#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pf5 n GLU 3 N 0.00 2.73 -1.50 5.55 4.07 -1.26 -5.01 120.64 125.23 1pf5 n GLU 3 Ca 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 1pf5 n GLU 3 Cb 0.00 -0.65 -0.10 0.00 -0.06 0.00 0.00 31.44 30.64 1pf5 n GLU 3 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1pf5 n ARG 4 N -0.68 0.18 -3.82 5.31 3.00 -1.26 -4.69 116.66 114.69 1pf5 n ARG 4 Ca 0.00 -1.21 -0.36 0.00 -0.01 0.00 0.00 57.85 56.27 1pf5 n ARG 4 Cb 0.07 -3.37 -0.13 0.00 0.00 0.00 0.00 32.46 29.03 1pf5 n ARG 4 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1pf5 s THR 5 N 13.83 3.90 0.39 0.55 -4.23 -1.25 -5.04 115.64 123.79 1pf5 s THR 5 Ca 0.76 -0.33 -0.23 0.00 -1.18 0.00 0.00 61.69 60.71 1pf5 s THR 5 Cb -0.10 -2.82 -0.10 0.00 1.34 0.00 0.00 72.50 70.82 1pf5 s THR 5 CO 0.16 0.36 0.96 0.00 -0.54 0.00 0.00 174.62 175.56 1pf5 s ALA 6 N 1.55 3.09 -0.04 3.99 0.00 -1.26 -1.89 121.76 127.20 1pf5 s ALA 6 Ca 0.06 0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.55 1pf5 s ALA 6 Cb -0.15 -3.18 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 1pf5 s ALA 6 CO 0.01 0.08 -0.17 0.08 0.00 0.00 0.00 175.76 175.76 1pf5 s VAL 7 N -1.93 1.45 0.04 0.00 1.01 -0.29 -4.92 120.40 115.76 1pf5 s VAL 7 Ca 0.58 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.88 1pf5 s VAL 7 Cb -0.14 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1pf5 s VAL 7 CO 0.18 0.42 -0.13 -0.36 0.00 0.00 0.00 175.10 175.21 1pf5 s PHE 8 N 0.05 1.11 0.57 5.22 0.08 -1.26 -2.37 117.98 121.38 1pf5 s PHE 8 Ca -0.04 -0.35 -0.20 0.00 0.12 0.00 0.00 56.93 56.45 1pf5 s PHE 8 Cb -0.12 -0.66 -0.04 0.00 -0.57 0.00 0.00 43.02 41.63 1pf5 s PHE 8 CO 0.02 0.02 1.28 -2.14 -0.10 0.00 0.00 175.22 174.30 1pf5 s PRO 9 N -1.13 3.04 0.60 0.24 0.02 -1.26 -4.69 135.00 131.82 1pf5 s PRO 9 Ca 0.00 2.04 -0.18 0.00 0.02 0.00 0.00 61.00 62.87 1pf5 s PRO 9 Cb -0.08 -2.10 -0.03 0.00 0.02 0.00 0.00 34.50 32.31 1pf5 s PRO 9 CO 0.01 -1.21 1.20 0.00 -0.33 0.00 0.00 177.00 176.67 1pf5 s ALA 10 N -1.43 2.52 0.00 -1.55 0.00 -1.26 -4.76 121.76 115.28 1pf5 s ALA 10 Ca 0.75 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1pf5 s ALA 10 Cb -0.36 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1pf5 s ALA 10 CO 0.41 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1pf5 n GLY 11 N 0.46 -1.78 3.24 0.00 0.00 -1.26 -4.88 105.19 100.97 1pf5 n GLY 11 Ca 0.13 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 1pf5 n GLY 11 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pf5 s ARG 12 N 0.00 3.23 -0.22 1.61 6.06 -1.26 -5.05 118.95 123.32 1pf5 s ARG 12 Ca 0.00 -0.71 -0.04 0.00 -2.50 0.00 0.00 55.73 52.48 1pf5 s ARG 12 Cb 0.00 -2.83 0.08 0.00 0.06 0.00 0.00 34.95 32.26 1pf5 s ARG 12 CO 0.00 -0.19 0.12 -1.01 -2.50 0.00 0.00 175.30 171.72 1pf5 s HIS 13 N 1.38 0.17 -0.63 5.12 4.02 -1.26 -4.87 115.29 119.22 1pf5 s HIS 13 Ca 0.05 -0.46 -0.07 0.00 1.02 0.00 0.00 55.06 55.60 1pf5 s HIS 13 Cb -0.14 -0.73 0.16 0.00 -1.02 0.00 0.00 32.58 30.86 1pf5 s HIS 13 CO -0.07 -0.64 0.49 -1.12 1.02 0.00 0.00 174.74 174.41 1pf5 s SER 14 N 2.15 5.72 0.00 1.40 0.01 -1.24 -4.16 113.70 117.59 1pf5 s SER 14 Ca 0.05 -2.55 0.00 0.00 1.31 0.00 0.00 55.95 54.76 1pf5 s SER 14 Cb -0.16 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1pf5 s SER 14 CO -0.20 -0.51 0.00 0.18 0.41 0.00 0.00 173.24 173.13 1pf5 n LEU 15 N 4.00 0.00 0.05 2.44 4.77 -1.26 -4.56 117.00 122.44 1pf5 n LEU 15 Ca 0.05 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 1pf5 n LEU 15 Cb 0.41 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1pf5 n LEU 15 CO 0.36 0.00 0.38 1.88 -1.33 0.00 0.00 177.39 178.68 1pf5 h TYR 16 N 0.00 0.55 0.07 -1.77 0.05 -1.81 0.16 116.97 114.22 1pf5 h TYR 16 Ca 0.00 -0.23 -0.13 0.00 0.05 0.00 0.00 58.73 58.42 1pf5 h TYR 16 Cb 0.00 -0.09 0.01 0.00 1.01 0.00 0.00 36.73 37.67 1pf5 h TYR 16 CO 0.00 0.98 -0.55 0.00 -1.05 0.00 0.00 178.16 177.54 1pf5 h ALA 17 N 0.96 -0.02 -0.70 3.88 0.00 -1.83 -0.21 119.26 121.34 1pf5 h ALA 17 Ca -0.02 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1pf5 h ALA 17 Cb 1.26 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1pf5 h ALA 17 CO 0.12 0.27 0.38 1.49 0.00 0.00 0.00 179.25 181.50 1pf5 h GLU 18 N -0.43 0.98 -0.02 0.00 4.81 -1.79 -2.98 114.58 115.16 1pf5 h GLU 18 Ca -0.09 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1pf5 h GLU 18 