3.46 115.31 109.44 1sn2 h LEU 58 Ca -0.62 -0.30 -0.25 0.00 0.84 0.00 0.00 57.88 57.55 1sn2 h LEU 58 Cb 1.36 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 42.17 1sn2 h LEU 58 CO 0.56 0.68 -0.19 0.27 -0.34 0.00 0.00 178.44 179.42 1sn2 s ILE 59 N -5.02 0.00 0.38 4.05 -4.36 -1.26 -4.85 121.20 110.14 1sn2 s ILE 59 Ca -0.13 -1.58 0.08 0.00 -0.26 0.00 0.00 60.65 58.75 1sn2 s ILE 59 Cb 0.08 -2.60 -0.05 0.00 1.25 0.00 0.00 42.46 41.14 1sn2 s ILE 59 CO 0.76 0.00 0.11 0.42 0.24 0.00 0.00 174.94 176.47 1sn2 s THR 60 N -3.16 2.49 0.15 8.37 -4.23 -1.26 -4.61 115.64 113.39 1sn2 s THR 60 Ca 0.30 -1.80 -0.22 0.00 -1.18 0.00 0.00 61.69 58.79 1sn2 s THR 60 Cb -0.00 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 70.92 1sn2 s THR 60 CO 0.19 -0.09 1.64 -0.33 -0.54 0.00 0.00 174.62 175.49 1sn2 h GLU 61 N 1.58 -0.22 -0.28 3.99 3.07 -2.02 -1.66 114.58 119.05 1sn2 h GLU 61 Ca -0.43 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.41 1sn2 h GLU 61 Cb 1.25 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.20 1sn2 h GLU 61 CO 0.69 -0.15 0.02 1.96 -1.40 0.00 0.00 179.01 180.13 1sn2 h GLN 62 N -0.23 0.41 0.00 2.33 1.08 -2.01 -1.67 115.11 115.02 1sn2 h GLN 62 Ca 0.13 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1sn2 h GLN 62 Cb 0.42 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1sn2 h GLN 62 CO -0.35 0.43 0.00 0.94 -0.95 0.00 0.00 178.83 178.90 1sn2 n GLN 63 N -4.34 0.28 -3.16 1.46 7.27 -0.69 -4.09 117.38 114.11 1sn2 n GLN 63 Ca 0.01 0.06 -0.26 0.00 0.07 0.00 0.00 57.00 56.88 1sn2 n GLN 63 Cb 0.20 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.30 1sn2 n GLN 63 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1sn2 n PHE 64 N -1.33 3.06 -2.11 3.69 7.35 -0.63 -4.88 117.46 122.61 1sn2 n PHE 64 Ca 0.10 -3.99 -0.27 0.00 -0.76 0.00 0.00 57.45 52.53 1sn2 n PHE 64 Cb 0.22 -0.49 0.08 0.00 0.35 0.00 0.00 39.48 39.63 1sn2 n PHE 64 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1sn2 s PRO 65 N -2.79 2.03 0.38 -7.13 0.04 -1.26 -4.71 135.00 121.57 1sn2 s PRO 65 Ca 0.43 -0.19 -0.25 0.00 0.04 0.00 0.00 61.00 61.03 1sn2 s PRO 65 Cb 0.23 -2.10 -0.12 0.00 0.04 0.00 0.00 34.50 32.56 1sn2 s PRO 65 CO -0.08 -1.41 1.03 0.00 0.04 0.00 0.00 177.00 176.57 1sn2 n ALA 66 N -3.07 0.17 0.00 8.56 0.00 -1.26 -4.87 120.51 120.03 1sn2 n ALA 66 Ca 0.09 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1sn2 n ALA 66 Cb 0.61 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1sn2 n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sn2 n GLY 67 N 1.16 -1.53 3.74 0.00 0.00 -0.88 -4.98 105.19 102.70 1sn2 n GLY 67 Ca 0.09 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 1sn2 