#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ol3 s THR 2 N 0.00 4.43 -0.07 2.52 -4.23 -1.26 -5.07 115.64 111.96 2ol3 s THR 2 Ca 0.00 -0.67 -0.17 0.00 -1.18 0.00 0.00 61.69 59.67 2ol3 s THR 2 Cb 0.00 -3.07 -0.13 0.00 1.34 0.00 0.00 72.50 70.64 2ol3 s THR 2 CO 0.00 0.24 0.66 -0.07 -0.54 0.00 0.00 174.62 174.91 2ol3 h LEU 3 N 3.74 -0.16 -9.72 4.79 -0.00 -1.96 -3.45 115.31 108.56 2ol3 h LEU 3 Ca -0.48 -0.33 -0.57 0.00 -0.00 0.00 0.00 57.88 56.49 2ol3 h LEU 3 Cb 1.17 0.04 -0.08 0.00 -0.00 0.00 0.00 40.66 41.79 2ol3 h LEU 3 CO 0.62 0.44 -0.58 -0.76 -0.00 0.00 0.00 178.44 178.16 2ol3 s LEU 4 N -8.81 3.70 -0.27 1.67 1.02 -1.26 -0.27 118.68 114.45 2ol3 s LEU 4 Ca -0.11 -0.20 0.01 0.00 0.02 0.00 0.00 54.13 53.86 2ol3 s LEU 4 Cb -0.00 -2.31 0.08 0.00 0.02 0.00 0.00 46.19 43.98 2ol3 s LEU 4 CO 0.39 0.06 -0.00 -0.70 0.02 0.00 0.00 176.35 176.12 2ol3 s GLU 5 N -3.14 1.43 -0.18 1.70 2.12 -0.03 -4.82 118.70 115.78 2ol3 s GLU 5 Ca 0.30 -1.22 -0.09 0.00 0.36 0.00 0.00 54.97 54.32 2ol3 s GLU 5 Cb -0.10 -2.63 -0.05 0.00 0.26 0.00 0.00 34.13 31.62 2ol3 s GLU 5 CO 0.22 -0.75 0.12 -1.14 -0.54 0.00 0.00 175.26 173.18 2ol3 s GLN 6 N 1.31 4.01 -0.07 4.30 0.74 -1.26 -1.28 119.66 127.42 2ol3 s GLN 6 Ca 0.01 -0.22 -0.12 0.00 0.05 0.00 0.00 55.36 55.08 2ol3 s GLN 6 Cb -0.19 -3.35 0.03 0.00 1.10 0.00 0.00 33.01 30.60 2ol3 s GLN 6 CO -0.10 0.39 0.30 0.54 -0.55 0.00 0.00 175.29 175.87 2ol3 s ASN 7 N 0.09 -0.24 0.47 6.67 2.20 -0.79 -4.20 114.94 119.14 2ol3 s ASN 7 Ca 0.09 0.35 -0.20 0.00 -0.94 0.00 0.00 52.86 52.16 2ol3 s ASN 7 Cb -0.11 0.48 -0.09 0.00 -2.00 0.00 0.00 41.25 39.52 2ol3 s ASN 7 CO -0.01 -0.26 1.02 -2.16 -2.94 0.00 0.00 177.10 172.75 2ol3 s PRO 8 N -0.53 3.91 0.21 3.55 0.04 -1.26 -0.60 135.00 140.31 2ol3 s PRO 8 Ca -0.06 1.30 -0.10 0.00 0.04 0.00 0.00 61.00 62.18 2ol3 s PRO 8 Cb -0.04 -2.12 0.17 0.00 0.04 0.00 0.00 34.50 32.55 2ol3 s PRO 8 CO 0.02 -0.33 1.88 -0.09 0.04 0.00 0.00 177.00 178.52 2ol3 h ARG 9 N 1.66 0.98 -4.28 4.56 9.65 -1.82 -3.41 114.38 121.72 2ol3 h ARG 9 Ca -0.49 -0.06 -0.16 0.00 -1.10 0.00 0.00 59.98 58.16 2ol3 h ARG 9 Cb 1.21 -0.22 -0.14 0.00 -1.39 0.00 0.00 29.97 29.43 2ol3 h ARG 9 CO 0.60 0.65 -0.54 1.67 2.80 0.00 0.00 179.97 185.14 2ol3 s TRP 10 N -6.13 0.76 -0.23 2.20 -2.14 -1.26 -1.61 118.94 110.52 2ol3 s TRP 10 Ca -0.13 -1.11 -0.10 0.00 2.66 0.00 0.00 56.10 57.42 2ol3 s TRP 10 Cb 0.15 -0.36 0.09 0.00 -3.10 0.00 0.00 33.47 30.26 2ol3 s TRP 10 CO 0.78 -0.60 0.53 0.50 -2.66 0.00 0.00 176.95 175.50 2ol3 s ARG 11 N -4.04 0.48 -0.24 3.25 6.06 0.95 -4.90 118.95 120.51 2ol3 s ARG 11 Ca 0.24 1.13 -0.13 0.00 -2.50 0.00 0.00 55.73 54.47 2ol3 s ARG 11 Cb 0.06 0.35 -0.04 0.00 0.06 0.00 0.00 34.95 35.37 2ol3 s ARG 11 CO 0.03 -0.20 0.26 -0.51 -2.50 0.00 0.00 175.30 172.38 2ol3 s LEU 12 N 2.21 4.09 -0.04 -0.88 1.43 -1.26 0.38 118.68 124.61 2ol3 s LEU 12 Ca -0.06 0.22 -0.08 0.00 -1.03 0.00 0.00 54.13 53.18 2ol3 s LEU 12 Cb -0.10 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.87 2ol3 s LEU 12 CO -0.16 -0.04 0.20 0.68 0.23 0.00 0.00 176.35 177.26 2ol3 s VAL 13 N 1.43 0.04 0.21 -1.59 -7.23 0.47 -4.93 120.40 108.79 2ol3 s VAL 13 Ca 0.12 -0.31 -0.30 0.00 -1.81 0.00 0.00 61.98 59.68 2ol3 s VAL 13 Cb -0.15 -0.39 -0.09 0.00 0.56 0.00 0.00 36.38 36.32 2ol3 s VAL 13 CO 0.07 -0.17 1.28 -2.16 -0.31 0.00 0.00 175.10 173.82 2ol3 s PRO 14 N -0.61 4.41 -0.10 4.82 0.04 -1.25 -0.48 135.00 141.82 2ol3 s PRO 14 Ca -0.07 2.03 -0.41 0.00 0.04 0.00 0.00 61.00 62.59 2ol3 s PRO 14 Cb -0.04 -3.19 -0.20 0.00 0.04 0.00 0.00 34.50 31.11 2ol3 s PRO 14 CO 0.01 -0.20 1.18 -2.13 0.04 0.00 0.00 177.00 175.90 2ol3 n ARG 15 N 2.40 0.01 0.00 4.56 0.63 -1.25 -1.01 116.66 122.00 2ol3 n ARG 15 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 