Cb 1.37 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1pf5 h GLU 18 CO 0.11 0.74 -0.47 0.72 -0.73 0.00 0.00 179.01 179.37 1pf5 n HIS 19 N -4.48 0.00 -3.16 0.92 8.25 0.57 -5.03 115.22 112.29 1pf5 n HIS 19 Ca 0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.42 1pf5 n HIS 19 Cb 0.10 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.21 1pf5 n HIS 19 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1pf5 n ARG 20 N -0.03 -1.72 -3.55 -0.41 1.74 -0.18 -5.02 116.66 107.49 1pf5 n ARG 20 Ca 0.09 1.56 -0.16 0.00 -0.77 0.00 0.00 57.85 58.57 1pf5 n ARG 20 Cb 0.47 -4.85 -0.06 0.00 -1.02 0.00 0.00 32.46 27.00 1pf5 n ARG 20 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1pf5 s TYR 21 N -2.74 -0.53 0.29 -1.55 1.13 -0.67 -5.03 117.35 108.25 1pf5 s TYR 21 Ca 0.11 0.76 -0.15 0.00 -1.41 0.00 0.00 57.07 56.38 1pf5 s TYR 21 Cb -0.02 0.37 -0.09 0.00 -1.10 0.00 0.00 41.96 41.12 1pf5 s TYR 21 CO 0.79 -0.62 0.71 -1.12 -2.51 0.00 0.00 175.55 172.80 1pf5 s SER 22 N -1.60 6.81 0.30 -0.18 0.01 -1.26 -4.58 113.70 113.19 1pf5 s SER 22 Ca -0.08 1.26 0.02 0.00 1.31 0.00 0.00 55.95 58.46 1pf5 s SER 22 Cb -0.01 -2.36 0.46 0.00 0.21 0.00 0.00 66.02 64.32 1pf5 s SER 22 CO 0.04 -0.15 1.78 0.00 0.41 0.00 0.00 173.24 175.32 1pf5 h ALA 23 N 2.50 1.20 -2.98 1.44 0.00 -1.94 -3.42 119.26 116.07 1pf5 h ALA 23 Ca -0.48 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 1pf5 h ALA 23 Cb 1.18 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 1pf5 h ALA 23 CO 0.66 0.52 0.18 0.00 0.00 0.00 0.00 179.25 180.61 1pf5 s ALA 24 N -4.76 -1.49 -0.09 0.00 0.00 -1.00 -0.47 121.76 113.95 1pf5 s ALA 24 Ca -0.08 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.24 1pf5 s ALA 24 Cb 0.15 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.16 1pf5 s ALA 24 CO 0.79 -0.79 -0.09 0.42 0.00 0.00 0.00 175.76 176.09 1pf5 s ILE 25 N -3.77 1.01 -0.24 0.00 -1.09 0.21 -1.14 121.20 116.18 1pf5 s ILE 25 Ca 0.02 -0.33 -0.14 0.00 -2.23 0.00 0.00 60.65 57.97 1pf5 s ILE 25 Cb -0.01 -1.00 -0.04 0.00 -1.58 0.00 0.00 42.46 39.83 1pf5 s ILE 25 CO -0.11 0.35 0.34 -0.60 -1.23 0.00 0.00 174.94 173.70 1pf5 s ARG 26 N 1.33 4.08 -0.27 2.79 3.52 -0.79 -0.60 118.95 129.01 1pf5 s ARG 26 Ca -0.02 0.03 -0.03 0.00 -0.13 0.00 0.00 55.73 55.58 1pf5 s ARG 26 Cb -0.14 -3.60 0.09 0.00 -1.56 0.00 0.00 34.95 29.75 1pf5 s ARG 26 CO -0.04 -0.14 0.11 0.45 -0.81 0.00 0.00 175.30 174.87 1pf5 s SER 27 N 1.35 3.42 1.51 -2.12 0.15 0.57 -3.78 113.70 114.81 1pf5 s SER 27 Ca 0.15 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.57 1pf5 s SER 27 Cb -0.15 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 1pf5 s SER 27 CO 0.08 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1pf5 n GLY 28 N 5.14 3.04 1.83 9.45 0.00 -1.26 -2.22 105.19 121.16 1pf5 n GLY 28 Ca -0.06 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.84 1pf5 n GLY 28 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pf5 n ASP 29 N 8.31 5.53 -4.11 1.61 5.75 -1.25 -4.67 116.55 127.71 1pf5 n ASP 29 Ca 0.00 -2.81 -0.19 0.00 -0.01 0.00 0.00 54.79 51.78 1pf5 n ASP 29 Cb 0.00 -0.66 -0.13 0.00 -1.03 0.00 0.00 41.12 39.29 1pf5 n ASP 29 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1pf5 s LEU 30 N -2.53 2.15 -0.21 -2.12 1.43 -0.94 0.12 118.68 116.58 1pf5 s LEU 30 Ca 0.54 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 1pf5 s LEU 30 Cb 0.40 -0.53 0.03 0.00 0.03 0.00 0.00 46.19 46.12 1pf5 s LEU 30 CO 0.19 0.02 -0.16 -0.22 0.23 0.00 0.00 176.35 176.41 1pf5 s LEU 31 N -1.00 2.59 -0.39 1.79 2.96 0.16 -0.31 118.68 124.49 1pf5 s LEU 31 Ca 0.01 -0.86 -0.13 0.00 -0.22 0.00 0.00 54.13 52.93 1pf5 s LEU 31 Cb -0.07 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.12 1pf5 s LEU 31 CO 0.01 -0.06 0.24 -0.36 -1.32 0.00 0.00 176.35 174.86 1pf5 s PHE 32 N 1.25 3.24 -0.03 5.38 0.40 0.23 -0.94 117.98 127.51 1pf5 s PHE 32 Ca 0.01 -0.78 -0.16 0.00 -0.60 0.00 0.00 56.93 55.40 1pf5 s PHE 32 Cb -0.15 -2.50 -0.05 0.00 0.51 0.00 0.00 43.02 40.83 1pf5 s PHE 32 CO -0.10 -0.61 0.43 0.08 0.70 0.00 0.00 175.22 175.72 1pf5 s VAL 33 N 1.61 5.06 0.75 -0.44 1.01 -0.72 -0.62 120.40 127.05 1pf5 s VAL 33 Ca 0.03 0.87 -0.13 0.00 0.00 0.00 0.00 61.98 62.75 1pf5 s VAL 33 Cb -0.19 -3.74 0.05 0.00 0.00 0.00 0.00 36.38 32.50 1pf5 s VAL 33 CO 0.08 0.51 1.14 -0.44 0.00 0.00 0.00 175.10 176.39 1pf5 s SER 34 N -0.61 4.34 0.29 3.32 0.01 0.38 -3.94 113.70 117.50 1pf5 s SER 34 Ca 0.24 2.10 -0.30 0.00 1.31 0.00 0.00 55.95 59.30 1pf5 s SER 34 Cb -0.16 -2.56 -0.12 0.00 0.21 0.00 0.00 66.02 63.39 1pf5 s SER 34 CO 0.12 -2.15 1.50 0.61 0.41 0.00 0.00 173.24 173.73 1pf5 n GLY 35 N -0.28 1.08 3.82 3.44 0.00 -1.26 -4.66 105.19 107.34 1pf5 n GLY 35 Ca 0.11 0.44 -0.35 0.00 0.00 0.00 0.00 46.02 46.23 1pf5 n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pf5 s GLN 36 N -0.77 3.26 0.15 1.61 -1.52 -0.39 -4.85 119.66 117.15 1pf5 s GLN 36 Ca 0.63 -0.31 0.04 0.00 -1.95 0.00 0.00 55.36 53.77 1pf5 s GLN 36 Cb -0.55 -3.01 -0.04 0.00 -0.22 0.00 0.00 33.01 29.19 1pf5 s GLN 36 CO 0.52 0.71 -0.09 0.14 -0.25 0.00 0.00 175.29 176.32 1pf5 s VAL 37 N -1.11 1.10 -1.38 1.09 -7.23 -1.26 -1.83 120.40 109.78 1pf5 s VAL 37 Ca 0.19 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 58.16 1pf5 s VAL 37 Cb -0.12 -1.88 0.06 0.00 0.56 0.00 0.00 36.38 35.01 1pf5 s VAL 37 CO 0.09 -0.72 1.99 0.61 -0.31 0.00 0.00 175.10 176.76 1pf5 n GLY 38 N -0.20 3.65 3.68 2.32 0.00 -1.23 -4.17 105.19 109.24 1pf5 n GLY 38 Ca -0.10 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 1pf5 n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pf5 s SER 39 N 3.52 5.10 1.03 1.61 1.04 -1.26 -2.09 113.70 122.64 1pf5 s SER 39 Ca 0.49 -0.05 -0.17 0.00 0.48 0.00 0.00 55.95 56.71 1pf5 s SER 39 Cb 0.09 -1.31 0.23 0.00 0.10 0.00 0.00 66.02 65.14 1pf5 s SER 39 CO -0.01 0.25 1.28 0.54 0.98 0.00 0.00 173.24 176.28 1pf5 n ARG 40 N 1.20 -1.49 0.27 4.02 3.00 0.25 -4.88 116.66 119.02 1pf5 n ARG 40 Ca -0.14 -1.98 0.10 0.00 -0.01 0.00 0.00 57.85 55.83 1pf5 n ARG 40 Cb 0.52 -1.37 0.72 0.00 0.00 0.00 0.00 32.46 32.33 1pf5 n ARG 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1pf5 h GLU 41 N 0.00 0.00 -0.00 5.56 4.81 -1.89 -1.92 114.58 121.14 1pf5 h GLU 41 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1pf5 h GLU 41 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1pf5 h GLU 41 CO 0.29 0.04 -0.21 -0.40 -0.73 0.00 0.00 179.01 178.00 1pf5 n ASP 42 N -4.22 0.44 0.00 1.04 5.68 -1.26 -3.64 116.55 114.58 1pf5 n ASP 42 Ca -0.03 -0.29 0.00 0.00 -0.50 0.00 0.00 54.79 53.97 1pf5 n ASP 42 Cb 0.12 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1pf5 n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pf5 n GLY 43 N 1.39 0.50 3.88 6.12 0.00 -0.72 -4.95 105.19 111.41 1pf5 n GLY 43 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1pf5 n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pf5 s THR 44 N -2.10 4.95 0.52 2.61 -4.23 -1.26 -4.75 115.64 111.38 1pf5 s THR 44 Ca 0.00 0.39 -0.18 0.00 -1.18 0.00 0.00 61.69 60.71 1pf5 s THR 44 Cb 0.00 -3.64 -0.07 0.00 1.34 0.00 0.00 72.50 70.13 1pf5 s THR 44 CO 0.00 -0.12 1.03 -2.16 -0.54 0.00 0.00 174.62 172.82 1pf5 s PRO 45 N -2.97 3.72 -0.15 3.99 0.04 -1.26 -0.58 135.00 137.78 1pf5 s PRO 45 Ca 0.47 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 1pf5 s PRO 45 Cb -0.11 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1pf5 s PRO 45 CO 0.23 -0.48 1.25 -2.00 0.04 0.00 0.00 177.00 176.05 1pf5 s GLU 46 N -3.60 4.25 0.17 4.56 -6.30 -0.89 -4.86 118.70 112.03 1pf5 s GLU 46 Ca 0.64 1.66 -0.20 0.00 -2.50 0.00 0.00 54.97 54.58 1pf5 s GLU 46 Cb -0.14 -3.74 0.10 0.00 0.00 0.00 0.00 34.13 30.35 1pf5 s GLU 46 CO 0.26 -0.67 1.62 -1.35 0.02 0.00 0.00 175.26 175.14 1pf5 h PRO 47 N 8.10 -0.15 -6.59 4.30 0.11 -1.94 -3.39 132.00 132.44 1pf5 h PRO 47 Ca -0.27 0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.32 1pf5 h PRO 47 Cb 1.11 0.03 0.03 0.00 0.11 0.00 0.00 31.00 32.28 1pf5 h PRO 47 CO 0.96 -0.10 0.69 0.34 -0.21 0.00 0.00 178.00 179.68 1pf5 s ASP 48 N -5.12 6.87 0.05 -2.05 2.15 -1.26 -4.94 116.67 112.36 1pf5 s ASP 48 Ca -0.14 2.33 -0.25 0.00 0.43 0.00 0.00 52.55 54.92 1pf5 s ASP 48 Cb 0.15 -2.59 -0.13 0.00 -0.30 0.00 0.00 42.92 40.04 1pf5 s ASP 48 CO 0.70 -0.59 1.38 0.15 -0.17 0.00 0.00 175.17 176.64 1pf5 h PHE 49 N 6.26 -0.90 -0.78 -5.34 3.57 -2.00 -0.03 116.94 117.72 1pf5 h PHE 49 Ca -0.43 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.26 1pf5 h PHE 49 Cb 1.21 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 40.23 1pf5 h PHE 49 CO 0.64 -0.50 0.55 0.37 -2.23 0.00 0.00 178.31 177.14 1pf5 h GLN 50 N -0.83 0.16 -0.20 1.11 4.15 -1.93 0.39 115.11 117.96 1pf5 h GLN 50 Ca -0.07 -0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.17 1pf5 h GLN 50 Cb 