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sn2 s VAL 68 N -1.70 5.22 0.23 1.61 1.01 -1.26 0.35 120.40 125.86 1sn2 s VAL 68 Ca 0.00 0.76 0.11 0.00 0.00 0.00 0.00 61.98 62.85 1sn2 s VAL 68 Cb 0.00 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1sn2 s VAL 68 CO 0.00 0.39 -0.21 -0.31 0.00 0.00 0.00 175.10 174.97 1sn2 s TYR 69 N 0.29 2.22 -0.06 5.22 1.51 0.94 -0.61 117.35 126.87 1sn2 s TYR 69 Ca 0.22 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 1sn2 s TYR 69 Cb -0.14 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.70 1sn2 s TYR 69 CO 0.08 0.58 -0.06 0.50 -1.11 0.00 0.00 175.55 175.54 1sn2 s ARG 70 N -3.14 1.10 -0.21 -0.62 3.52 -0.07 -1.28 118.95 118.25 1sn2 s ARG 70 Ca 0.25 -0.17 -0.01 0.00 -0.13 0.00 0.00 55.73 55.66 1sn2 s ARG 70 Cb -0.06 -1.08 0.01 0.00 -1.56 0.00 0.00 34.95 32.27 1sn2 s ARG 70 CO 0.12 -0.10 -0.11 0.08 -0.81 0.00 0.00 175.30 174.48 1sn2 s VAL 71 N 1.07 2.69 -0.25 7.11 1.01 0.16 -0.40 120.40 131.79 1sn2 s VAL 71 Ca -0.08 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1sn2 s VAL 71 Cb -0.14 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1sn2 s VAL 71 CO -0.01 0.40 0.14 -1.61 0.00 0.00 0.00 175.10 174.02 1sn2 s GLU 72 N 1.35 3.96 -0.17 2.72 2.02 -0.19 -0.56 118.70 127.83 1sn2 s GLU 72 Ca 0.04 -0.33 -0.04 0.00 0.02 0.00 0.00 54.97 54.66 1sn2 s GLU 72 Cb -0.15 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 1sn2 s GLU 72 CO -0.07 -0.03 -0.03 -0.06 0.02 0.00 0.00 175.26 175.10 1sn2 s PHE 73 N 1.27 3.03 -1.32 1.61 0.40 0.63 -1.44 117.98 122.16 1sn2 s PHE 73 Ca 0.07 -0.37 -0.14 0.00 -0.60 0.00 0.00 56.93 55.89 1sn2 s PHE 73 Cb -0.14 -2.00 0.11 0.00 0.51 0.00 0.00 43.02 41.49 1sn2 s PHE 73 CO 0.06 -0.11 1.82 -3.47 0.70 0.00 0.00 175.22 174.22 1sn2 n ASP 74 N 3.79 4.76 0.16 1.36 -0.08 0.45 -1.45 116.55 125.55 1sn2 n ASP 74 Ca -0.17 -2.95 0.04 0.00 -1.51 0.00 0.00 54.79 50.20 1sn2 n ASP 74 Cb 0.52 -1.63 0.12 0.00 2.34 0.00 0.00 41.12 42.47 1sn2 n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1sn2 h THR 75 N 4.59 0.79 -0.52 5.18 1.35 -1.86 -3.13 112.91 119.30 1sn2 h THR 75 Ca 0.44 -1.95 -0.04 0.00 -0.55 0.00 0.00 66.41 64.31 1sn2 h THR 75 Cb 0.76 2.27 -0.02 0.00 -1.73 0.00 0.00 68.15 69.43 1sn2 h THR 75 CO 1.55 0.42 0.17 0.50 -0.25 0.00 0.00 175.52 177.91 1sn2 h LYS 76 N 0.00 0.81 -0.45 4.72 3.64 -1.74 -1.29 116.57 122.25 1sn2 h LYS 76 Ca -0.00 -0.17 -0.10 0.00 -1.27 0.00 0.00 60.65 59.10 1sn2 h LYS 76 Cb 1.23 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1sn2 h LYS 76 CO 0.06 0.75 -0.11 0.00 -2.27 0.00 0.00 179.45 177.87 1sn2 h ALA 77 N 1.03 0.95 -0.41 5.00 0.00 -1.89 -1.20 119.26 122.74 1sn2 h ALA 77 Ca 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1sn2 