2ol3 n ARG 15 Cb 0.43 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.83 2ol3 n ARG 15 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ol3 n GLY 16 N 2.02 3.00 3.67 5.14 0.00 -0.88 -5.00 105.19 113.15 2ol3 n GLY 16 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2ol3 n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ol3 s GLN 17 N -0.33 4.21 0.61 1.61 0.74 -0.18 -4.06 119.66 122.26 2ol3 s GLN 17 Ca 0.00 2.14 -0.18 0.00 0.05 0.00 0.00 55.36 57.38 2ol3 s GLN 17 Cb 0.00 -3.81 -0.03 0.00 1.10 0.00 0.00 33.01 30.28 2ol3 s GLN 17 CO 0.00 -0.76 1.16 0.00 -0.55 0.00 0.00 175.29 175.15 2ol3 s ALA 18 N 3.37 2.52 -0.02 1.58 0.00 -1.26 -4.78 121.76 123.16 2ol3 s ALA 18 Ca 0.70 0.84 0.02 0.00 0.00 0.00 0.00 51.96 53.52 2ol3 s ALA 18 Cb -0.34 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.39 2ol3 s ALA 18 CO 0.29 -1.16 -0.05 0.08 0.00 0.00 0.00 175.76 174.91 2ol3 s VAL 19 N -1.85 0.51 -0.26 0.00 1.01 -0.23 -5.01 120.40 114.56 2ol3 s VAL 19 Ca 0.73 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 2ol3 s VAL 19 Cb -0.26 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 2ol3 s VAL 19 CO 0.35 0.18 0.04 0.20 0.00 0.00 0.00 175.10 175.86 2ol3 s ASN 20 N 0.32 4.87 0.17 3.32 0.01 -1.26 -1.16 114.94 121.21 2ol3 s ASN 20 Ca -0.04 -0.45 0.04 0.00 -0.71 0.00 0.00 52.86 51.70 2ol3 s ASN 20 Cb -0.08 -1.85 -0.04 0.00 0.41 0.00 0.00 41.25 39.70 2ol3 s ASN 20 CO -0.00 -0.09 0.23 -0.76 -1.51 0.00 0.00 177.10 174.97 2ol3 s LEU 21 N 1.53 4.10 0.01 0.60 1.43 -0.67 -4.60 118.68 121.08 2ol3 s LEU 21 Ca 0.05 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2ol3 s LEU 21 Cb -0.16 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 2ol3 s LEU 21 CO 0.01 0.04 -0.03 -0.60 0.23 0.00 0.00 176.35 176.01 2ol3 s ARG 22 N -3.28 0.24 -0.02 1.70 3.52 0.23 -1.97 118.95 119.37 2ol3 s ARG 22 Ca 0.33 -0.41 0.02 0.00 -0.13 0.00 0.00 55.73 55.54 2ol3 s ARG 22 Cb -0.10 0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.31 2ol3 s ARG 22 CO 0.26 -0.02 -0.06 0.00 -0.81 0.00 0.00 175.30 174.67 2ol3 s ILE 24 N 0.13 2.00 -0.28 0.00 -1.09 -0.40 -1.72 121.20 119.83 2ol3 s ILE 24 Ca -0.01 -0.93 -0.26 0.00 -2.23 0.00 0.00 60.65 57.22 2ol3 s ILE 24 Cb -0.06 -1.79 0.00 0.00 -1.58 0.00 0.00 42.46 39.04 2ol3 s ILE 24 CO -0.00 0.54 0.90 -0.22 -1.23 0.00 0.00 174.94 174.92 2ol3 s LEU 25 N 0.99 4.05 -0.38 2.97 2.96 -0.00 -0.85 118.68 128.42 2ol3 s LEU 25 Ca -0.03 0.95 0.06 0.00 -0.22 0.00 0.00 54.13 54.89 2ol3 s LEU 25 Cb -0.15 -3.28 0.62 0.00 0.50 0.00 0.00 46.19 43.89 2ol3 s LEU 25 CO -0.06 -0.66 1.76 0.29 -1.32 0.00 0.00 176.35 176.37 2ol3 n LYS 26 N 6.32 2.29 -3.41 1.98 4.76 0.63 -4.85 118.16 125.87 2ol3 n LYS 26 Ca 0.07 -3.07 0.02 0.00 -2.87 0.00 0.00 58.31 52.45 2ol3 n LYS 26 Cb 0.47 -2.06 -0.03 0.00 -1.84 0.00 0.00 35.03 31.57 2ol3 n LYS 26 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2ol3 s ASN 27 N -1.67 -0.88 0.00 4.39 3.84 -1.26 -4.90 114.94 114.46 2ol3 s ASN 27 Ca 0.53 1.01 0.10 0.00 0.21 0.00 0.00 52.86 54.70 2ol3 s ASN 27 Cb 0.45 1.92 0.45 0.00 -0.55 0.00 0.00 41.25 43.52 2ol3 s ASN 27 CO 0.08 -0.17 1.28 -1.54 -2.79 0.00 0.00 177.10 173.96 2ol3 n SER 28 N 5.26 0.00 -0.34 -4.21 3.41 -1.26 -2.90 113.62 113.58 2ol3 n SER 28 Ca -0.08 0.37 0.13 0.00 -0.26 0.00 0.00 58.87 59.03 2ol3 n SER 28 Cb 0.51 -0.42 0.58 0.00 -0.26 0.00 0.00 64.21 64.62 2ol3 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ol3 n GLN 29 N -1.42 1.46 -2.97 4.33 1.13 -1.26 -4.06 117.38 114.59 2ol3 n GLN 29 Ca 0.03 -0.68 -0.19 0.00 -1.94 0.00 0.00 57.00 54.22 2ol3 n GLN 29 Cb 0.10 -1.44 -0.02 0.00 0.11 0.00 0.00 30.24 28.99 2ol3 n GLN 29 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2ol3 n TYR 30 N -0.15 1.59 0.33 1.08 4.01 -1.14 -4.10 117.16 118.77 2ol3 n TYR 30 Ca 0.19 -3.61 0.12 0.00 -0.16 0.00 0.00 57.90 54.43 2ol3 n TYR 30 Cb 0.26 -0.40 0.54 0.00 -0.31 0.00 0.00 39.34 39.43 2ol3 n TYR 30 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2ol3 h PRO 30 N 2.96 0.00 -6.14 -0.72 0.13 -1.70 -3.34 132.00 123.20 2ol3 h PRO 30 Ca 0.09 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.64 2ol3 h PRO 30 Cb 0.89 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.92 2ol3 h PRO 30 CO 0.61 0.00 0.83 -1.58 -0.23 0.00 0.00 178.00 177.63 2ol3 s TRP 31 N -3.41 2.55 0.10 1.56 0.52 -0.87 -4.77 118.94 114.62 2ol3 s TRP 31 Ca 0.02 -0.01 0.05 0.00 0.02 0.00 0.00 56.10 56.18 2ol3 s TRP 31 Cb 0.08 -4.41 -0.04 0.00 -1.15 0.00 0.00 33.47 27.95 2ol3 s TRP 31 CO 0.35 -1.71 0.03 -1.64 0.02 0.00 0.00 176.95 173.99 2ol3 s MET 32 N 4.83 2.63 0.13 4.98 -1.94 -1.25 -0.05 119.30 128.63 2ol3 s MET 32 Ca 0.34 -0.84 -0.11 0.00 -1.71 0.00 0.00 55.69 53.37 2ol3 s MET 32 Cb -0.10 -2.57 0.01 0.00 2.01 0.00 0.00 34.83 34.17 2ol3 s MET 32 CO 0.18 0.53 0.29 -1.12 -0.01 0.00 0.00 175.02 174.89 2ol3 s SER 33 N -2.46 -0.02 -0.08 3.03 0.01 0.51 -1.73 113.70 112.97 2ol3 s SER 33 Ca 0.27 -0.63 0.02 0.00 1.31 0.00 0.00 55.95 56.92 2ol3 s SER 33 Cb -0.11 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.51 2ol3 s SER 33 CO 0.20 -0.83 -0.11 0.26 0.41 0.00 0.00 173.24 173.16 2ol3 s TRP 34 N -3.88 2.81 -0.02 2.43 0.52 -0.37 -0.50 118.94 119.93 2ol3 s TRP 34 Ca 0.08 -0.22 0.04 0.00 0.02 0.00 0.00 56.10 56.02 2ol3 s TRP 34 Cb 0.03 -1.72 -0.01 0.00 -1.15 0.00 0.00 33.47 30.63 2ol3 s TRP 34 CO -0.07 0.13 -0.13 0.71 0.02 0.00 0.00 176.95 177.60 2ol3 s TYR 35 N -0.45 1.25 -0.09 -1.98 1.51 0.61 0.04 117.35 118.24 2ol3 s TYR 35 Ca 0.06 -0.28 -0.04 0.00 -1.01 0.00 0.00 57.07 55.80 2ol3 s TYR 35 Cb -0.12 -0.83 -0.04 0.00 -0.11 0.00 0.00 41.96 40.86 2ol3 s TYR 35 CO 0.02 -0.07 0.07 -1.14 -1.11 0.00 0.00 175.55 173.32 2ol3 s GLN 36 N -0.13 3.18 -0.20 -0.62 0.74 0.69 0.10 119.66 123.42 2ol3 s GLN 36 Ca 0.02 -0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.12 2ol3 s GLN 36 Cb -0.07 -2.97 0.05 0.00 1.10 0.00 0.00 33.01 31.12 2ol3 s GLN 36 CO 0.00 0.73 -0.05 -1.14 -0.55 0.00 0.00 175.29 174.27 2ol3 s GLN 37 N -1.07 1.56 0.90 1.67 0.74 -0.28 -0.33 119.66 122.84 2ol3 s GLN 37 Ca 0.15 -0.78 -0.12 0.00 0.05 0.00 0.00 55.36 54.67 2ol3 s GLN 37 Cb -0.12 -2.35 0.13 0.00 1.10 0.00 0.00 33.01 31.77 2ol3 s GLN 37 CO 0.05 -0.52 1.13 0.16 -0.55 0.00 0.00 175.29 175.56 2ol3 s ASP 38 N 1.50 3.62 0.00 6.67 3.84 -0.94 -1.67 116.67 129.70 2ol3 s ASP 38 Ca -0.03 1.01 0.00 0.00 -0.00 0.00 0.00 52.55 53.53 2ol3 s ASP 38 Cb -0.17 -1.60 0.00 0.00 -1.38 0.00 0.00 42.92 39.76 2ol3 s ASP 38 CO -0.07 -2.49 0.80 0.18 -0.00 0.00 0.00 175.17 173.59 2ol3 n LEU 39 N -3.73 0.00 -1.74 2.11 4.77 -1.26 0.35 117.00 117.50 2ol3 n LEU 39 Ca 0.07 0.32 0.08 0.00 -0.03 0.00 0.00 56.01 56.45 2ol3 n LEU 39 Cb 0.59 -0.32 0.38 0.00 -2.33 0.00 0.00 43.42 41.74 2ol3 n LEU 39 CO 0.57 -0.32 0.85 0.00 -1.33 0.00 0.00 177.39 177.16 2ol3 n GLN 40 N -1.30 4.37 -0.82 3.23 3.00 -1.26 -4.92 117.38 119.68 2ol3 n GLN 40 Ca 0.00 -3.05 0.00 0.00 -0.01 0.00 0.00 57.00 53.94 2ol3 n GLN 40 Cb 0.08 -2.10 0.00 0.00 0.00 0.00 0.00 30.24 28.22 2ol3 n GLN 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2ol3 n LYS 41 N 0.82 -0.34 -2.40 -1.09 4.01 0.16 -4.97 118.16 114.34 2ol3 n LYS 41 Ca 0.27 0.09 -0.43 0.00 -0.51 0.00 0.00 58.31 57.73 2ol3 n LYS 41 Cb 1.06 -3.72 -0.02 0.00 -0.51 0.00 0.00 35.03 31.84 2ol3 n LYS 41 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 2ol3 s GLN 42 N -0.70 3.94 0.29 1.97 2.00 -1.25 -4.81 119.66 121.10 2ol3 s GLN 42 Ca 0.00 1.31 -0.26 0.00 -2.00 0.00 0.00 55.36 