#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2da0 s SER 2 N 0.00 5.46 -0.13 1.61 0.01 -1.26 -5.02 113.70 114.37 2da0 s SER 2 Ca 0.00 -0.42 -0.40 0.00 1.31 0.00 0.00 55.95 56.43 2da0 s SER 2 Cb 0.00 -1.03 -0.19 0.00 0.21 0.00 0.00 66.02 65.01 2da0 s SER 2 CO 0.00 -0.39 1.18 -1.20 0.41 0.00 0.00 173.24 173.24 2da0 n SER 3 N -1.45 0.32 0.00 2.44 7.64 -1.26 -4.59 113.62 116.72 2da0 n SER 3 Ca -0.01 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.00 2da0 n SER 3 Cb 0.59 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2da0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2da0 n GLY 4 N 2.12 0.77 3.77 0.23 0.00 -1.26 -5.11 105.19 105.71 2da0 n GLY 4 Ca 0.22 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2da0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2da0 s SER 5 N 0.00 6.37 0.29 1.61 0.01 -1.26 -5.02 113.70 115.70 2da0 s SER 5 Ca 0.00 2.80 -0.12 0.00 1.31 0.00 0.00 55.95 59.94 2da0 s SER 5 Cb 0.00 -2.65 0.01 0.00 0.21 0.00 0.00 66.02 63.59 2da0 s SER 5 CO 0.00 -0.82 0.55 -0.44 0.41 0.00 0.00 173.24 172.94 2da0 s SER 6 N -0.49 0.09 -0.37 2.44 0.01 -1.26 -5.10 113.70 109.02 2da0 s SER 6 Ca 0.54 -1.02 0.13 0.00 1.31 0.00 0.00 55.95 56.91 2da0 s SER 6 Cb -0.41 0.66 0.38 0.00 0.21 0.00 0.00 66.02 66.86 2da0 s SER 6 CO 0.55 -1.28 0.89 0.61 0.41 0.00 0.00 173.24 174.42 2da0 n GLY 7 N -0.45 2.42 0.35 3.44 0.00 -1.26 -4.94 105.19 104.75 2da0 n GLY 7 Ca -0.02 -1.23 0.04 0.00 0.00 0.00 0.00 46.02 44.81 2da0 n GLY 7 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2da0 h TYR 8 N 2.92 0.82 0.00 1.61 -1.99 -1.98 -3.48 116.97 114.88 2da0 h TYR 8 Ca -0.02 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2da0 h TYR 8 Cb 1.08 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 39.53 2da0 h TYR 8 CO 0.43 0.46 0.00 0.41 -0.00 0.00 0.00 178.16 179.46 2da0 n GLY 9 N -1.44 3.62 0.01 3.88 0.00 -1.26 -4.95 105.19 105.04 2da0 n GLY 9 Ca 0.10 -1.74 0.10 0.00 0.00 0.00 0.00 46.02 44.48 2da0 n GLY 9 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2da0 n SER 10 N 0.00 0.61 -4.31 1.61 2.88 -1.26 -4.20 113.62 108.95 2da0 n SER 10 Ca 0.00 -0.21 -0.33 0.00 -1.33 0.00 0.00 58.87 57.00 2da0 n SER 10 Cb 0.00 1.70 -0.15 0.00 -0.75 0.00 0.00 64.21 65.01 2da0 n SER 10 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2da0 s GLU 11 N -3.23 3.30 -0.13 -1.46 2.02 -1.26 -4.55 118.70 113.38 2da0 s GLU 11 Ca -0.04 -0.71 -0.27 0.00 0.02 0.00 0.00 54.97 53.97 2da0 s GLU 11 Cb 0.13 -2.69 0.07 0.00 0.10 0.00 0.00 34.13 31.74 2da0 s GLU 11 CO 0.81 0.05 0.66 0.21 0.02 0.00 0.00 175.26 177.00 2da0 s LYS 12 N 0.75 0.92 0.04 1.61 2.20 -1.22 -5.06 119.74 118.99 2da0 s LYS 12 Ca -0.05 0.52 0.03 0.00 -0.36 0.00 0.00 55.97 56.10 2da0 s LYS 12 Cb -0.15 0.44 -0.02 0.00 -1.51 0.00 0.00 37.83 36.58 2da0 s LYS 12 CO 0.01 -0.22 -0.09 0.15 -0.36 0.00 0.00 175.35 174.84 2da0 s LYS 13 N -0.56 0.59 0.00 4.03 3.01 -1.26 -2.06 119.74 123.49 2da0 s LYS 13 Ca -0.07 -0.73 0.00 0.00 -1.01 0.00 0.00 55.97 54.17 2da0 s LYS 13 Cb -0.02 -0.43 0.00 0.00 -1.01 0.00 0.00 37.83 36.36 2da0 s LYS 13 CO 0.06 0.09 0.00 0.41 0.51 0.00 0.00 175.35 176.42 2da0 n GLY 14 N 1.62 -0.72 3.05 -3.33 0.00 -0.79 -5.02 105.19 100.01 2da0 n GLY 14 Ca -0.21 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 2da0 n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2da0 s TYR 15 N -1.82 0.53 -0.01 1.61 1.51 -1.26 -0.27 117.35 117.64 2da0 s TYR 15 Ca 0.00 -0.68 -0.10 0.00 -1.01 0.00 0.00 57.07 55.28 2da0 s TYR 15 Cb 0.00 -0.34 0.01 0.00 -0.11 0.00 0.00 41.96 41.52 2da0 s TYR 15 CO 0.00 -0.19 0.20 -0.51 -1.11 0.00 0.00 175.55 173.95 2da0 s LEU 16 N -2.01 1.29 -0.02 -1.29 1.43 0.59 -4.83 118.68 113.85 2da0 s LEU 16 Ca -0.06 -0.05 -0.27 0.00 -1.03 0.00 0.00 54.13 52.72 2da0 s LEU 16 Cb -0.04 