h ALA 77 Cb 0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1sn2 h ALA 77 CO -0.01 0.62 0.23 -0.92 0.00 0.00 0.00 179.25 179.17 1sn2 h TYR 78 N 0.74 0.56 -0.26 0.00 3.20 -1.40 -0.96 116.97 118.85 1sn2 h TYR 78 Ca 0.12 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 1sn2 h TYR 78 Cb 0.61 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1sn2 h TYR 78 CO 0.03 0.43 -0.18 -1.49 -1.64 0.00 0.00 178.16 175.32 1sn2 h TRP 79 N 0.53 0.68 -0.70 -3.82 4.06 -1.09 -2.54 115.95 113.07 1sn2 h TRP 79 Ca 0.14 -0.18 0.11 0.00 2.06 0.00 0.00 58.89 61.02 1sn2 h TRP 79 Cb 0.05 -0.15 -0.08 0.00 -1.00 0.00 0.00 29.16 27.98 1sn2 h TRP 79 CO -0.02 0.86 0.31 1.15 -3.56 0.00 0.00 178.44 177.18 1sn2 h THR 80 N 0.31 0.78 0.00 1.49 2.02 -1.05 -0.01 112.91 116.44 1sn2 h THR 80 Ca 0.05 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1sn2 h THR 80 Cb 0.71 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1sn2 h THR 80 CO 0.05 0.09 -0.06 -1.13 0.37 0.00 0.00 175.52 174.84 1sn2 h ASN 81 N 0.52 0.00 0.29 4.18 -1.24 -1.08 -2.37 115.58 115.88 1sn2 h ASN 81 Ca 0.36 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.37 1sn2 h ASN 81 Cb 0.44 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.49 1sn2 h ASN 81 CO -0.31 0.06 -0.43 1.67 -1.29 0.00 0.00 177.43 177.13 1sn2 n GLN 82 N -3.22 0.49 -0.22 6.67 -0.06 -0.13 -4.96 117.38 115.94 1sn2 n GLN 82 Ca -0.00 -0.31 0.00 0.00 -2.00 0.00 0.00 57.00 54.69 1sn2 n GLN 82 Cb 0.30 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.99 1sn2 n GLN 82 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1sn2 n GLY 83 N 1.42 0.88 3.63 1.69 0.00 -0.56 -5.08 105.19 107.17 1sn2 n GLY 83 Ca 0.09 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1sn2 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sn2 s SER 84 N -2.06 4.54 -0.26 1.61 0.01 -0.67 -5.01 113.70 111.87 1sn2 s SER 84 Ca 0.00 -0.55 -0.08 0.00 1.31 0.00 0.00 55.95 56.63 1sn2 s SER 84 Cb 0.00 -0.87 -0.03 0.00 0.21 0.00 0.00 66.02 65.33 1sn2 s SER 84 CO 0.00 0.05 0.09 0.42 0.41 0.00 0.00 173.24 174.22 1sn2 s THR 85 N -1.98 4.45 0.61 1.44 -4.23 -1.26 -3.26 115.64 111.42 1sn2 s THR 85 Ca 0.28 -0.17 -0.04 0.00 -1.18 0.00 0.00 61.69 60.58 1sn2 s THR 85 Cb -0.08 -3.12 0.04 0.00 1.34 0.00 0.00 72.50 70.68 1sn2 s THR 85 CO 0.18 0.29 0.90 -2.16 -0.54 0.00 0.00 174.62 173.29 1sn2 s PRO 86 N 1.63 2.54 -0.18 3.99 0.04 -1.26 -4.86 135.00 136.90 1sn2 s PRO 86 Ca 0.06 -0.34 -0.23 0.00 0.04 0.00 0.00 61.00 60.53 1sn2 s PRO 86 Cb -0.15 -2.31 -0.20 0.00 0.04 0.00 0.00 34.50 31.87 1sn2 s PRO 86 CO 0.05 -0.89 0.38 0.35 0.04 0.00 0.00 177.00 176.93 1sn2 h PHE 87 N -0.24 0.00 -3.80 0.56 3.57 -1.28 -3.48 116.94 112.27 1sn2 h PHE 87 Ca -0.44 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.57 1sn2 h PHE 87 Cb 1.29 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1sn2 h PHE 87 CO 0.39 1.22 0.39 -1.01 -2.23 0.00 0.00 178.31 177.06 1sn2 s HIS 88 N -2.29 3.79 0.02 0.41 3.76 -1.26 -4.95 115.29 114.77 1sn2 s HIS 88 Ca -0.24 1.82 0.14 0.00 -0.15 0.00 0.00 55.06 56.63 1sn2 s HIS 88 Cb 0.02 -3.06 0.21 0.00 1.11 0.00 0.00 32.58 30.86 1sn2 s HIS 88 CO 0.59 0.08 1.51 1.49 -0.85 0.00 0.00 174.74 177.56 1sn2 h GLU 89 N 3.80 0.00 -2.35 1.40 4.57 -1.98 -3.38 114.58 116.65 1sn2 h GLU 89 Ca -0.46 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 57.86 1sn2 h GLU 89 Cb 1.20 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.68 1sn2 h GLU 89 CO 0.67 0.57 0.48 0.54 -1.18 0.00 0.00 179.01 180.09 1sn2 s VAL 90 N -3.14 0.00 -0.17 0.32 0.11 -1.26 -4.26 120.40 112.01 1sn2 s VAL 90 Ca 0.02 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 1sn2 s VAL 90 Cb 0.09 -1.51 0.02 0.00 -1.53 0.00 0.00 36.38 33.45 1sn2 s VAL 90 CO 0.74 0.00 -0.20 0.00 -3.33 0.00 0.00 175.10 172.32 1sn2 s ALA 91 N -3.24 2.24 -0.08 1.54 0.00 -0.53 -4.90 121.76 116.79 1sn2 s ALA 91 Ca 0.09 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.91 1sn2 s ALA 91 Cb -0.01 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1sn2 s ALA 91 CO -0.03 -0.28 -0.09 -1.21 0.00 0.00 0.00 175.76 174.15 1sn2 s GLU 92 N 1.20 2.87 -0.22 0.00 2.02 -1.26 -0.27 118.70 123.03 1sn2 s GLU 92 Ca 0.02 -0.60 0.02 0.00 0.02 0.00 0.00 54.97 54.43 1sn2 s GLU 92 Cb -0.14 -2.58 0.05 0.00 0.10 0.00 0.00 34.13 31.56 1sn2 s GLU 92 CO -0.10 0.55 -0.12 0.08 0.02 0.00 0.00 175.26 175.69 1sn2 s VAL 93 N -0.51 1.93 -0.14 2.63 1.01 0.27 -4.98 120.40 120.61 1sn2 s VAL 93 Ca 0.07 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 60.81 1sn2 s VAL 93 Cb -0.12 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1sn2 s VAL 93 CO 0.02 0.15 -0.19 -0.69 0.00 0.00 0.00 175.10 174.38 1sn2 s VAL 94 N 1.26 2.32 0.06 2.92 1.01 -1.26 -0.66 120.40 126.04 1sn2 s VAL 94 Ca -0.03 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 1sn2 s VAL 94 Cb -0.17 -1.95 0.04 0.00 0.00 0.00 0.00 36.38 34.30 1sn2 s VAL 94 CO -0.08 0.54 0.46 0.72 0.00 0.00 0.00 175.10 176.74 1sn2 s PHE 95 N 0.79 -0.33 -0.02 5.22 -0.12 -0.40 -4.99 117.98 118.12 1sn2 s PHE 95 Ca -0.07 0.28 -0.25 0.00 -0.05 0.00 0.00 56.93 56.84 1sn2 s PHE 95 Cb -0.16 0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 1sn2 s PHE 95 CO -0.01 -0.62 0.77 0.34 -0.05 0.00 0.00 175.22 175.65 1sn2 s ASP 96 N -2.11 7.12 -0.11 1.98 -1.08 -1.26 -0.04 116.67 121.17 1sn2 s ASP 96 Ca -0.04 1.35 -0.01 0.00 -0.52 0.00 0.00 52.55 53.33 1sn2 s ASP 96 Cb -0.00 -2.46 -0.03 0.00 -1.46 0.00 0.00 42.92 38.97 1sn2 s ASP 96 CO -0.04 -0.10 -0.06 0.00 0.52 0.00 0.00 175.17 175.49 1sn2 s ALA 97 N 0.58 2.95 -0.54 3.66 0.00 0.16 -4.95 121.76 123.62 1sn2 s ALA 97 Ca 0.40 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.57 1sn2 s ALA 97 Cb -0.19 -1.36 0.22 0.00 0.00 0.00 0.00 23.12 21.78 1sn2 s ALA 97 CO 0.21 0.40 0.55 0.72 0.00 0.00 0.00 175.76 177.64 1sn2 n HIS 98 N 2.88 1.57 0.25 0.00 8.25 -1.26 -2.07 115.22 124.85 1sn2 n HIS 98 Ca -0.18 -3.86 -0.04 0.00 -0.26 0.00 0.00 57.72 53.38 1sn2 n HIS 98 Cb 0.53 -0.36 0.02 0.00 1.12 0.00 0.00 29.99 31.30 1sn2 n HIS 98 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1sn2 n PRO 99 N 1.62 1.20 -2.04 -0.41 -0.04 -1.26 -4.84 135.00 129.23 1sn2 n PRO 99 Ca 0.25 -0.45 -0.43 0.00 -0.04 0.00 0.00 63.50 62.83 1sn2 n PRO 99 Cb 0.44 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.70 1sn2 n PRO 99 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1sn2 s GLU 100 N -0.50 3.48 2.17 0.54 8.01 -1.26 -4.55 118.70 126.58 1sn2 s GLU 100 Ca 0.09 1.48 0.00 0.00 0.01 0.00 0.00 54.97 56.54 1sn2 s GLU 100 Cb 0.07 -4.14 0.00 0.00 -4.31 0.00 0.00 34.13 25.75 1sn2 s GLU 100 CO 0.01 -1.68 0.00 0.41 0.01 0.00 0.00 175.26 174.01 1sn2 n GLY 101 N 5.21 1.34 0.11 -1.39 0.00 -1.26 -4.10 105.19 105.10 1sn2 n GLY 101 Ca 0.21 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 1sn2 n GLY 101 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sn2 n HIS 102 N 0.00 0.44 -0.63 1.61 8.25 -1.26 -5.00 115.22 118.63 1sn2 n HIS 102 Ca 0.00 0.12 -0.29 0.00 -0.26 0.00 0.00 57.72 57.29 1sn2 n HIS 102 Cb 0.00 -1.07 -0.06 0.00 1.12 0.00 0.00 29.99 29.98 1sn2 n HIS 102 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1sn2 n ARG 103 N -3.11 0.00 -4.12 -0.41 0.63 -1.25 -4.94 116.66 103.46 1sn2 n ARG 103 Ca -0.34 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.31 1sn2 n ARG 103 Cb 1.07 -0.74 -0.07 0.00 0.45 0.00 0.00 32.46 33.16 1sn2 n ARG 103 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1sn2 s HIS 104 N 3.09 3.02 -0.09 -0.14 3.76 -1.26 -4.70 115.29 118.97 1sn2 s HIS 104 Ca 0.60 -0.04 0.04 0.00 -0.15 0.00 0.00 55.06 55.51 1sn2 s HIS 104 Cb -0.73 -1.50 0.00 0.00 1.11 0.00 0.00 32.58 31.46 1sn2 s HIS 104 CO 0.32 0.50 -0.21 0.71 -0.85 0.00 0.00 174.74 175.21 1sn2 s TYR 105 N -1.53 2.33 -0.18 1.40 1.51 0.51 -1.74 117.35 119.65 1sn2 s TYR 105 Ca 0.28 -0.95 -0.00 0.00 -1.01 0.00 0.00 57.07 55.38 1sn2 s TYR 105 Cb -0.11 -1.58 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 1sn2 s TYR 105 CO 0.20 -0.40 -0.15 0.99 -1.11 0.00 0.00 175.55 175.08 1sn2 s THR 106 N 0.43 2.53 -0.44 -0.71 2.01 0.04 0.20 115.64 119.70 1sn2 s THR 106 Ca -0.17 