54.41 2ol3 s GLN 42 Cb 0.00 -3.88 -0.09 0.00 0.80 0.00 0.00 33.01 29.84 2ol3 s GLN 42 CO 0.00 -1.09 0.92 -0.51 -0.50 0.00 0.00 175.29 174.11 2ol3 s LEU 43 N 4.34 4.42 -0.12 3.68 2.01 -1.26 -2.21 118.68 129.54 2ol3 s LEU 43 Ca 0.57 1.82 -0.11 0.00 0.01 0.00 0.00 54.13 56.42 2ol3 s LEU 43 Cb -0.18 -3.86 0.03 0.00 0.01 0.00 0.00 46.19 42.20 2ol3 s LEU 43 CO 0.23 0.01 0.32 -1.58 1.01 0.00 0.00 176.35 176.33 2ol3 s GLN 44 N -1.81 0.39 0.32 1.70 0.74 0.55 -4.98 119.66 116.57 2ol3 s GLN 44 Ca 0.47 0.42 -0.27 0.00 0.05 0.00 0.00 55.36 56.03 2ol3 s GLN 44 Cb -0.20 0.19 -0.09 0.00 1.10 0.00 0.00 33.01 34.00 2ol3 s GLN 44 CO 0.26 -0.05 1.01 -0.46 -0.55 0.00 0.00 175.29 175.49 2ol3 s TRP 45 N 0.10 3.62 0.03 1.67 -0.00 -1.26 -0.22 118.94 122.88 2ol3 s TRP 45 Ca -0.01 1.76 -0.03 0.00 -0.00 0.00 0.00 56.10 57.82 2ol3 s TRP 45 Cb -0.02 -3.07 -0.01 0.00 -0.00 0.00 0.00 33.47 30.36 2ol3 s TRP 45 CO 0.01 -0.13 -0.07 1.28 -0.00 0.00 0.00 176.95 178.04 2ol3 n LEU 46 N 0.74 1.12 -4.06 5.86 4.77 0.11 -4.86 117.00 120.67 2ol3 n LEU 46 Ca 0.01 0.16 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 2ol3 n LEU 46 Cb 0.48 -0.38 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 2ol3 n LEU 46 CO 0.48 -0.63 -0.26 -0.36 -1.33 0.00 0.00 177.39 175.29 2ol3 s PHE 47 N -2.03 0.57 -0.16 -1.77 0.40 -1.11 -4.96 117.98 108.92 2ol3 s PHE 47 Ca -0.05 -1.02 -0.04 0.00 -0.60 0.00 0.00 56.93 55.21 2ol3 s PHE 47 Cb 0.01 -0.33 0.06 0.00 0.51 0.00 0.00 43.02 43.27 2ol3 s PHE 47 CO 0.08 -0.49 0.12 0.99 0.70 0.00 0.00 175.22 176.62 2ol3 s THR 48 N -3.96 -0.15 -0.16 0.64 2.01 -1.26 -1.24 115.64 111.52 2ol3 s THR 48 Ca 0.14 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.08 2ol3 s THR 48 Cb 0.07 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 72.06 2ol3 s THR 48 CO -0.05 -0.20 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.76 2ol3 s LEU 49 N 2.19 1.90 -0.18 4.42 1.43 -0.71 -5.00 118.68 122.74 2ol3 s LEU 49 Ca 0.03 -0.57 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 2ol3 s LEU 49 Cb -0.15 -1.31 -0.17 0.00 0.03 0.00 0.00 46.19 44.60 2ol3 s LEU 49 CO -0.09 -0.04 -0.06 -1.14 0.23 0.00 0.00 176.35 175.25 2ol3 n ARG 50 N 4.70 0.95 -4.11 1.70 3.00 -1.26 -3.87 116.66 117.77 2ol3 n ARG 50 Ca -0.18 0.06 -0.36 0.00 -0.00 0.00 0.00 57.85 57.36 2ol3 n ARG 50 Cb 0.50 -1.41 -0.08 0.00 0.00 0.00 0.00 32.46 31.47 2ol3 n ARG 50 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2ol3 s SER 51 N -5.47 5.77 -0.21 6.15 0.01 -1.26 -4.91 113.70 113.78 2ol3 s SER 51 Ca -0.18 0.26 -0.33 0.00 1.31 0.00 0.00 55.95 57.01 2ol3 s SER 51 Cb 0.06 -1.80 -0.10 0.00 0.21 0.00 0.00 66.02 64.39 2ol3 s SER 51 CO 0.56 0.35 2.06 -2.65 0.41 0.00 0.00 173.24 173.98 2ol3 n PRO 52 N 2.34 1.77 0.00 12.44 -0.02 -1.25 -1.31 135.00 148.97 2ol3 n PRO 52 Ca -0.19 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 2ol3 n PRO 52 Cb 0.54 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2ol3 n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ol3 n GLY 53 N 5.42 1.80 3.67 -1.23 0.00 0.11 -4.99 105.19 109.96 2ol3 n GLY 53 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 2ol3 n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ol3 s ASP 54 N -1.34 6.78 0.11 1.61 -0.00 -0.42 -4.83 116.67 118.56 2ol3 s ASP 54 Ca 0.00 2.08 0.09 0.00 -0.00 0.00 0.00 52.55 54.72 2ol3 s ASP 54 Cb 0.00 -2.54 -0.04 0.00 -0.00 0.00 0.00 42.92 40.34 2ol3 s ASP 54 CO 0.00 -0.83 -0.23 -0.75 -0.00 0.00 0.00 175.17 173.36 2ol3 s LYS 55 N 3.39 1.26 -0.14 8.23 2.20 -1.26 -1.23 119.74 132.19 2ol3 s LYS 55 Ca 0.66 -1.21 -0.29 0.00 -0.36 0.00 0.00 55.97 54.77 2ol3 s LYS 55 Cb -0.30 -1.59 0.10 0.00 -1.51 0.00 0.00 37.83 34.52 2ol3 s LYS 55 CO 0.25 0.38 0.85 -2.00 -0.36 0.00 0.00 