0.87 -0.04 0.00 0.03 0.00 0.00 46.19 47.01 2da0 s LEU 16 CO -0.03 -0.37 0.87 -0.76 0.23 0.00 0.00 176.35 176.29 2da0 s LEU 17 N -1.23 4.36 -0.03 1.79 1.43 -0.80 -0.21 118.68 123.99 2da0 s LEU 17 Ca -0.13 1.48 0.06 0.00 -1.03 0.00 0.00 54.13 54.51 2da0 s LEU 17 Cb -0.06 -3.37 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 2da0 s LEU 17 CO 0.02 -0.18 -0.21 -0.54 0.23 0.00 0.00 176.35 175.67 2da0 s LYS 18 N 0.82 2.27 -0.27 1.70 1.02 0.31 -0.74 119.74 124.85 2da0 s LYS 18 Ca 0.46 -0.83 -0.26 0.00 0.02 0.00 0.00 55.97 55.35 2da0 s LYS 18 Cb -0.20 -2.18 0.01 0.00 -0.52 0.00 0.00 37.83 34.93 2da0 s LYS 18 CO 0.24 0.59 0.93 0.21 -0.92 0.00 0.00 175.35 176.40 2da0 s LYS 19 N -0.68 4.12 -0.49 1.68 2.20 -1.24 -0.79 119.74 124.54 2da0 s LYS 19 Ca 0.11 1.00 -0.28 0.00 -0.36 0.00 0.00 55.97 56.43 2da0 s LYS 19 Cb -0.10 -3.69 0.01 0.00 -1.51 0.00 0.00 37.83 32.54 2da0 s LYS 19 CO -0.00 -0.68 1.49 0.45 -0.36 0.00 0.00 175.35 176.25 2da0 s SER 20 N 1.45 6.10 1.00 1.43 0.15 0.04 -4.93 113.70 118.94 2da0 s SER 20 Ca 0.39 0.58 -0.17 0.00 0.70 0.00 0.00 55.95 57.45 2da0 s SER 20 Cb -0.14 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.58 2da0 s SER 20 CO 0.10 -1.67 -0.33 -0.67 1.20 0.00 0.00 173.24 171.87 2da0 n ASP 21 N 9.66 -3.67 0.00 5.45 -0.08 -1.26 -3.38 116.55 123.28 2da0 n ASP 21 Ca 0.16 0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 2da0 n ASP 21 Cb 0.49 -0.93 0.00 0.00 2.34 0.00 0.00 41.12 43.02 2da0 n ASP 21 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2da0 n GLY 22 N 2.53 0.31 0.67 0.27 0.00 -1.26 -4.68 105.19 103.04 2da0 n GLY 22 Ca 0.02 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2da0 n GLY 22 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2da0 n ILE 23 N 0.00 0.00 -0.24 -0.61 3.06 -1.26 -4.78 119.36 115.52 2da0 n ILE 23 Ca 0.00 0.00 -0.06 0.00 -2.50 0.00 0.00 62.75 60.19 2da0 n ILE 23 Cb 0.00 -0.98 0.04 0.00 0.54 0.00 0.00 39.64 39.25 2da0 n ILE 23 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 2da0 h ARG 24 N 0.00 0.97 -5.79 9.51 3.08 -1.88 -3.47 114.38 116.81 2da0 h ARG 24 Ca 0.00 -0.15 -0.38 0.00 0.07 0.00 0.00 59.98 59.53 2da0 h ARG 24 Cb 0.86 -0.17 0.15 0.00 0.08 0.00 0.00 29.97 30.89 2da0 h ARG 24 CO 0.00 0.77 -0.71 1.63 -1.07 0.00 0.00 179.97 180.59 2da0 n LYS 25 N -4.46 -7.49 -1.04 0.04 5.02 -1.22 -4.97 118.16 104.04 2da0 n LYS 25 Ca 0.05 0.83 -0.29 0.00 -2.02 0.00 0.00 58.31 56.88 2da0 n LYS 25 Cb 0.13 -5.87 0.18 0.00 -0.02 0.00 0.00 35.03 29.45 2da0 n LYS 25 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2da0 s VAL 26 N -3.34 2.26 -0.33 -0.18 -7.23 -1.26 -4.58 120.40 105.76 2da0 s VAL 26 Ca 0.38 0.08 -0.03 0.00 -1.81 0.00 0.00 61.98 60.61 2da0 s VAL 26 Cb -0.17 -2.47 0.05 0.00 0.56 0.00 0.00 36.38 34.35 2da0 s VAL 26 CO 0.73 -0.11 0.06 0.26 -0.31 0.00 0.00 175.10 175.73 2da0 s TRP 27 N -2.84 3.30 -0.17 2.82 0.52 -1.26 -0.78 118.94 120.53 2da0 s TRP 27 Ca 0.65 -1.79 -0.03 0.00 0.02 0.00 0.00 56.10 54.95 2da0 s TRP 27 Cb -0.20 -2.30 -0.02 0.00 -1.15 0.00 0.00 33.47 29.80 2da0 s TRP 27 CO 0.59 -0.80 -0.05 -0.65 0.02 0.00 0.00 176.95 176.05 2da0 s GLN 28 N 1.29 3.54 0.40 4.98 -0.21 0.03 -4.84 119.66 124.85 2da0 s GLN 28 Ca -0.03 -0.58 -0.25 0.00 0.02 0.00 0.00 55.36 54.52 2da0 s GLN 28 Cb -0.20 -2.90 -0.08 0.00 1.00 0.00 0.00 33.01 30.83 2da0 s GLN 28 CO -0.00 0.11 1.19 -0.98 -2.12 0.00 0.00 175.29 173.49 2da0 s ARG 29 N 0.68 4.03 -0.02 2.91 3.03 -1.26 -0.53 118.95 127.79 2da0 s ARG 29 Ca -0.03 1.88 -0.11 0.00 2.03 0.00 0.00 55.73 59.51 2da0 s ARG 29 Cb -0.15 -2.68 0.01 0.00 -1.03 0.00 0.00 34.95 31.11 2da0 s ARG 29 CO 0.02 -0.35 0.23 0.50 -1.13 0.00 0.00 175.30 174.57 2da0 s ARG 30 N -2.30 0.53 0.17 3.89 6.06 0.70 -4.89 118.95 123.11 2da0 s ARG 30 Ca 0.57 -0.20 -0.31 0.00 -2.50 0.00 