0.66 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.31 1pf5 h GLN 50 CO 0.07 0.10 -0.56 1.96 -1.93 0.00 0.00 178.83 178.48 1pf5 h GLN 51 N 0.16 0.62 -0.58 1.69 1.08 -1.86 -2.00 115.11 114.22 1pf5 h GLN 51 Ca 0.38 -0.40 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1pf5 h GLN 51 Cb 1.27 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.73 1pf5 h GLN 51 CO -0.07 1.01 0.13 0.37 -0.95 0.00 0.00 178.83 179.32 1pf5 h GLN 52 N 0.47 0.94 -0.68 1.46 4.15 0.17 -0.06 115.11 121.56 1pf5 h GLN 52 Ca 0.01 -0.24 -0.03 0.00 0.77 0.00 0.00 58.65 59.16 1pf5 h GLN 52 Cb 1.12 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.66 1pf5 h GLN 52 CO 0.11 0.88 0.29 0.28 -1.93 0.00 0.00 178.83 178.46 1pf5 h VAL 53 N 0.85 1.24 -0.42 2.39 2.07 -1.07 0.51 116.25 121.82 1pf5 h VAL 53 Ca 0.18 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 1pf5 h VAL 53 Cb 0.37 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1pf5 h VAL 53 CO 0.00 0.29 0.07 0.03 0.02 0.00 0.00 177.57 177.99 1pf5 h ARG 54 N 0.96 0.69 -0.55 1.57 3.08 -1.09 -2.01 114.38 117.04 1pf5 h ARG 54 Ca 0.23 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 1pf5 h ARG 54 Cb 0.18 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1pf5 h ARG 54 CO -0.02 0.73 0.09 1.25 -1.07 0.00 0.00 179.97 180.94 1pf5 h LEU 55 N 0.54 0.83 -0.56 3.04 5.85 -0.75 -0.38 115.31 123.88 1pf5 h LEU 55 Ca 0.13 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1pf5 h LEU 55 Cb 0.37 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1pf5 h LEU 55 CO 0.01 0.84 0.35 0.00 -0.34 0.00 0.00 178.44 179.30 1pf5 h ALA 56 N 1.26 0.72 -0.26 1.25 0.00 -0.61 0.35 119.26 121.97 1pf5 h ALA 56 Ca 0.17 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1pf5 h ALA 56 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1pf5 h ALA 56 CO 0.01 0.09 -0.24 0.74 0.00 0.00 0.00 179.25 179.85 1pf5 h PHE 57 N 0.70 0.55 -0.27 0.00 0.04 -0.92 0.70 116.94 117.74 1pf5 h PHE 57 Ca 0.22 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 60.82 1pf5 h PHE 57 Cb -0.01 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 1pf5 h PHE 57 CO -0.05 0.69 -0.07 -0.44 -0.60 0.00 0.00 178.31 177.84 1pf5 h ASP 58 N 0.43 0.53 -0.67 2.17 3.32 -0.09 -0.45 116.42 121.65 1pf5 h ASP 58 Ca 0.07 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 56.71 1pf5 h ASP 58 Cb 0.65 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1pf5 h ASP 58 CO 0.05 0.77 0.31 0.78 -1.72 0.00 0.00 179.24 179.43 1pf5 h ASN 59 N 0.27 0.91 0.01 6.45 2.35 -0.05 -1.03 115.58 124.49 1pf5 h ASN 59 Ca 0.07 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1pf5 h ASN 59 Cb 0.55 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1pf5 h ASN 59 CO 0.03 0.79 -0.01 0.25 -1.65 0.00 0.00 177.43 176.84 1pf5 h LEU 60 N 0.99 -0.01 -0.78 1.61 5.85 -0.63 -1.52 115.31 120.83 1pf5 h LEU 60 Ca 0.24 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.94 1pf5 h LEU 60 Cb 0.14 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1pf5 h LEU 60 CO -0.03 0.06 0.48 -0.74 -0.34 0.00 0.00 178.44 177.87 1pf5 h HIS 61 N -0.09 0.88 -0.76 1.25 2.76 -0.74 0.09 115.15 118.55 1pf5 h HIS 61 Ca -0.00 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 1pf5 h HIS 61 Cb 0.08 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 28.72 1pf5 h HIS 61 CO -0.05 0.46 0.34 0.00 -1.30 0.00 0.00 177.93 177.38 1pf5 h ALA 62 N 1.36 1.17 -0.29 5.26 0.00 -0.97 0.13 119.26 125.93 1pf5 h ALA 62 Ca 0.33 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1pf5 h ALA 62 Cb 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1pf5 h ALA 62 CO -0.16 0.62 -0.19 1.15 0.00 0.00 0.00 179.25 180.67 1pf5 h THR 63 N 1.09 1.30 -0.29 0.00 2.02 -0.44 -2.56 112.91 114.03 1pf5 h THR 63 Ca 0.26 -1.32 0.01 0.00 0.77 0.00 0.00 66.41 66.13 1pf5 h THR 63 Cb 0.14 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1pf5 h THR 63 CO -0.03 0.42 0.18 -0.07 0.37 0.00 0.00 175.52 176.39 1pf5 h LEU 64 N 0.38 0.30 -0.83 2.58 3.38 -0.65 -2.55 115.31 117.92 1pf5 h LEU 64 Ca 0.06 -0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.17 1pf5 h LEU 64 Cb 0.73 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.32 1pf5 h LEU 64 CO 0.05 0.22 0.42 0.00 0.09 0.00 0.00 178.44 179.22 1pf5 h ALA 65 N 1.12 1.24 -0.02 1.53 0.00 -0.58 0.68 119.26 123.23 1pf5 h ALA 65 Ca 0.11 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1pf5 