175.35 174.46 2ol3 s GLU 56 N -1.89 0.79 0.15 4.03 2.12 -0.87 -5.02 118.70 118.01 2ol3 s GLU 56 Ca 0.09 0.34 0.09 0.00 0.36 0.00 0.00 54.97 55.85 2ol3 s GLU 56 Cb -0.10 0.38 -0.04 0.00 0.26 0.00 0.00 34.13 34.63 2ol3 s GLU 56 CO 0.05 -0.22 -0.21 0.14 -0.54 0.00 0.00 175.26 174.48 2ol3 s VAL 57 N -0.82 1.93 0.03 3.70 -7.23 -1.26 -2.09 120.40 114.67 2ol3 s VAL 57 Ca -0.05 -1.81 -0.18 0.00 -1.81 0.00 0.00 61.98 58.14 2ol3 s VAL 57 Cb -0.01 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 35.14 2ol3 s VAL 57 CO 0.04 -0.16 0.39 -0.75 -0.31 0.00 0.00 175.10 174.32 2ol3 s LYS 58 N -2.42 0.88 -0.25 4.82 2.20 -1.20 -5.01 119.74 118.75 2ol3 s LYS 58 Ca 0.14 -0.34 -0.01 0.00 -0.36 0.00 0.00 55.97 55.40 2ol3 s LYS 58 Cb -0.08 0.39 0.08 0.00 -1.51 0.00 0.00 37.83 36.71 2ol3 s LYS 58 CO 0.06 -0.29 0.04 -1.12 -0.36 0.00 0.00 175.35 173.68 2ol3 s SER 59 N -1.90 3.65 0.35 1.43 0.01 -1.26 -0.66 113.70 115.32 2ol3 s SER 59 Ca -0.06 -1.28 0.01 0.00 1.31 0.00 0.00 55.95 55.93 2ol3 s SER 59 Cb -0.01 -0.89 -0.03 0.00 0.21 0.00 0.00 66.02 65.30 2ol3 s SER 59 CO -0.01 -0.33 0.55 -0.76 0.41 0.00 0.00 173.24 173.09 2ol3 s LEU 60 N 1.61 4.00 0.14 2.44 1.43 -1.07 -5.01 118.68 122.23 2ol3 s LEU 60 Ca 0.02 0.40 -0.34 0.00 -1.03 0.00 0.00 54.13 53.19 2ol3 s LEU 60 Cb -0.18 -3.27 -0.13 0.00 0.03 0.00 0.00 46.19 42.64 2ol3 s LEU 60 CO -0.14 -0.32 1.62 -2.65 0.23 0.00 0.00 176.35 175.09 2ol3 n PRO 61 N -1.79 2.23 0.00 1.29 -0.02 -1.26 -2.08 135.00 133.37 2ol3 n PRO 61 Ca -0.04 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2ol3 n PRO 61 Cb 0.56 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2ol3 n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ol3 n GLY 62 N 3.56 3.27 3.62 -1.23 0.00 -1.26 -5.00 105.19 108.14 2ol3 n GLY 62 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 2ol3 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ol3 s ALA 63 N -2.91 -1.81 -0.21 4.61 0.00 -0.88 -0.83 121.76 119.73 2ol3 s ALA 63 Ca 0.00 1.92 -0.06 0.00 0.00 0.00 0.00 51.96 53.81 2ol3 s ALA 63 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 2ol3 s ALA 63 CO 0.00 -0.33 0.04 -0.51 0.00 0.00 0.00 175.76 174.96 2ol3 s ASP 64 N 0.14 5.17 0.42 0.00 -0.00 -0.37 -2.59 116.67 119.44 2ol3 s ASP 64 Ca -0.01 -0.11 0.07 0.00 -0.00 0.00 0.00 52.55 52.50 2ol3 s ASP 64 Cb -0.04 -1.90 -0.03 0.00 -0.00 0.00 0.00 42.92 40.95 2ol3 s ASP 64 CO 0.01 0.07 0.30 -0.31 -0.00 0.00 0.00 175.17 175.25 2ol3 s TYR 65 N 0.98 2.59 -0.29 4.23 1.51 0.16 -1.38 117.35 125.16 2ol3 s TYR 65 Ca 0.03 -0.55 0.02 0.00 -1.01 0.00 0.00 57.07 55.55 2ol3 s TYR 65 Cb -0.14 -2.07 0.20 0.00 -0.11 0.00 0.00 41.96 39.83 2ol3 s TYR 65 CO 0.02 -0.03 0.69 -1.17 -1.11 0.00 0.00 175.55 173.96 2ol3 s LEU 66 N -4.05 -1.36 -0.01 -1.29 0.20 -1.10 -3.26 118.68 107.80 2ol3 s LEU 66 Ca 0.44 0.17 0.01 0.00 0.69 0.00 0.00 54.13 55.44 2ol3 s LEU 66 Cb -0.00 1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 47.59 2ol3 s LEU 66 CO 0.25 -0.25 0.00 0.00 -0.29 0.00 0.00 176.35 176.07 2ol3 s ALA 67 N 2.86 3.29 -0.01 5.97 0.00 -0.89 -0.95 121.76 132.03 2ol3 s ALA 67 Ca 0.14 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.17 2ol3 s ALA 67 Cb -0.08 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.67 2ol3 s ALA 67 CO -0.25 0.64 0.01 0.99 0.00 0.00 0.00 175.76 177.15 2ol3 s THR 68 N -1.06 -0.01 -1.02 0.00 2.01 -1.06 -2.05 115.64 112.44 2ol3 s THR 68 Ca 0.19 0.05 -0.15 0.00 0.31 0.00 0.00 61.69 62.09 2ol3 s THR 68 Cb -0.11 -0.03 0.17 0.00 0.01 0.00 0.00 72.50 72.53 2ol3 s THR 68 CO 0.09 0.02 1.17 -0.60 -0.69 0.00 0.00 174.62 174.61 2ol3 s ARG 69 N 0.27 3.82 0.08 4.92 6.06 -0.36 -1.08 118.95 132.65 2ol3 s ARG 69 Ca -0.02 -2.28 -0.30 0.00 -2.50 0.00 0.00 55.73 50.63 2ol3 s ARG 69 