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 60.87 1sn2 s THR 106 Cb -0.17 -2.09 0.04 0.00 0.01 0.00 0.00 72.50 70.28 1sn2 s THR 106 CO 0.07 0.50 0.44 -0.76 -0.69 0.00 0.00 174.62 174.18 1sn2 s LEU 107 N 1.22 5.06 -0.03 4.42 1.43 0.13 -1.03 118.68 129.87 1sn2 s LEU 107 Ca 0.02 -0.87 -0.15 0.00 -1.03 0.00 0.00 54.13 52.11 1sn2 s LEU 107 Cb -0.14 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 1sn2 s LEU 107 CO -0.07 -0.62 0.39 0.00 0.23 0.00 0.00 176.35 176.28 1sn2 s ALA 108 N 2.05 3.67 -0.04 4.21 0.00 -0.31 -1.34 121.76 129.99 1sn2 s ALA 108 Ca 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 1sn2 s ALA 108 Cb -0.19 -2.40 0.03 0.00 0.00 0.00 0.00 23.12 20.56 1sn2 s ALA 108 CO 0.11 0.40 0.07 -1.17 0.00 0.00 0.00 175.76 175.17 1sn2 s LEU 109 N -0.74 0.18 -0.26 0.00 2.96 -0.32 -1.31 118.68 119.18 1sn2 s LEU 109 Ca 0.23 0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 54.19 1sn2 s LEU 109 Cb -0.16 -0.08 0.00 0.00 0.50 0.00 0.00 46.19 46.45 1sn2 s LEU 109 CO 0.12 -0.24 0.03 -0.22 -1.32 0.00 0.00 176.35 174.72 1sn2 s LEU 110 N 2.10 3.47 -0.12 -0.68 2.96 -0.06 -0.24 118.68 126.12 1sn2 s LEU 110 Ca 0.04 -0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 53.34 1sn2 s LEU 110 Cb -0.12 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1sn2 s LEU 110 CO -0.03 -0.12 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.09 1sn2 s LEU 111 N 1.49 3.38 0.12 -0.68 1.43 0.41 -1.35 118.68 123.48 1sn2 s LEU 111 Ca 0.04 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 1sn2 s LEU 111 Cb -0.16 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1sn2 s LEU 111 CO 0.00 0.27 -0.11 -0.44 0.23 0.00 0.00 176.35 176.31 1sn2 s SER 112 N -0.25 1.68 0.39 2.29 0.01 0.52 -0.54 113.70 117.81 1sn2 s SER 112 Ca 0.05 -0.90 0.14 0.00 1.31 0.00 0.00 55.95 56.55 1sn2 s SER 112 Cb -0.13 -0.01 0.98 0.00 0.21 0.00 0.00 66.02 67.07 1sn2 s SER 112 CO 0.02 -0.27 1.83 -0.65 0.41 0.00 0.00 173.24 174.58 1sn2 h PRO 113 N 3.22 0.50 -0.05 12.44 0.11 -1.99 -2.84 132.00 143.38 1sn2 h PRO 113 Ca -0.37 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 1sn2 h PRO 113 Cb 1.19 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1sn2 h PRO 113 CO 0.57 0.33 -0.04 1.19 -0.21 0.00 0.00 178.00 179.84 1sn2 n PHE 114 N -4.57 0.19 -3.58 0.65 3.01 -1.26 -0.73 117.46 111.17 1sn2 n PHE 114 Ca 0.20 -1.04 -0.13 0.00 1.01 0.00 0.00 57.45 57.49 1sn2 n PHE 114 Cb 0.66 -0.20 -0.06 0.00 -0.01 0.00 0.00 39.48 39.87 1sn2 n PHE 114 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sn2 s SER 115 N -2.74 -0.52 0.04 4.37 0.15 -1.07 -4.94 113.70 108.98 1sn2 s SER 115 Ca 0.35 0.71 -0.06 0.00 0.70 0.00 0.00 55.95 57.65 1sn2 s SER 115 Cb 0.30 0.62 -0.01 0.00 -1.71 