0.00 55.73 53.30 2da0 s ARG 30 Cb -0.32 0.23 -0.09 0.00 0.06 0.00 0.00 34.95 34.84 2da0 s ARG 30 CO 0.40 -0.13 1.38 0.21 -2.50 0.00 0.00 175.30 174.66 2da0 s LYS 31 N -1.12 4.33 0.22 5.12 2.20 -1.26 -0.30 119.74 128.92 2da0 s LYS 31 Ca -0.12 2.13 0.10 0.00 -0.36 0.00 0.00 55.97 57.72 2da0 s LYS 31 Cb -0.06 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 2da0 s LYS 31 CO 0.02 -0.38 -0.19 0.00 -0.36 0.00 0.00 175.35 174.44 2da0 s SER 33 N -3.09 -0.79 -0.16 0.00 1.04 -1.11 -1.89 113.70 107.69 2da0 s SER 33 Ca 0.23 1.34 0.01 0.00 0.48 0.00 0.00 55.95 58.00 2da0 s SER 33 Cb -0.05 1.24 0.03 0.00 0.10 0.00 0.00 66.02 67.34 2da0 s SER 33 CO 0.10 -0.23 -0.13 -0.69 0.98 0.00 0.00 173.24 173.27 2da0 s VAL 34 N 1.29 1.61 -0.13 5.02 1.01 -0.88 -0.56 120.40 127.77 2da0 s VAL 34 Ca -0.08 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 2da0 s VAL 34 Cb -0.06 -1.56 0.04 0.00 0.00 0.00 0.00 36.38 34.81 2da0 s VAL 34 CO -0.14 0.38 0.43 -0.75 0.00 0.00 0.00 175.10 175.03 2da0 s LYS 35 N 1.45 0.57 -1.65 2.72 2.20 -0.15 -3.37 119.74 121.51 2da0 s LYS 35 Ca 0.03 0.45 0.00 0.00 -0.36 0.00 0.00 55.97 56.10 2da0 s LYS 35 Cb -0.14 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 2da0 s LYS 35 CO -0.10 -0.10 0.00 0.09 -0.36 0.00 0.00 175.35 174.88 2da0 n ASN 36 N 2.46 -5.20 -0.51 1.43 5.03 -1.26 -0.70 115.26 116.50 2da0 n ASN 36 Ca -0.15 0.14 -0.05 0.00 0.87 0.00 0.00 54.58 55.39 2da0 n ASN 36 Cb 0.57 -4.42 -0.01 0.00 -1.02 0.00 0.00 39.78 34.90 2da0 n ASN 36 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2da0 n GLY 37 N -0.81 0.53 3.07 7.41 0.00 -1.26 -4.97 105.19 109.16 2da0 n GLY 37 Ca -0.21 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 2da0 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2da0 s ILE 38 N -2.23 1.22 -0.43 -0.61 -1.09 0.12 0.04 121.20 118.21 2da0 s ILE 38 Ca 0.00 -0.57 -0.09 0.00 -2.23 0.00 0.00 60.65 57.76 2da0 s ILE 38 Cb 0.00 -1.08 0.09 0.00 -1.58 0.00 0.00 42.46 39.89 2da0 s ILE 38 CO 0.00 0.37 0.28 -0.22 -1.23 0.00 0.00 174.94 174.14 2da0 s LEU 39 N 0.33 5.30 0.19 2.97 2.96 -0.12 -0.98 118.68 129.34 2da0 s LEU 39 Ca -0.09 -1.64 -0.21 0.00 -0.22 0.00 0.00 54.13 51.98 2da0 s LEU 39 Cb -0.13 -1.99 -0.08 0.00 0.50 0.00 0.00 46.19 44.49 2da0 s LEU 39 CO 0.03 -0.58 0.72 -0.89 -1.32 0.00 0.00 176.35 174.31 2da0 s THR 40 N 1.40 4.54 -0.32 3.68 2.01 0.27 -2.74 115.64 124.48 2da0 s THR 40 Ca 0.04 1.38 0.03 0.00 0.31 0.00 0.00 61.69 63.45 2da0 s THR 40 Cb -0.24 -3.93 0.09 0.00 0.01 0.00 0.00 72.50 68.43 2da0 s THR 40 CO 0.01 0.32 0.02 -0.63 -0.69 0.00 0.00 174.62 173.65 2da0 s ILE 41 N -1.39 2.12 0.38 1.82 1.01 -0.72 -2.74 121.20 121.70 2da0 s ILE 41 Ca 0.40 -2.10 -0.26 0.00 0.00 0.00 0.00 60.65 58.68 2da0 s ILE 41 Cb -0.19 -2.50 -0.11 0.00 0.01 0.00 0.00 42.46 39.67 2da0 s ILE 41 CO 0.22 -0.48 1.20 -1.20 0.00 0.00 0.00 174.94 174.68 2da0 n SER 42 N 4.35 2.27 -0.10 3.58 7.64 -1.17 -3.16 113.62 127.02 2da0 n SER 42 Ca -0.00 1.13 -0.22 0.00 1.01 0.00 0.00 58.87 60.79 2da0 n SER 42 Cb 0.42 -1.45 -0.12 0.00 -1.01 0.00 0.00 64.21 62.05 2da0 n SER 42 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2da0 n HIS 43 N -0.04 0.37 -2.80 1.43 8.25 -1.26 -4.73 115.22 116.45 2da0 n HIS 43 Ca 0.07 0.10 -0.12 0.00 -0.26 0.00 0.00 57.72 57.50 2da0 n HIS 43 Cb 0.38 -1.05 0.03 0.00 1.12 0.00 0.00 29.99 30.47 2da0 n HIS 43 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2da0 n ALA 44 N -3.42 -0.57 -3.52 -1.41 0.00 -1.26 -5.01 120.51 105.31 2da0 n ALA 44 Ca -0.44 0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.08 2da0 n ALA 44 Cb 0.95 -2.60 -0.02 0.00 0.00 0.00 0.00 19.45 17.79 2da0 n ALA 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2da0 s THR 45 N -2.97 0.00 -0.78 0.00 2.01 -1.26 -5.07 115.64 107.58 2da0 s THR 45 Ca 0.21 