Cb -0.03 -4.85 -0.17 0.00 0.06 0.00 0.00 34.95 29.95 2ol3 s ARG 69 CO -0.01 -1.64 1.66 0.28 -2.50 0.00 0.00 175.30 173.09 2ol3 h VAL 70 N 5.08 0.51 -3.06 7.11 2.07 -1.57 0.31 116.25 126.70 2ol3 h VAL 70 Ca 0.20 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 67.18 2ol3 h VAL 70 Cb 0.96 0.51 -0.13 0.00 -1.52 0.00 0.00 31.29 31.12 2ol3 h VAL 70 CO 1.09 0.00 -0.51 0.42 0.02 0.00 0.00 177.57 178.59 2ol3 s THR 71 N -6.09 0.46 0.09 2.57 -4.23 -0.99 -4.32 115.64 103.13 2ol3 s THR 71 Ca -0.16 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.65 2ol3 s THR 71 Cb 0.04 -2.36 0.30 0.00 1.34 0.00 0.00 72.50 71.83 2ol3 s THR 71 CO 0.63 0.00 1.92 0.44 -0.54 0.00 0.00 174.62 177.07 2ol3 h ASP 72 N 1.85 0.00 0.00 3.99 5.19 -1.94 -2.83 116.42 122.67 2ol3 h ASP 72 Ca -0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 2ol3 h ASP 72 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 2ol3 h ASP 72 CO 0.52 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.99 2ol3 n THR 73 N -2.57 0.00 -3.96 0.35 -2.24 -1.26 -4.92 114.28 99.67 2ol3 n THR 73 Ca -0.02 -0.44 -0.28 0.00 -2.27 0.00 0.00 64.05 61.04 2ol3 n THR 73 Cb 0.07 1.09 -0.17 0.00 -2.10 0.00 0.00 70.33 69.22 2ol3 n THR 73 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2ol3 s GLU 74 N -0.26 1.82 -0.07 -0.78 2.12 -1.07 -0.82 118.70 119.65 2ol3 s GLU 74 Ca 0.00 -0.37 0.05 0.00 0.36 0.00 0.00 54.97 55.00 2ol3 s GLU 74 Cb 0.00 -1.78 -0.02 0.00 0.26 0.00 0.00 34.13 32.59 2ol3 s GLU 74 CO 0.00 -0.25 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.10 2ol3 s LEU 75 N 1.61 2.35 0.41 2.70 2.96 -0.70 -1.48 118.68 126.53 2ol3 s LEU 75 Ca 0.05 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.62 2ol3 s LEU 75 Cb -0.13 -1.46 -0.07 0.00 0.50 0.00 0.00 46.19 45.03 2ol3 s LEU 75 CO -0.09 0.26 0.02 -0.13 -1.32 0.00 0.00 176.35 175.09 2ol3 s ARG 76 N -0.25 1.95 -0.11 1.98 0.52 -0.24 -0.49 118.95 122.30 2ol3 s ARG 76 Ca -0.00 -2.12 -0.21 0.00 -0.52 0.00 0.00 55.73 52.88 2ol3 s ARG 76 Cb -0.13 -1.54 0.05 0.00 0.52 0.00 0.00 34.95 33.85 2ol3 s ARG 76 CO 0.03 -0.10 0.52 -1.17 0.02 0.00 0.00 175.30 174.60 2ol3 s LEU 77 N -3.70 -0.01 -0.27 2.53 2.96 -0.83 -2.56 118.68 116.80 2ol3 s LEU 77 Ca 0.32 0.74 -0.00 0.00 -0.22 0.00 0.00 54.13 54.97 2ol3 s LEU 77 Cb 0.09 1.90 0.08 0.00 0.50 0.00 0.00 46.19 48.76 2ol3 s LEU 77 CO 0.16 -0.37 0.04 -1.10 -1.32 0.00 0.00 176.35 173.76 2ol3 s GLN 78 N -0.52 1.06 -0.17 1.98 -0.21 -0.13 -1.68 119.66 120.00 2ol3 s GLN 78 Ca -0.06 -1.02 -0.25 0.00 0.02 0.00 0.00 55.36 54.05 2ol3 s GLN 78 Cb -0.03 -2.33 -0.02 0.00 1.00 0.00 0.00 33.01 31.63 2ol3 s GLN 78 CO 0.04 -0.80 0.81 0.08 -2.12 0.00 0.00 175.29 173.30 2ol3 s VAL 79 N 1.51 4.90 0.10 1.09 1.01 -0.31 -2.71 120.40 126.00 2ol3 s VAL 79 Ca 0.03 1.58 0.04 0.00 0.00 0.00 0.00 61.98 63.64 2ol3 s VAL 79 Cb -0.18 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2ol3 s VAL 79 CO -0.14 0.04 -0.11 0.00 0.00 0.00 0.00 175.10 174.88 2ol3 s ALA 80 N 2.08 1.19 -1.27 5.51 0.00 -0.48 -1.07 121.76 127.74 2ol3 s ALA 80 Ca 0.37 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 2ol3 s ALA 80 Cb -0.16 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 22.97 2ol3 s ALA 80 CO 0.12 0.02 0.28 0.09 0.00 0.00 0.00 175.76 176.27 2ol3 n ASN 81 N 0.67 -4.34 -4.68 0.00 3.02 -1.26 -1.24 115.26 107.44 2ol3 n ASN 81 Ca -0.17 -0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 53.86 2ol3 n ASN 81 Cb 0.57 -3.61 -0.03 0.00 -0.61 0.00 0.00 39.78 36.10 2ol3 n ASN 81 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2ol3 s MET 82 N -5.49 4.17 -0.13 3.52 1.75 -1.26 -4.47 119.30 117.41 2ol3 s MET 82 Ca 0.19 2.40 0.14 0.00 -1.25 0.00 0.00 55.69 57.16 2ol3 s MET 82 Cb -0.10 -3.79 -0.20 0.00 2.84 