h ALA 65 Cb -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1pf5 h ALA 65 CO -0.04 -0.10 0.19 0.00 0.00 0.00 0.00 179.25 179.30 1pf5 h ALA 66 N 1.55 1.26 -0.04 0.00 0.00 -1.03 0.33 119.26 121.33 1pf5 h ALA 66 Ca 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1pf5 h ALA 66 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1pf5 h ALA 66 CO -0.36 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 178.68 1pf5 n ALA 67 N -2.01 2.47 -0.64 0.00 0.00 0.00 -4.87 120.51 115.46 1pf5 n ALA 67 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1pf5 n ALA 67 Cb 0.26 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1pf5 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pf5 n GLY 68 N 0.90 0.64 3.98 0.00 0.00 0.12 -5.06 105.19 105.76 1pf5 n GLY 68 Ca 0.10 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 1pf5 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pf5 s THR 70 N -2.31 0.00 0.57 0.00 -4.23 -1.26 -2.80 115.64 105.61 1pf5 s THR 70 Ca 0.50 -1.92 0.32 0.00 -1.18 0.00 0.00 61.69 59.41 1pf5 s THR 70 Cb -0.09 -2.52 0.36 0.00 1.34 0.00 0.00 72.50 71.59 1pf5 s THR 70 CO 0.31 0.00 2.25 -0.26 -0.54 0.00 0.00 174.62 176.38 1pf5 h PHE 71 N 2.19 0.00 0.00 3.99 0.04 -1.97 -1.97 116.94 119.22 1pf5 h PHE 71 Ca -0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1pf5 h PHE 71 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 1pf5 h PHE 71 CO 1.50 0.02 0.00 -0.44 -0.60 0.00 0.00 178.31 178.78 1pf5 h ASP 72 N 0.00 0.00 0.04 2.17 3.32 -1.99 -2.59 116.42 117.37 1pf5 h ASP 72 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pf5 h ASP 72 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1pf5 h ASP 72 CO 0.00 0.00 -0.12 0.47 -1.72 0.00 0.00 179.24 177.87 1pf5 n ASP 73 N -2.55 1.78 -4.69 6.45 8.00 -0.74 -4.91 116.55 119.90 1pf5 n ASP 73 Ca 0.01 -1.47 -0.42 0.00 0.71 0.00 0.00 54.79 53.62 1pf5 n ASP 73 Cb 0.24 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 1pf5 n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pf5 s ILE 74 N -2.18 3.55 -0.44 0.53 1.01 -0.98 -1.53 121.20 121.16 1pf5 s ILE 74 Ca 0.30 0.95 0.08 0.00 0.00 0.00 0.00 60.65 61.98 1pf5 s ILE 74 Cb 0.20 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 38.98 1pf5 s ILE 74 CO 0.40 -0.00 0.38 2.30 0.00 0.00 0.00 174.94 178.02 1pf5 n ILE 75 N 4.67 0.00 -3.70 2.92 -5.35 0.10 -4.93 119.36 113.07 1pf5 n ILE 75 Ca 0.14 -0.32 -0.12 0.00 -0.27 0.00 0.00 62.75 62.18 1pf5 n ILE 75 Cb 0.43 1.01 -0.10 0.00 -1.74 0.00 0.00 39.64 39.24 1pf5 n ILE 75 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1pf5 s ASP 76 N -1.72 -0.54 -0.05 7.28 -1.08 -1.05 -4.72 116.67 114.78 1pf5 s ASP 76 Ca 0.04 0.98 0.02 0.00 -0.52 0.00 0.00 52.55 53.07 1pf5 s ASP 76 Cb 0.06 0.93 0.01 0.00 -1.46 0.00 0.00 42.92 42.47 1pf5 s ASP 76 CO 0.33 -0.18 -0.09 -0.69 0.52 0.00 0.00 175.17 175.05 1pf5 s VAL 77 N 0.80 0.86 -0.05 1.11 1.01 -1.26 -1.78 120.40 121.08 1pf5 s VAL 77 Ca -0.04 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1pf5 s VAL 77 Cb -0.05 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.54 1pf5 s VAL 77 CO -0.06 0.29 -0.05 -0.89 0.00 0.00 0.00 175.10 174.39 1pf5 s THR 78 N 0.63 0.61 0.05 3.92 2.01 -0.20 -1.61 115.64 121.05 1pf5 s THR 78 Ca -0.11 -0.14 0.08 0.00 0.31 0.00 0.00 61.69 61.83 1pf5 s THR 78 Cb -0.14 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 1pf5 s THR 78 CO 0.02 0.25 -0.24 -0.94 -0.69 0.00 0.00 174.62 173.03 1pf5 s SER 79 N 1.06 2.82 0.02 3.53 1.04 0.63 -0.04 113.70 122.75 1pf5 s SER 79 Ca -0.09 -0.56 0.07 0.00 0.48 0.00 0.00 55.95 55.85 1pf5 s SER 79 Cb -0.14 -0.25 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 1pf5 s SER 79 CO -0.01 0.21 -0.20 -0.36 0.98 0.00 0.00 173.24 173.86 1pf5 s PHE 80 N -0.81 2.51 -0.02 5.02 0.08 -0.11 -0.82 117.98 123.84 1pf5 s PHE 80 Ca 0.10 -0.29 0.01 0.00 0.12 0.00 0.00 56.93 56.87 1pf5 s PHE 80 Cb -0.09 -1.49 0.01 0.00 -0.57 0.00 0.00 43.02 40.88 1pf5 s PHE 80 CO 0.02 0.18 -0.03 -1.01 -0.10 0.00 0.00 175.22 174.28 1pf5 s HIS 81 N -0.83 0.39 -0.40 0.36 3.76 -0.28 -2.38 115.29 115.91 1pf5 s HIS 81 Ca 0.13 -0.06 0.22 0.00 -0.15 0.00 0.00 55.06 55.20 1pf5 s HIS 81 Cb -0.10 -0.35 0.30 0.00 1.11 0.00 0.00 32.58 33.54 1pf5 s HIS 81 CO 0.03 -0.07 1.58 1.79 -0.85 0.00 0.00 174.74 177.21 1pf5 h THR 82 N 5.61 0.10 0.00 1.30 1.35 -1.70 0.21 112.91 119.77 1pf5 h THR 82 Ca -0.34 -1.14 -0.23 0.00 -0.55 0.00 0.00 66.41 64.15 1pf5 h THR 82 Cb 1.17 2.04 -0.15 0.00 -1.73 0.00 0.00 68.15 69.48 1pf5 h THR 82 CO 0.49 0.06 -0.43 -0.67 -0.25 0.00 0.00 175.52 174.72 1pf5 n ASP 83 N -3.10 -2.45 -0.38 5.36 2.03 -1.26 -4.83 116.55 111.92 1pf5 n ASP 83 Ca 0.04 -3.50 0.31 0.00 0.52 0.00 0.00 54.79 52.16 1pf5 n ASP 83 Cb 0.55 1.87 0.62 0.00 -0.72 0.00 0.00 41.12 43.44 1pf5 n ASP 83 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1pf5 h PRO 84 N 3.26 0.19 -0.25 -0.67 0.13 -1.94 -2.28 132.00 130.43 1pf5 h PRO 84 Ca -0.12 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1pf5 h PRO 84 Cb 1.09 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 1pf5 h PRO 84 CO 0.18 0.12 0.04 0.93 -0.23 0.00 0.00 178.00 179.04 1pf5 h GLU 85 N 0.19 0.13 -0.58 0.86 4.39 -1.97 -1.88 114.58 115.72 1pf5 h GLU 85 Ca 0.67 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.36 1pf5 h GLU 85 Cb 2.12 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.74 1pf5 h GLU 85 CO -0.25 0.09 0.00 0.09 -1.16 0.00 0.00 179.01 177.78 1pf5 n ASN 86 N -5.10 3.22 0.00 1.42 3.02 -0.88 -4.24 115.26 112.71 1pf5 n ASN 86 Ca -0.01 -2.11 0.00 0.00 -0.03 0.00 0.00 54.58 52.43 1pf5 n ASN 86 Cb 0.11 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 1pf5 n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pf5 n GLN 87 N 1.02 4.75 -0.05 3.52 6.02 -0.96 -4.81 117.38 126.86 1pf5 n GLN 87 Ca 0.19 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.17 1pf5 n GLN 87 Cb 0.55 -0.58 0.25 0.00 1.02 0.00 0.00 30.24 31.47 1pf5 n GLN 87 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1pf5 h PHE 88 N 0.00 0.67 -0.59 1.08 -5.15 -1.53 -1.27 116.94 110.16 1pf5 h PHE 88 Ca 0.00 -0.07 -0.05 0.00 -0.20 0.00 0.00 57.97 57.66 1pf5 h PHE 88 Cb 0.00 -0.20 -0.02 0.00 0.22 0.00 0.00 35.95 35.95 1pf5 h PHE 88 CO 0.00 0.61 0.18 0.93 -2.00 0.00 0.00 178.31 178.03 1pf5 h GLU 89 N 0.63 0.91 -0.48 6.09 3.07 -1.87 0.67 114.58 123.60 1pf5 h GLU 89 Ca 0.14 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 58.73 1pf5 h GLU 89 Cb 0.32 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1pf5 h GLU 89 CO 0.01 0.82 0.04 -0.44 -1.40 0.00 0.00 179.01 178.04 1pf5 h ASP 90 N 0.83 0.78 -0.48 1.42 3.32 -1.82 -2.14 116.42 118.33 1pf5 h ASP 90 Ca 0.19 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 1pf5 h ASP 90 Cb 0.30 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1pf5 h ASP 90 CO -0.00 0.87 0.17 0.40 -1.72 0.00 0.00 179.24 178.95 1pf5 h ILE 91 N 0.67 1.22 -0.66 0.35 2.04 -0.87 -2.82 117.51 117.44 1pf5 h ILE 91 Ca 0.14 -0.70 -0.07 0.00 1.00 0.00 0.00 64.86 65.23 1pf5 h ILE 91 Cb 0.44 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1pf5 h ILE 91 CO 0.02 0.26 0.15 0.24 0.00 0.00 0.00 178.15 178.81 1pf5 h MET 92 N 0.63 1.05 -0.44 2.37 2.86 -0.81 0.15 114.93 120.74 1pf5 h MET 92 Ca 0.16 -0.25 0.08 0.00 -2.06 0.00 0.00 59.70 57.63 1pf5 h MET 92 Cb 0.23 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.68 1pf5 h MET 92 CO -0.01 0.94 0.01 1.15 1.06 0.00 0.00 176.91 180.05 1pf5 h THR 93 N 1.00 0.67 -0.27 2.22 2.02 -1.20 0.18 112.91 117.52 1pf5 h THR 93 Ca 0.21 -0.04 -0.17 0.00 0.77 0.00 0.00 66.41 67.17 1pf5 h THR 93 Cb 0.37 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1pf5 h THR 93 CO 0.00 0.02 -0.50 0.58 0.37 0.00 0.00 175.52 175.99 1pf5 h VAL 94 N 0.12 1.29 -0.71 3.16 2.07 -1.22 -3.03 116.25 117.92 1pf5 h VAL 94 Ca 0.22 -1.70 -0.06 0.00 0.82 0.00 0.00 66.70 65.98 1pf5 h VAL 94 Cb 0.31 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1pf5 h VAL 94 CO -0.35 0.55 0.22 0.50 0.02 0.00 0.00 177.57 178.50 1pf5 h LYS 95 N 0.58 1.11 0.00 1.57 3.64 -0.21 -2.22 116.57 121.04 1pf5 h LYS 95 Ca 0.01 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1pf5 h LYS 95 Cb 1.11 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1pf5 h LYS 95 CO 0.11 0.96 0.00 0.09 -2.27 0.00 0.00 179.45 178.34 1pf5 n ASN 96 N -4.28 0.05 0.01 4.20 3.02 0.57 0.27 115.26 119.10 1pf5 n ASN 96 Ca 0.05 0.51 -0.19 0.00 -0.03 0.00 0.00 54.58 54.93 1pf5 n ASN 96 Cb 0.23 -0.52 -0.14 0.00 -0.61 0.00 0.00 39.78 38.74 1pf5 n ASN 96 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1pf5 h GLU 97 N 0.00 0.22 0.12 3.52 4.81 -1.32 -3.34 114.58 118.59 1pf5 h GLU 97 Ca 0.00 -0.37 -0.25 0.00 -0.13 0.00 0.00 59.36 58.61 1pf5 h GLU 97 Cb 0.35 0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.87 