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 61.91 2da0 s THR 45 Cb -0.09 -1.19 -0.23 0.00 0.01 0.00 0.00 72.50 70.99 2da0 s THR 45 CO 0.26 0.00 1.82 -0.24 -0.69 0.00 0.00 174.62 175.77 2da0 n SER 46 N -0.36 -0.66 -3.90 3.53 2.88 -1.26 -4.78 113.62 109.06 2da0 n SER 46 Ca -0.13 -0.23 -0.09 0.00 -1.33 0.00 0.00 58.87 57.09 2da0 n SER 46 Cb 0.63 -0.52 -0.05 0.00 -0.75 0.00 0.00 64.21 63.52 2da0 n SER 46 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2da0 s ASN 47 N 2.48 -0.09 -0.22 -3.46 2.47 -1.26 -5.08 114.94 109.77 2da0 s ASN 47 Ca 1.03 -0.77 -0.08 0.00 0.42 0.00 0.00 52.86 53.47 2da0 s ASN 47 Cb -0.77 0.53 -0.11 0.00 -1.45 0.00 0.00 41.25 39.45 2da0 s ASN 47 CO 0.42 -1.02 -0.26 -2.11 -3.72 0.00 0.00 177.10 170.41 2da0 n ARG 48 N -0.31 0.49 -3.88 0.43 1.85 -1.26 -5.03 116.66 108.95 2da0 n ARG 48 Ca -0.06 0.18 -0.12 0.00 -1.00 0.00 0.00 57.85 56.85 2da0 n ARG 48 Cb 0.62 -1.33 -0.13 0.00 -1.05 0.00 0.00 32.46 30.58 2da0 n ARG 48 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2da0 s GLN 49 N -2.41 0.13 0.86 2.89 0.74 -1.26 -5.17 119.66 115.45 2da0 s GLN 49 Ca -0.30 -0.07 -0.15 0.00 0.05 0.00 0.00 55.36 54.89 2da0 s GLN 49 Cb 0.11 0.05 0.21 0.00 1.10 0.00 0.00 33.01 34.48 2da0 s GLN 49 CO 0.42 -0.02 0.77 -0.35 -0.55 0.00 0.00 175.29 175.55 2da0 n PRO 50 N 2.71 -2.52 -3.12 1.67 -0.04 -1.26 -4.99 135.00 127.46 2da0 n PRO 50 Ca -0.15 -1.23 -0.41 0.00 -0.04 0.00 0.00 63.50 61.67 2da0 n PRO 50 Cb 0.59 -1.15 -0.07 0.00 -0.04 0.00 0.00 33.50 32.83 2da0 n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2da0 s ALA 51 N -3.01 3.55 0.17 0.55 0.00 -1.19 -4.89 121.76 116.95 2da0 s ALA 51 Ca 0.50 -0.61 -0.11 0.00 0.00 0.00 0.00 51.96 51.73 2da0 s ALA 51 Cb -0.05 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 2da0 s ALA 51 CO 0.38 -1.02 0.52 0.15 0.00 0.00 0.00 175.76 175.80 2da0 s LYS 52 N 2.58 3.87 -0.11 0.00 -0.14 -1.26 -1.75 119.74 122.94 2da0 s LYS 52 Ca 0.25 0.34 -0.03 0.00 -1.36 0.00 0.00 55.97 55.17 2da0 s LYS 52 Cb -0.15 -2.82 0.05 0.00 -1.68 0.00 0.00 37.83 33.23 2da0 s LYS 52 CO 0.11 0.42 0.15 -0.51 -0.76 0.00 0.00 175.35 174.77 2da0 s LEU 53 N -2.32 -0.02 -0.46 3.17 1.43 -1.11 -4.95 118.68 114.42 2da0 s LEU 53 Ca 0.41 0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 53.37 2da0 s LEU 53 Cb -0.13 0.20 0.01 0.00 0.03 0.00 0.00 46.19 46.30 2da0 s LEU 53 CO 0.20 -0.27 1.41 0.20 0.23 0.00 0.00 176.35 178.12 2da0 s ASN 54 N 2.27 6.27 0.00 2.29 -0.87 -1.26 -0.95 114.94 122.70 2da0 s ASN 54 Ca 0.04 0.66 0.10 0.00 -1.57 0.00 0.00 52.86 52.09 2da0 s ASN 54 Cb -0.13 -2.54 0.44 0.00 -0.02 0.00 0.00 41.25 39.00 2da0 s ASN 54 CO -0.07 -1.51 1.32 0.18 -2.57 0.00 0.00 177.10 174.45 2da0 n LEU 55 N 9.05 0.00 0.22 0.60 4.32 0.11 -1.38 117.00 129.92 2da0 n LEU 55 Ca 0.15 0.49 0.13 0.00 -0.02 0.00 0.00 56.01 56.77 2da0 n LEU 55 Cb 0.48 -0.49 0.33 0.00 -1.62 0.00 0.00 43.42 42.12 2da0 n LEU 55 CO 0.71 -0.32 0.87 -0.07 -1.22 0.00 0.00 177.39 177.35 2da0 h LEU 56 N 0.00 0.00 0.00 2.23 3.38 -1.89 -3.30 115.31 115.73 2da0 h LEU 56 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2da0 h LEU 56 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2da0 h LEU 56 CO 0.00 0.00 -0.94 0.35 0.09 0.00 0.00 178.44 177.94 2da0 n THR 57 N -3.00 0.00 -0.64 0.22 -2.24 -0.70 -5.05 114.28 102.87 2da0 n THR 57 Ca 0.03 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 2da0 n THR 57 Cb 0.45 0.54 0.21 0.00 -2.10 0.00 0.00 70.33 69.43 2da0 n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2da0 s GLN 59 N -4.57 0.62 -0.60 0.00 0.74 -0.06 -4.95 119.66 110.84 2da0 s GLN 59 Ca 0.67 -0.32 -0.26 0.00 0.05 0.00 0.00 55.36 55.51 2da0 s GLN 59 Cb -0.24 -1.91 0.04 0.00 1.10 0.00 0.00 33.01 32.00 2da0 s GLN 59 CO 0.61 -0.59 1.08 0.08 -0.55 0.00 0.00 175.29 