0.00 0.00 34.83 33.58 2ol3 s MET 82 CO 0.24 -0.82 0.10 -1.13 -0.65 0.00 0.00 175.02 172.76 2ol3 n SER 83 N 6.33 1.32 -4.27 1.11 3.41 -0.01 -2.07 113.62 119.44 2ol3 n SER 83 Ca 0.17 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.61 2ol3 n SER 83 Cb 0.41 1.02 -0.11 0.00 -0.26 0.00 0.00 64.21 65.27 2ol3 n SER 83 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2ol3 s GLN 84 N -2.49 1.10 0.94 4.33 1.11 -1.26 -4.98 119.66 118.42 2ol3 s GLN 84 Ca -0.07 -1.38 -0.10 0.00 0.01 0.00 0.00 55.36 53.82 2ol3 s GLN 84 Cb 0.05 -0.88 0.16 0.00 -1.01 0.00 0.00 33.01 31.34 2ol3 s GLN 84 CO 0.62 0.15 1.11 0.41 0.01 0.00 0.00 175.29 177.59 2ol3 n GLY 85 N 0.13 -0.57 3.60 3.09 0.00 -1.26 -4.85 105.19 105.33 2ol3 n GLY 85 Ca -0.12 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.08 2ol3 n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ol3 s ARG 86 N -4.59 0.33 -0.06 1.61 1.70 -0.99 -4.17 118.95 112.79 2ol3 s ARG 86 Ca 0.67 0.02 0.05 0.00 -0.47 0.00 0.00 55.73 56.01 2ol3 s ARG 86 Cb -0.23 0.15 -0.01 0.00 -0.57 0.00 0.00 34.95 34.29 2ol3 s ARG 86 CO 0.59 -0.11 -0.23 0.95 -1.08 0.00 0.00 175.30 175.41 2ol3 s THR 87 N -1.41 1.93 -0.18 4.99 -4.23 -0.67 -1.35 115.64 114.72 2ol3 s THR 87 Ca 0.05 -0.99 -0.10 0.00 -1.18 0.00 0.00 61.69 59.47 2ol3 s THR 87 Cb -0.01 -1.65 -0.05 0.00 1.34 0.00 0.00 72.50 72.14 2ol3 s THR 87 CO -0.04 0.54 0.16 -0.76 -0.54 0.00 0.00 174.62 173.98 2ol3 s LEU 90 N -0.06 4.25 -0.12 4.79 2.01 -1.08 -1.12 118.68 127.35 2ol3 s LEU 90 Ca -0.06 0.32 -0.02 0.00 0.01 0.00 0.00 54.13 54.38 2ol3 s LEU 90 Cb -0.14 -2.14 -0.03 0.00 0.01 0.00 0.00 46.19 43.90 2ol3 s LEU 90 CO 0.04 0.20 -0.06 -0.31 1.01 0.00 0.00 176.35 177.24 2ol3 s TYR 91 N 0.15 2.97 -0.14 0.29 1.51 0.28 -0.89 117.35 121.52 2ol3 s TYR 91 Ca 0.11 -0.21 -0.10 0.00 -1.01 0.00 0.00 57.07 55.85 2ol3 s TYR 91 Cb -0.12 -1.85 -0.05 0.00 -0.11 0.00 0.00 41.96 39.84 2ol3 s TYR 91 CO -0.00 0.09 0.20 0.00 -1.11 0.00 0.00 175.55 174.74 2ol3 s THR 93 N -0.24 1.36 0.09 0.00 -4.23 0.35 -0.76 115.64 112.21 2ol3 s THR 93 Ca 0.14 -1.18 0.08 0.00 -1.18 0.00 0.00 61.69 59.56 2ol3 s THR 93 Cb -0.12 -1.23 -0.03 0.00 1.34 0.00 0.00 72.50 72.46 2ol3 s THR 93 CO 0.03 0.03 -0.21 0.00 -0.54 0.00 0.00 174.62 173.93 2ol3 s SER 95 N -1.81 -0.06 0.25 0.00 0.15 0.93 -1.28 113.70 111.88 2ol3 s SER 95 Ca 0.06 -0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.62 2ol3 s SER 95 Cb -0.10 0.27 0.33 0.00 -1.71 0.00 0.00 66.02 64.81 2ol3 s SER 95 CO 0.04 -0.33 1.87 0.00 1.20 0.00 0.00 173.24 176.02 2ol3 h ALA 96 N 4.47 1.23 -3.80 5.45 0.00 -1.74 -2.30 119.26 122.58 2ol3 h ALA 96 Ca -0.30 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.36 2ol3 h ALA 96 Cb 1.19 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2ol3 h ALA 96 CO 0.40 0.37 -0.12 -0.40 0.00 0.00 0.00 179.25 179.49 2ol3 n ASP 97 N -4.56 -1.14 -0.34 0.00 5.68 -1.26 -4.46 116.55 110.47 2ol3 n ASP 97 Ca 0.13 -2.58 0.07 0.00 -0.50 0.00 0.00 54.79 51.90 2ol3 n ASP 97 Cb 0.15 2.12 0.23 0.00 -1.14 0.00 0.00 41.12 42.48 2ol3 n ASP 97 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2ol3 h ARG 98 N 0.00 0.88 -0.49 0.11 2.43 -1.99 -1.74 114.38 113.57 2ol3 h ARG 98 Ca -0.23 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2ol3 h ARG 98 Cb 0.99 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 2ol3 h ARG 98 CO 0.31 0.58 0.31 0.28 -1.51 0.00 0.00 179.97 179.94 2ol3 h VAL 99 N 0.90 1.14 0.00 0.20 2.07 -1.99 -3.48 116.25 115.09 2ol3 h VAL 99 Ca 0.49 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.71 2ol3 h VAL 99 Cb 0.52 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2ol3 h VAL 99 CO -0.28 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.06 2ol3 n GLY 100 N -1.16 1.20 