0.00 0.00 66.02 65.22 1sn2 s SER 115 CO 0.03 -0.38 0.10 -0.72 1.20 0.00 0.00 173.24 173.47 1sn2 s TYR 116 N -0.71 0.20 -0.13 3.44 -0.85 -1.26 -0.35 117.35 117.69 1sn2 s TYR 116 Ca -0.04 -0.49 0.03 0.00 -0.52 0.00 0.00 57.07 56.05 1sn2 s TYR 116 Cb -0.02 -0.14 0.01 0.00 0.38 0.00 0.00 41.96 42.19 1sn2 s TYR 116 CO 0.03 -0.36 -0.22 0.99 -1.52 0.00 0.00 175.55 174.46 1sn2 s THR 117 N -2.58 2.02 -0.19 -3.49 2.01 -0.45 -4.97 115.64 107.99 1sn2 s THR 117 Ca -0.05 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 1sn2 s THR 117 Cb -0.01 -1.78 -0.00 0.00 0.01 0.00 0.00 72.50 70.72 1sn2 s THR 117 CO -0.04 0.54 -0.11 0.28 -0.69 0.00 0.00 174.62 174.61 1sn2 s THR 118 N 0.68 2.92 0.16 -0.82 -1.32 -1.26 -0.88 115.64 115.13 1sn2 s THR 118 Ca -0.11 -0.66 0.05 0.00 -1.21 0.00 0.00 61.69 59.77 1sn2 s THR 118 Cb -0.16 -2.29 -0.05 0.00 -1.51 0.00 0.00 72.50 68.50 1sn2 s THR 118 CO 0.01 0.48 -0.11 -0.89 -2.21 0.00 0.00 174.62 171.90 1sn2 s THR 119 N 1.22 1.30 0.02 5.08 2.01 -0.43 -5.01 115.64 119.82 1sn2 s THR 119 Ca 0.02 -2.10 0.06 0.00 0.31 0.00 0.00 61.69 59.99 1sn2 s THR 119 Cb -0.14 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 1sn2 s THR 119 CO -0.04 -0.70 -0.18 0.00 -0.69 0.00 0.00 174.62 173.01 1sn2 s ALA 120 N -3.25 1.48 -0.23 7.40 0.00 -1.26 -1.16 121.76 124.75 1sn2 s ALA 120 Ca 0.18 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1sn2 s ALA 120 Cb 0.02 -0.32 0.04 0.00 0.00 0.00 0.00 23.12 22.86 1sn2 s ALA 120 CO 0.02 0.34 -0.12 0.08 0.00 0.00 0.00 175.76 176.08 1sn2 s VAL 121 N -0.62 2.37 -0.18 0.00 1.01 -0.20 -4.98 120.40 117.79 1sn2 s VAL 121 Ca 0.06 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.84 1sn2 s VAL 121 Cb -0.08 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1sn2 s VAL 121 CO 0.01 0.24 -0.17 -0.69 0.00 0.00 0.00 175.10 174.48 1sn2 s VAL 122 N 1.24 2.30 0.60 2.92 1.01 -1.26 -0.78 120.40 126.43 1sn2 s VAL 122 Ca -0.01 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 60.97 1sn2 s VAL 122 Cb -0.17 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1sn2 s VAL 122 CO -0.07 0.52 1.04 -0.94 0.00 0.00 0.00 175.10 175.64 1sn2 s SER 123 N 1.26 5.95 0.44 3.32 1.04 -0.71 -4.96 113.70 120.04 1sn2 s SER 123 Ca 0.04 1.65 -0.00 0.00 0.48 0.00 0.00 55.95 58.12 1sn2 s SER 123 Cb -0.14 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1sn2 s SER 123 CO -0.10 -1.05 0.03 -1.54 0.98 0.00 0.00 173.24 171.56 1sn2 n SER 124 N -2.29 0.04 -0.43 7.02 3.41 -1.26 -4.30 113.62 115.81 1sn2 n SER 124 Ca 0.08 -1.03 0.05 0.00 -0.26 0.00 0.00 58.87 57.71 1sn2 n SER 124 Cb 0.53 -0.02 0.04 0.00 -0.26 0.00 0.00 64.21 64.51 1sn2 n SER 124 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21