175.93 2da0 s VAL 60 N 1.89 4.15 -0.83 1.34 1.01 -1.26 -1.51 120.40 125.19 2da0 s VAL 60 Ca 0.00 0.44 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 2da0 s VAL 60 Cb -0.16 -4.68 0.21 0.00 0.00 0.00 0.00 36.38 31.75 2da0 s VAL 60 CO -0.08 -1.35 0.72 -0.54 0.00 0.00 0.00 175.10 173.86 2da0 s LYS 61 N 4.58 3.29 -0.18 2.72 -0.14 -0.27 -4.97 119.74 124.77 2da0 s LYS 61 Ca 0.34 -2.83 -0.29 0.00 -1.36 0.00 0.00 55.97 51.83 2da0 s LYS 61 Cb -0.11 -4.11 -0.03 0.00 -1.68 0.00 0.00 37.83 31.91 2da0 s LYS 61 CO 0.20 -1.24 1.58 -1.25 -0.76 0.00 0.00 175.35 173.87 2da0 s PRO 62 N -0.54 3.94 0.99 -1.68 0.04 -1.26 -1.36 135.00 135.13 2da0 s PRO 62 Ca 0.22 1.78 -0.17 0.00 0.04 0.00 0.00 61.00 62.88 2da0 s PRO 62 Cb -0.12 -3.99 0.07 0.00 0.04 0.00 0.00 34.50 30.49 2da0 s PRO 62 CO -0.08 -1.12 -0.16 0.27 0.04 0.00 0.00 177.00 175.96 2da0 n ASN 63 N 7.90 -2.72 0.00 6.66 2.04 -0.14 -4.97 115.26 124.03 2da0 n ASN 63 Ca 0.18 -0.21 0.00 0.00 -0.44 0.00 0.00 54.58 54.11 2da0 n ASN 63 Cb 0.45 -0.75 0.00 0.00 -2.53 0.00 0.00 39.78 36.95 2da0 n ASN 63 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2da0 n ALA 64 N -4.12 1.99 -0.32 -2.53 0.00 -1.26 -4.75 120.51 109.52 2da0 n ALA 64 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.55 2da0 n ALA 64 Cb 0.48 0.43 0.18 0.00 0.00 0.00 0.00 19.45 20.54 2da0 n ALA 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2da0 n GLU 65 N -2.35 -0.08 -3.60 0.00 1.02 -1.26 -4.68 120.64 109.69 2da0 n GLU 65 Ca 0.00 1.37 -0.07 0.00 -0.02 0.00 0.00 57.16 58.44 2da0 n GLU 65 Cb 0.47 -2.10 -0.05 0.00 -0.02 0.00 0.00 31.44 29.75 2da0 n GLU 65 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2da0 s ASP 66 N -5.14 -0.25 1.05 1.62 2.15 -1.26 -5.17 116.67 109.68 2da0 s ASP 66 Ca -0.13 0.27 -0.15 0.00 0.43 0.00 0.00 52.55 52.97 2da0 s ASP 66 Cb 0.25 0.20 0.19 0.00 -0.30 0.00 0.00 42.92 43.26 2da0 s ASP 66 CO 0.70 -0.23 0.37 0.29 -0.17 0.00 0.00 175.17 176.13 2da0 n LYS 67 N 0.65 -2.51 -3.31 4.34 4.76 -1.26 -4.17 118.16 116.66 2da0 n LYS 67 Ca -0.06 -0.74 -0.16 0.00 -2.87 0.00 0.00 58.31 54.48 2da0 n LYS 67 Cb 0.58 -1.52 0.08 0.00 -1.84 0.00 0.00 35.03 32.33 2da0 n LYS 67 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2da0 n LYS 68 N -2.18 -6.09 -3.25 1.97 5.02 -1.26 -5.01 118.16 107.37 2da0 n LYS 68 Ca 0.06 0.77 0.04 0.00 -2.02 0.00 0.00 58.31 57.16 2da0 n LYS 68 Cb 0.38 -5.55 -0.03 0.00 -0.02 0.00 0.00 35.03 29.81 2da0 n LYS 68 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2da0 s SER 69 N -4.17 -0.42 -0.03 4.39 0.01 -1.26 -4.29 113.70 107.93 2da0 s SER 69 Ca 0.04 0.43 -0.17 0.00 1.31 0.00 0.00 55.95 57.56 2da0 s SER 69 Cb -0.02 1.42 0.03 0.00 0.21 0.00 0.00 66.02 67.67 2da0 s SER 69 CO 0.66 -0.08 0.36 0.72 0.41 0.00 0.00 173.24 175.32 2da0 s PHE 70 N 2.58 -0.26 -0.16 2.43 -0.71 -1.22 -0.97 117.98 119.66 2da0 s PHE 70 Ca -0.01 0.45 -0.02 0.00 -1.04 0.00 0.00 56.93 56.31 2da0 s PHE 70 Cb -0.07 0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.87 2da0 s PHE 70 CO -0.14 -0.40 -0.10 -0.51 -1.34 0.00 0.00 175.22 172.72 2da0 s ASP 71 N -1.17 4.09 -0.49 1.98 1.01 -0.47 -2.83 116.67 118.80 2da0 s ASP 71 Ca -0.12 -0.36 -0.16 0.00 0.71 0.00 0.00 52.55 52.62 2da0 s ASP 71 Cb -0.04 -1.65 0.08 0.00 1.01 0.00 0.00 42.92 42.31 2da0 s ASP 71 CO 0.05 0.09 0.44 -0.22 0.21 0.00 0.00 175.17 175.74 2da0 s LEU 72 N 0.78 5.62 -0.40 1.23 2.96 -0.54 -1.11 118.68 127.21 2da0 s LEU 72 Ca -0.04 -1.34 -0.25 0.00 -0.22 0.00 0.00 54.13 52.29 2da0 s LEU 72 Cb -0.15 -2.21 0.02 0.00 0.50 0.00 0.00 46.19 44.34 2da0 s LEU 72 CO 0.01 -0.70 0.87 -0.63 -1.32 0.00 0.00 176.35 174.58 2da0 s ILE 73 N 1.76 4.60 0.94 6.68 1.01 -0.57 -0.13 121.20 135.50 2da0 s ILE 73 Ca 0.05 0.89 -0.14 0.00 0.00 0.00 0.00 60.65 61.45 2da0 s ILE 73 Cb -0.24 -4.32 