1pf5 h GLU 97 CO 0.00 1.07 -1.21 0.82 -0.73 0.00 0.00 179.01 178.96 1pf5 h ILE 98 N 0.06 1.20 -3.28 2.32 2.04 -1.05 -3.38 117.51 115.41 1pf5 h ILE 98 Ca -0.38 -2.45 -0.74 0.00 1.00 0.00 0.00 64.86 62.29 1pf5 h ILE 98 Cb 2.03 2.88 -0.33 0.00 -0.74 0.00 0.00 36.82 40.66 1pf5 h ILE 98 CO 0.10 0.70 0.13 0.49 0.00 0.00 0.00 178.15 179.56 1pf5 n PHE 99 N -4.00 4.30 0.09 1.37 3.72 0.14 -4.87 117.46 118.21 1pf5 n PHE 99 Ca -0.21 -3.92 -0.16 0.00 -0.05 0.00 0.00 57.45 53.11 1pf5 n PHE 99 Cb 0.87 -1.28 -0.09 0.00 -0.94 0.00 0.00 39.48 38.04 1pf5 n PHE 99 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1pf5 h SER 100 N 6.00 0.56 -4.71 4.37 4.64 -1.76 -3.40 113.55 119.26 1pf5 h SER 100 Ca 0.17 -0.52 -0.29 0.00 -0.47 0.00 0.00 61.79 60.69 1pf5 h SER 100 Cb 0.80 -0.18 -0.21 0.00 -0.31 0.00 0.00 62.40 62.50 1pf5 h SER 100 CO 0.95 1.35 -0.74 0.00 -0.87 0.00 0.00 176.83 177.53 1pf5 s ALA 101 N -2.99 0.69 0.85 5.18 0.00 -1.26 -5.05 121.76 119.18 1pf5 s ALA 101 Ca -0.06 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 1pf5 s ALA 101 Cb 0.07 0.04 0.10 0.00 0.00 0.00 0.00 23.12 23.34 1pf5 s ALA 101 CO 0.89 -0.02 1.10 -1.25 0.00 0.00 0.00 175.76 176.48 1pf5 s PRO 102 N -1.81 1.59 0.05 0.00 0.04 -1.26 -4.38 135.00 129.24 1pf5 s PRO 102 Ca -0.07 1.21 -0.31 0.00 0.04 0.00 0.00 61.00 61.88 1pf5 s PRO 102 Cb -0.09 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 1pf5 s PRO 102 CO 0.00 -2.12 1.52 -1.25 0.04 0.00 0.00 177.00 175.19 1pf5 s PRO 103 N -4.82 4.25 0.63 0.56 0.04 -1.26 -5.15 135.00 129.25 1pf5 s PRO 103 Ca 0.63 2.15 -0.12 0.00 0.04 0.00 0.00 61.00 63.71 1pf5 s PRO 103 Cb -0.19 -3.53 -0.03 0.00 0.04 0.00 0.00 34.50 30.79 1pf5 s PRO 103 CO 0.57 -0.63 1.04 0.71 0.04 0.00 0.00 177.00 178.73 1pf5 s TYR 104 N 2.30 3.33 0.83 0.56 2.02 -1.26 -5.03 117.35 120.10 1pf5 s TYR 104 Ca 0.69 1.39 -0.12 0.00 -0.37 0.00 0.00 57.07 58.66 1pf5 s TYR 104 Cb -0.36 -2.83 0.09 0.00 -0.40 0.00 0.00 41.96 38.46 1pf5 s TYR 104 CO 0.30 -0.89 1.11 -1.25 -1.57 0.00 0.00 175.55 173.24 1pf5 s PRO 105 N -4.81 1.82 0.44 -1.71 0.04 -1.26 -5.04 135.00 124.48 1pf5 s PRO 105 Ca 0.58 0.55 -0.07 0.00 0.04 0.00 0.00 61.00 62.10 1pf5 s PRO 105 Cb -0.13 -1.89 0.10 0.00 0.04 0.00 0.00 34.50 32.62 1pf5 s PRO 105 CO 0.49 -1.79 0.50 0.27 0.04 0.00 0.00 177.00 176.51 1pf5 n ASN 106 N -3.53 -0.55 -3.64 6.66 0.23 -1.26 -5.04 115.26 108.12 1pf5 n ASN 106 Ca 0.07 -1.03 -0.06 0.00 -0.53 0.00 0.00 54.58 53.03 1pf5 n ASN 106 Cb 0.57 -0.41 -0.07 0.00 -2.08 0.00 0.00 39.78 37.79 1pf5 n ASN 106 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 1pf5 s TRP 107 N -2.04 -0.28 -0.15 -2.53 -0.11 -1.26 -4.35 118.94 108.21 1pf5 s TRP 107 Ca 0.30 0.68 -0.03 0.00 1.22 0.00 0.00 56.10 58.28 1pf5 s TRP 107 Cb -0.02 0.42 0.05 0.00 -1.50 0.00 0.00 33.47 32.42 1pf5 s TRP 107 CO 0.22 -0.14 0.03 0.99 -4.62 0.00 0.00 176.95 173.43 1pf5 s THR 108 N 0.12 0.43 -0.15 5.86 2.01 -0.64 -5.02 115.64 118.24 1pf5 s THR 108 Ca 0.05 -0.31 -0.02 0.00 0.31 0.00 0.00 61.69 61.72 1pf5 s THR 108 Cb -0.05 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 1pf5 s THR 108 CO -0.10 -0.07 -0.08 0.00 -0.69 0.00 0.00 174.62 173.68 1pf5 s ALA 109 N 1.92 2.82 0.03 7.40 0.00 -1.26 -0.27 121.76 132.40 1pf5 s ALA 109 Ca 0.01 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1pf5 s ALA 109 Cb -0.15 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 1pf5 s ALA 109 CO -0.07 0.13 -0.10 0.08 0.00 0.00 0.00 175.76 175.80 1pf5 s VAL 110 N 0.52 0.73 -0.22 0.00 1.01 -0.00 -4.97 120.40 117.47 1pf5 s VAL 110 Ca -0.06 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 1pf5 s VAL 110 Cb -0.15 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1pf5 s VAL 110 CO 0.03 -0.11 0.64 -0.83 0.00 0.00 0.00 175.10 174.83 1pf5 s GLY 111 N -1.04 1.96 0.40 4.51 0.00 -1.26 -1.13 107.32 110.76 1pf5 s GLY 111 Ca -0.02 -0.32 0.07 0.00 0.00 0.00 0.00 44.72 44.45 1pf5 s GLY 111 CO 0.01 1.38 0.08 -1.34 0.00 0.00 0.00 173.10 173.22 1pf5 s VAL 112 N 2.14 2.17 -0.55 1.40 -7.23 0.73 -4.89 120.40 114.18 1pf5 s VAL 112 Ca 0.28 -1.88 0.22 0.00 -1.81 0.00 0.00 61.98 58.80 1pf5 s VAL 112 Cb -0.16 -2.98 -0.18 0.00 0.56 0.00 0.00 36.38 33.63 1pf5 s VAL 112 CO 0.10 -0.02 0.89 0.35 -0.31 0.00 0.00 175.10 176.11 1pf5 n THR 113 N -1.07 0.12 -3.59 5.32 -2.24 -1.26 -4.18 114.28 107.37 1pf5 n THR 113 Ca -0.03 