3.41 2.17 0.00 -0.66 -4.95 105.19 105.21 2ol3 n GLY 100 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2ol3 n GLY 100 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ol3 n ASN 103 N 2.21 -2.28 -2.71 1.61 4.13 -1.26 -4.57 115.26 112.39 2ol3 n ASN 103 Ca 0.00 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.22 2ol3 n ASN 103 Cb 0.00 -2.65 0.09 0.00 -1.54 0.00 0.00 39.78 35.69 2ol3 n ASN 103 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2ol3 n THR 105 N -1.74 0.42 -3.20 3.41 -2.24 -1.26 -5.12 114.28 104.55 2ol3 n THR 105 Ca 0.00 -1.87 -0.39 0.00 -2.27 0.00 0.00 64.05 59.52 2ol3 n THR 105 Cb 0.19 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.37 2ol3 n THR 105 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2ol3 s LEU 106 N -3.62 4.31 -0.12 3.22 0.05 -1.26 -4.23 118.68 117.03 2ol3 s LEU 106 Ca 0.19 0.99 -0.04 0.00 0.05 0.00 0.00 54.13 55.33 2ol3 s LEU 106 Cb 0.41 -2.86 -0.03 0.00 -2.05 0.00 0.00 46.19 41.65 2ol3 s LEU 106 CO -0.07 -0.03 0.02 -0.31 -0.55 0.00 0.00 176.35 175.41 2ol3 s TYR 107 N 0.59 3.19 0.05 3.48 1.51 -0.40 -4.96 117.35 120.81 2ol3 s TYR 107 Ca 0.31 0.09 -0.17 0.00 -1.01 0.00 0.00 57.07 56.29 2ol3 s TYR 107 Cb -0.16 -1.90 -0.06 0.00 -0.11 0.00 0.00 41.96 39.72 2ol3 s TYR 107 CO 0.14 0.32 0.51 -0.06 -1.11 0.00 0.00 175.55 175.34 2ol3 s PHE 108 N -0.35 3.77 0.00 2.71 0.08 -1.26 -2.11 117.98 120.82 2ol3 s PHE 108 Ca 0.07 1.16 0.00 0.00 0.12 0.00 0.00 56.93 58.29 2ol3 s PHE 108 Cb -0.12 -2.41 0.00 0.00 -0.57 0.00 0.00 43.02 39.92 2ol3 s PHE 108 CO 0.02 0.61 0.00 0.41 -0.10 0.00 0.00 175.22 176.16 2ol3 n GLY 109 N 1.72 -1.47 0.17 4.36 0.00 0.06 -4.98 105.19 105.05 2ol3 n GLY 109 Ca -0.12 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.44 2ol3 n GLY 109 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ol3 h GLU 110 N 0.00 0.00 0.00 1.61 5.08 -1.87 -3.46 114.58 115.94 2ol3 h GLU 110 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ol3 h GLU 110 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ol3 h GLU 110 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2ol3 n GLY 111 N 1.18 0.61 2.55 -3.84 0.00 -1.26 -4.91 105.19 99.51 2ol3 n GLY 111 Ca 0.04 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.86 2ol3 n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ol3 s SER 112 N -0.89 2.76 -0.21 1.61 0.01 -0.07 -4.61 113.70 112.30 2ol3 s SER 112 Ca 0.00 -2.84 -0.28 0.00 1.31 0.00 0.00 55.95 54.14 2ol3 s SER 112 Cb 0.00 -0.71 -0.04 0.00 0.21 0.00 0.00 66.02 65.47 2ol3 s SER 112 CO 0.00 -0.22 2.02 -0.60 0.41 0.00 0.00 173.24 174.85 2ol3 s ARG 113 N 0.20 3.38 -0.24 12.44 6.06 -0.63 -2.64 118.95 137.51 2ol3 s ARG 113 Ca 0.25 1.93 -0.08 0.00 -2.50 0.00 0.00 55.73 55.32 2ol3 s ARG 113 Cb -0.11 -4.27 -0.03 0.00 0.06 0.00 0.00 34.95 30.60 2ol3 s ARG 113 CO -0.09 -1.81 0.08 -0.51 -2.50 0.00 0.00 175.30 170.47 2ol3 s LEU 114 N 7.13 3.54 -0.12 -0.88 1.43 -0.46 -0.04 118.68 129.29 2ol3 s LEU 114 Ca 0.91 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.85 2ol3 s LEU 114 Cb -0.31 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 2ol3 s LEU 114 CO 0.35 -0.01 -0.10 -0.63 0.23 0.00 0.00 176.35 176.19 2ol3 s ILE 115 N 1.47 3.37 -0.26 -0.59 1.01 0.16 -2.35 121.20 124.02 2ol3 s ILE 115 Ca 0.06 -0.56 -0.24 0.00 0.00 0.00 0.00 60.65 59.91 2ol3 s ILE 115 Cb -0.15 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.89 2ol3 s ILE 115 CO 0.04 0.53 0.81 -0.69 0.00 0.00 0.00 174.94 175.63 2ol3 s VAL 116 N 0.09 4.84 -1.66 2.92 1.01 -1.26 -0.40 120.40 125.94 2ol3 s VAL 116 Ca -0.04 1.46 0.13 0.00 0.00 0.00 0.00 61.98 63.54 2ol3 s VAL 116 Cb -0.14 -4.11 0.11 0.00 0.00 0.00 0.00 36.38 32.23 2ol3 s VAL 116 CO 0.04 -0.10 0.92 0.55 0.00 0.00 0.00 175.10 176.51