0.16 0.00 0.01 0.00 0.00 42.46 38.06 2da0 s ILE 73 CO 0.07 -0.61 1.19 -0.55 0.00 0.00 0.00 174.94 175.03 2da0 s SER 74 N 2.01 3.25 0.08 3.58 0.15 0.29 -0.88 113.70 122.18 2da0 s SER 74 Ca 0.35 0.71 -0.16 0.00 0.70 0.00 0.00 55.95 57.56 2da0 s SER 74 Cb -0.12 -1.10 -0.04 0.00 -1.71 0.00 0.00 66.02 63.06 2da0 s SER 74 CO 0.21 -2.69 1.25 1.57 1.20 0.00 0.00 173.24 174.78 2da0 n HIS 75 N -3.82 -0.22 -2.43 3.44 -0.00 -1.26 -2.83 115.22 108.10 2da0 n HIS 75 Ca 0.10 0.63 -0.21 0.00 0.46 0.00 0.00 57.72 58.70 2da0 n HIS 75 Cb 0.60 -0.53 0.02 0.00 -0.12 0.00 0.00 29.99 29.95 2da0 n HIS 75 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 2da0 n ASN 76 N -4.13 3.89 -3.72 0.26 3.02 -1.26 -5.05 115.26 108.27 2da0 n ASN 76 Ca 0.01 -3.39 -0.03 0.00 -0.03 0.00 0.00 54.58 51.15 2da0 n ASN 76 Cb 0.13 -0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 38.84 2da0 n ASN 76 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2da0 s ARG 77 N -3.51 1.01 -0.04 3.52 3.52 -1.13 -5.17 118.95 117.15 2da0 s ARG 77 Ca 0.43 -0.55 0.04 0.00 -0.13 0.00 0.00 55.73 55.52 2da0 s ARG 77 Cb 0.41 0.35 -0.00 0.00 -1.56 0.00 0.00 34.95 34.14 2da0 s ARG 77 CO -0.08 -0.46 -0.15 0.99 -0.81 0.00 0.00 175.30 174.79 2da0 s THR 78 N -3.09 1.27 0.20 4.11 2.01 -1.26 0.11 115.64 118.99 2da0 s THR 78 Ca 0.12 -0.62 0.11 0.00 0.31 0.00 0.00 61.69 61.61 2da0 s THR 78 Cb -0.00 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 2da0 s THR 78 CO 0.01 0.37 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.78 2da0 s TYR 79 N 0.13 2.18 -0.05 4.92 1.51 0.82 -4.90 117.35 121.96 2da0 s TYR 79 Ca -0.05 -0.38 0.05 0.00 -1.01 0.00 0.00 57.07 55.68 2da0 s TYR 79 Cb -0.11 -1.06 -0.01 0.00 -0.11 0.00 0.00 41.96 40.67 2da0 s TYR 79 CO 0.02 0.49 -0.22 -1.01 -1.11 0.00 0.00 175.55 173.72 2da0 s HIS 80 N -1.89 2.14 0.07 2.71 3.76 -1.26 -1.47 115.29 119.34 2da0 s HIS 80 Ca 0.21 -0.64 -0.03 0.00 -0.15 0.00 0.00 55.06 54.45 2da0 s HIS 80 Cb -0.07 -1.42 -0.03 0.00 1.11 0.00 0.00 32.58 32.17 2da0 s HIS 80 CO 0.10 -0.21 0.03 -0.06 -0.85 0.00 0.00 174.74 173.75 2da0 s PHE 81 N -0.05 0.48 -0.13 1.40 0.08 -1.13 -3.61 117.98 115.02 2da0 s PHE 81 Ca -0.05 -0.98 -0.05 0.00 0.12 0.00 0.00 56.93 55.98 2da0 s PHE 81 Cb -0.13 -0.32 0.06 0.00 -0.57 0.00 0.00 43.02 42.06 2da0 s PHE 81 CO 0.03 -0.44 0.27 -1.14 -0.10 0.00 0.00 175.22 173.84 2da0 s GLN 82 N -3.92 0.16 0.36 0.44 0.74 0.08 -3.37 119.66 114.14 2da0 s GLN 82 Ca 0.09 0.73 -0.27 0.00 0.05 0.00 0.00 55.36 55.95 2da0 s GLN 82 Cb 0.07 -0.04 -0.09 0.00 1.10 0.00 0.00 33.01 34.05 2da0 s GLN 82 CO -0.09 -0.27 1.25 0.00 -0.55 0.00 0.00 175.29 175.64 2da0 s ALA 83 N 2.27 3.35 0.19 1.58 0.00 -1.26 -1.91 121.76 125.98 2da0 s ALA 83 Ca -0.00 1.15 -0.10 0.00 0.00 0.00 0.00 51.96 53.01 2da0 s ALA 83 Cb -0.12 -3.44 0.10 0.00 0.00 0.00 0.00 23.12 19.66 2da0 s ALA 83 CO -0.09 -0.60 1.72 0.93 0.00 0.00 0.00 175.76 177.72 2da0 h GLU 84 N 3.10 1.06 -4.48 0.00 5.08 -1.93 -3.46 114.58 113.94 2da0 h GLU 84 Ca -0.49 -0.23 -0.19 0.00 -1.00 0.00 0.00 59.36 57.45 2da0 h GLU 84 Cb 1.23 -0.15 -0.15 0.00 0.50 0.00 0.00 28.75 30.18 2da0 h GLU 84 CO 0.64 0.92 -0.67 -0.51 -1.00 0.00 0.00 179.01 178.39 2da0 s ASP 85 N -6.33 0.73 0.43 1.42 1.01 -1.26 -5.03 116.67 107.64 2da0 s ASP 85 Ca -0.12 -1.08 0.19 0.00 0.71 0.00 0.00 52.55 52.24 2da0 s ASP 85 Cb 0.14 0.18 1.13 0.00 1.01 0.00 0.00 42.92 45.39 2da0 s ASP 85 CO 0.83 -0.59 1.87 -0.08 0.21 0.00 0.00 175.17 177.40 2da0 h GLU 86 N 2.95 0.34 -0.24 8.23 4.81 -1.97 -0.31 114.58 128.39 2da0 h GLU 86 Ca -0.35 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.83 2da0 h GLU 86 Cb 1.17 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2da0 h GLU 86 CO 0.63 0.23 0.03 1.96 -0.73 0.00 0.00 179.01 181.13 2da0 h GLN 87 N 0.35 0.40 -0.81 1.92 1.08 -1.98 -1.87 115.11 114.20 2da0 h GLN 87 Ca 0.45 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.54 2da0 h GLN 87 Cb 1.21 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.56 2da0 h GLN 87 CO -0.15 0.55 0.50 0.22 -0.95 0.00 0.00 178.83 179.00 2da0 h ASP 88 N 0.20 0.95 0.66 1.46 3.58 -1.48 -1.77 116.42 120.01 2da0 h ASP 88 Ca 0.07 -0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2da0 h ASP 88 Cb 0.35 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.17 2da0 h ASP 88 CO 0.01 0.72 -0.32 0.22 -2.88 0.00 0.00 179.24 176.99 2da0 h TYR 89 N 1.10 -0.82 -0.98 0.28 5.03 -1.21 0.61 116.97 120.99 2da0 h TYR 89 Ca 0.29 -0.02 0.24 0.00 2.58 0.00 0.00 58.73 61.82 2da0 h TYR 89 Cb -0.07 0.27 -0.12 0.00 1.55 0.00 0.00 36.73 38.35 2da0 h TYR 89 CO 0.00 -0.51 0.56 0.28 -1.32 0.00 0.00 178.16 177.17 2da0 h VAL 90 N -1.11 0.54 0.26 1.81 2.07 -1.29 -1.49 116.25 117.04 2da0 h VAL 90 Ca -0.09 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2da0 h VAL 90 Cb 0.68 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2da0 h VAL 90 CO 0.15 0.10 -0.12 0.00 0.02 0.00 0.00 177.57 177.72 2da0 h ALA 91 N 1.72 -0.63 -0.71 1.67 0.00 -1.28 -2.78 119.26 117.25 2da0 h ALA 91 Ca 0.62 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.52 2da0 h ALA 91 Cb 1.17 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 2da0 h ALA 91 CO -0.48 -0.60 -0.42 0.91 0.00 0.00 0.00 179.25 178.66 2da0 n TRP 92 N -3.52 -0.31 -0.24 0.00 5.03 0.20 0.05 117.44 118.65 2da0 n TRP 92 Ca -0.04 0.89 0.03 0.00 3.03 0.00 0.00 57.50 61.40 2da0 n TRP 92 Cb 0.14 -0.55 0.12 0.00 -1.03 0.00 0.00 31.31 29.98 2da0 n TRP 92 CO 0.00 0.00 0.00 0.82 -0.03 0.00 0.00 177.69 178.48 2da0 h ILE 93 N 0.00 0.36 -0.86 -0.99 1.08 -1.41 0.24 117.51 115.94 2da0 h ILE 93 Ca 0.11 -0.02 0.07 0.00 -0.39 0.00 0.00 64.86 64.64 2da0 h ILE 93 Cb 0.29 0.29 -0.07 0.00 -3.07 0.00 0.00 36.82 34.26 2da0 h ILE 93 CO -0.67 0.01 0.52 0.28 -0.69 0.00 0.00 178.15 177.61 2da0 h SER 94 N 0.07 0.80 0.00 1.72 0.02 -0.09 -2.03 113.55 114.04 2da0 h SER 94 Ca 0.36 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 2da0 h SER 94 Cb 0.61 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2da0 h SER 94 CO -0.65 0.49 0.00 0.52 -1.14 0.00 0.00 176.83 176.05 2da0 n VAL 95 N -4.65 0.00 -0.23 2.27 0.31 0.57 -0.56 118.33 116.04 2da0 n VAL 95 Ca 0.13 0.89 0.13 0.00 -0.01 0.00 0.00 64.34 65.49 2da0 n VAL 95 Cb 0.22 -1.84 0.26 0.00 -0.91 0.00 0.00 33.84 31.56 2da0 n VAL 95 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2da0 n LEU 96 N -1.86 0.01 -0.03 7.52 4.77 0.39 0.14 117.00 127.95 2da0 n LEU 96 Ca 0.00 1.14 -0.15 0.00 -0.03 0.00 0.00 56.01 56.97 2da0 n LEU 96 Cb 0.00 -0.46 -0.11 0.00 -2.33 0.00 0.00 43.42 40.52 2da0 n LEU 96 CO 0.00 -1.19 0.41 0.74 -1.33 0.00 0.00 177.39 176.02 2da0 h THR 97 N 0.00 1.53 0.07 -5.08 2.02 -1.44 -3.24 112.91 106.77 2da0 h THR 97 Ca 0.46 -1.89 -0.00 0.00 0.77 0.00 0.00 66.41 65.74 2da0 h THR 97 Cb 1.04 2.70 -0.00 0.00 -1.74 0.00 0.00 68.15 70.15 2da0 h THR 97 CO -0.60 0.52 -0.09 0.78 0.37 0.00 0.00 175.52 176.50 2da0 h ASN 98 N -0.47 -0.24 -0.83 4.18 2.35 0.37 -1.88 115.58 119.05 2da0 h ASN 98 Ca -0.03 0.02 0.26 0.00 -0.55 0.00 0.00 56.30 56.01 2da0 h ASN 98 Cb 0.98 0.08 -0.15 0.00 0.05 0.00 0.00 38.32 39.28 2da0 h ASN 98 CO 0.05 -0.11 0.15 -0.24 -1.65 0.00 0.00 177.43 175.63 2da0 n SER 99 N -2.84 0.02 -0.09 5.81 2.88 0.13 0.18 113.62 119.71 2da0 n SER 99 Ca -0.02 1.40 -0.09 0.00 -1.33 0.00 0.00 58.87 58.83 2da0 n SER 99 Cb 0.08 -0.56 -0.02 0.00 -0.75 0.00 0.00 64.21 62.96 2da0 n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2da0 h LYS 100 N 0.00 0.41 0.00 -1.46 3.64 -1.48 0.17 116.57 117.85 2da0 h LYS 100 Ca 0.56 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.82 2da0 h LYS 100 Cb 1.29 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2da0 h LYS 100 CO -0.73 0.28 -0.48 0.93 -2.27 0.00 0.00 179.45 177.18 2da0 h GLU 101 N 0.41 0.00 0.00 1.90 5.08 0.26 -1.60 114.58 120.63 2da0 h GLU 101 Ca 0.11 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2da0 h GLU 101 Cb -0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2da0 h GLU 101 CO -0.02 0.48 -0.15 0.93 -1.00 0.00 0.00 179.01 179.25 2da0 h GLU 102 N 0.00 0.00 0.00 2.33 4.39 0.27 -1.49 114.58 120.09 2da0 h GLU 102 Ca -0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 2da0 h GLU 102 Cb 0.92 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 2da0 h GLU 102 CO 0.06 0.15 -1.39 0.00 -1.16 0.00 0.00 179.01 176.67 2da0 n ALA 103 N -2.14 2.11 -0.09 3.43 0.00 0.55 -4.26 120.51 120.12 2da0 n ALA 103 Ca 0.03 -0.50 -0.14 0.00 0.00 0.00 0.00 53.44 52.83 2da0 n ALA 103 Cb 0.56 -0.95 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 2da0 n ALA 103 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2da0 h LEU 104 N 0.00 0.00 -1.53 0.00 3.38 -1.30 -3.36 115.31 112.51 2da0 h LEU 104 Ca -0.13 -0.35 0.44 0.00 0.09 0.00 0.00 57.88 57.93 2da0 h LEU 104 Cb 1.43 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.12 2da0 h LEU 104 CO 0.03 1.14 1.33 1.07 0.09 0.00 0.00 178.44 182.10 2da0 n THR 105 N -4.53 0.00 -0.04 0.22 5.66 -0.56 0.14 114.28 115.17 2da0 n THR 105 Ca -0.20 1.38 -0.13 0.00 -3.05 0.00 0.00 64.05 62.05 2da0 n THR 105 Cb 0.48 -2.38 -0.09 0.00 -1.55 0.00 0.00 70.33 66.79 2da0 n THR 105 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 2da0 h MET 106 N 0.00 0.20 -4.02 1.09 2.86 -1.74 -3.46 114.93 109.86 2da0 h MET 106 Ca 0.72 -0.12 -0.45 0.00 -2.06 0.00 0.00 59.70 57.79 2da0 h MET 106 Cb 3.39 0.01 0.07 0.00 0.06 0.00 0.00 31.60 35.13 2da0 h MET 106 CO -0.01 0.70 -0.35 0.00 1.06 0.00 0.00 176.91 178.32 2da0 n ALA 107 N -2.42 -2.27 -3.93 6.32 0.00 0.37 -4.92 120.51 113.66 2da0 n ALA 107 Ca -0.08 0.30 -0.33 0.00 0.00 0.00 0.00 53.44 53.33 2da0 n ALA 107 Cb 0.36 -1.08 -0.15 0.00 0.00 0.00 0.00 19.45 18.58 2da0 n ALA 107 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2da0 s PHE 108 N -0.65 3.02 -0.06 0.00 -0.71 -1.26 -5.07 117.98 113.24 2da0 s PHE 108 Ca 0.43 -1.75 -0.16 0.00 -1.04 0.00 0.00 56.93 54.42 2da0 s PHE 108 Cb -0.63 -1.98 0.03 0.00 -1.21 0.00 0.00 43.02 39.23 2da0 s PHE 108 CO 0.38 -0.79 0.37 -1.54 -1.34 0.00 0.00 175.22 172.30 2da0 s SER 109 N 1.27 -0.30 0.00 1.98 1.04 -1.26 -5.14 113.70 111.29 2da0 s SER 109 Ca -0.00 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.79 2da0 s SER 109 Cb -0.16 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2da0 s SER 109 CO -0.07 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2da0 n GLY 110 N 1.74 -2.00 3.77 7.32 0.00 -1.26 -4.94 105.19 109.82 2da0 n GLY 110 Ca -0.19 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 2da0 n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2da0 s PRO 111 N -2.15 2.94 0.03 1.61 0.04 -1.26 -5.05 135.00 131.17 2da0 s PRO 111 Ca 0.00 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 2da0 s PRO 111 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2da0 s PRO 111 CO 0.00 -1.15 0.17 -1.12 0.04 0.00 0.00 177.00 174.94 2da0 s SER 112 N -2.38 6.16 0.07 6.66 0.01 -1.26 -5.11 113.70 117.85 2da0 s SER 112 Ca 0.68 0.24 0.08 0.00 1.31 0.00 0.00 55.95 58.27 2da0 s SER 112 Cb -0.21 -1.87 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 2da0 s SER 112 CO 0.38 0.22 -0.21 -0.94 0.41 0.00 0.00 173.24 173.09 2da0 s SER 113 N -2.20 3.61 0.00 2.44 1.04 -1.26 -5.30 113.70 112.04 2da0 s SER 113 Ca 0.30 -0.53 0.30 0.00 0.48 0.00 0.00 55.95 56.49 2da0 s SER 113 Cb -0.13 -0.47 1.43 0.00 0.10 0.00 0.00 66.02 66.95 2da0 s SER 113 CO 0.22 0.23 1.96 0.61 0.98 0.00 0.00 173.24 177.24