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.33 1pf5 n THR 113 Cb 0.66 0.30 -0.07 0.00 -2.10 0.00 0.00 70.33 69.11 1pf5 n THR 113 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1pf5 s TRP 114 N -3.23 -0.71 -0.33 4.78 -0.00 -1.26 -5.03 118.94 113.16 1pf5 s TRP 114 Ca 0.02 1.52 0.17 0.00 -0.00 0.00 0.00 56.10 57.80 1pf5 s TRP 114 Cb 0.14 0.33 0.45 0.00 -0.00 0.00 0.00 33.47 34.39 1pf5 s TRP 114 CO 0.84 -0.48 1.17 1.28 -0.00 0.00 0.00 176.95 179.76 1pf5 n LEU 115 N 1.87 0.31 -3.69 5.86 4.77 -1.26 -4.99 117.00 119.87 1pf5 n LEU 115 Ca -0.16 -3.41 -0.28 0.00 -0.03 0.00 0.00 56.01 52.13 1pf5 n LEU 115 Cb 0.56 0.30 0.01 0.00 -2.33 0.00 0.00 43.42 41.96 1pf5 n LEU 115 CO 0.13 1.53 0.03 0.00 -1.33 0.00 0.00 177.39 177.74 1pf5 n ALA 116 N -0.53 -1.17 0.00 -1.18 0.00 -1.26 -1.16 120.51 115.21 1pf5 n ALA 116 Ca 0.02 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1pf5 n ALA 116 Cb 0.83 -3.68 0.00 0.00 0.00 0.00 0.00 19.45 16.61 1pf5 n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pf5 n GLY 117 N -1.44 2.46 3.95 0.00 0.00 -1.26 -5.03 105.19 103.87 1pf5 n GLY 117 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 1pf5 n GLY 117 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pf5 s PHE 118 N -2.67 3.09 -0.54 1.61 0.40 -0.31 -4.89 117.98 114.68 1pf5 s PHE 118 Ca 0.00 0.21 0.04 0.00 -0.60 0.00 0.00 56.93 56.59 1pf5 s PHE 118 Cb 0.00 -2.56 0.04 0.00 0.51 0.00 0.00 43.02 41.01 1pf5 s PHE 118 CO 0.00 -0.65 0.66 -0.25 0.70 0.00 0.00 175.22 175.68 1pf5 n ASP 119 N -2.28 1.41 -3.70 1.36 8.00 -1.26 -4.21 116.55 115.87 1pf5 n ASP 119 Ca 0.04 -1.22 -0.14 0.00 0.71 0.00 0.00 54.79 54.19 1pf5 n ASP 119 Cb 0.58 -0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.59 1pf5 n ASP 119 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1pf5 s PHE 120 N -0.39 -0.52 -0.11 1.24 2.19 -1.26 -3.08 117.98 116.06 1pf5 s PHE 120 Ca 0.05 1.23 -0.14 0.00 0.33 0.00 0.00 56.93 58.40 1pf5 s PHE 120 Cb 0.04 0.19 0.03 0.00 -1.31 0.00 0.00 43.02 41.97 1pf5 s PHE 120 CO 0.05 -0.28 0.36 -2.00 1.83 0.00 0.00 175.22 175.19 1pf5 s GLU 121 N 0.09 0.50 -0.15 10.12 2.12 -1.00 -4.50 118.70 125.88 1pf5 s GLU 121 Ca -0.01 0.34 -0.01 0.00 0.36 0.00 0.00 54.97 55.65 1pf5 s GLU 121 Cb -0.03 0.24 0.04 0.00 0.26 0.00 0.00 34.13 34.63 1pf5 s GLU 121 CO 0.01 -0.09 -0.03 -1.50 -0.54 0.00 0.00 175.26 173.12 1pf5 s ILE 122 N -0.19 0.83 -0.22 -3.70 2.07 -0.76 -0.93 121.20 118.30 1pf5 s ILE 122 Ca -0.03 -0.42 -0.12 0.00 -1.41 0.00 0.00 60.65 58.67 1pf5 s ILE 122 Cb -0.03 -1.05 -0.05 0.00 0.13 0.00 0.00 42.46 41.46 1pf5 s ILE 122 CO 0.02 0.11 0.21 -0.75 -1.91 0.00 0.00 174.94 172.62 1pf5 s LYS 123 N 1.76 4.14 0.10 3.50 2.20 0.94 -1.26 119.74 131.11 1pf5 s LYS 123 Ca 0.02 -0.13 0.05 0.00 -0.36 0.00 0.00 55.97 55.54 1pf5 s LYS 123 Cb -0.15 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 1pf5 s LYS 123 CO -0.07 0.12 -0.13 0.08 -0.36 0.00 0.00 175.35 174.98 1pf5 s VAL 124 N 0.88 1.14 -0.07 4.02 1.01 -1.25 -1.03 120.40 125.09 1pf5 s VAL 124 Ca 0.11 -1.53 0.03 0.00 0.00 0.00 0.00 61.98 60.58 1pf5 s VAL 124 Cb -0.13 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1pf5 s VAL 124 CO 0.04 -0.38 -0.15 -0.63 0.00 0.00 0.00 175.10 173.98 1pf5 s ILE 125 N -1.87 1.31 0.12 2.22 1.01 -0.73 -1.76 121.20 121.50 1pf5 s ILE 125 Ca 0.04 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.17 1pf5 s ILE 125 Cb -0.06 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1pf5 s ILE 125 CO 0.02 0.39 -0.19 0.00 0.00 0.00 0.00 174.94 175.16 1pf5 s ALA 126 N 0.49 1.78 -0.10 9.38 0.00 -0.12 0.01 121.76 133.21 1pf5 s ALA 126 Ca -0.13 -1.29 -0.19 0.00 0.00 0.00 0.00 51.96 50.35 1pf5 s ALA 126 Cb -0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 1pf5 s ALA 126 CO 0.04 0.30 0.52 -0.98 0.00 0.00 0.00 175.76 175.64 1pf5 s ARG 127 N -2.16 4.34 -0.47 0.00 1.04 -0.58 0.41 118.95 121.54 1pf5 s ARG 127 Ca 0.08 0.54 0.04 0.00 -1.04 0.00 0.00 55.73 55.35 1pf5 s ARG 127 Cb -0.09 -3.43 0.12 0.00 -2.04 0.00 0.00 34.95 29.52 1pf5 s ARG 127 CO 0.05 0.17 0.21 0.42 -0.04 0.00 0.00 175.30 176.10 1pf5 s ILE 128 N 0.55 2.35 0.11 4.99 1.01 0.12 -4.89 121.20 125.44 1pf5 s ILE 128 Ca 0.28 -2.98 -0.35 0.00 0.00 0.00 0.00 60.65 57.61 1pf5 s ILE 128 Cb -0.16 -2.66 -0.15 0.00 0.01 0.00 0.00 42.46 39.51 1pf5 s ILE 128 CO 0.12 -0.76 1.54 -2.65 0.00 0.00 0.00 174.94 173.19 1pf5 n PRO 129 N 3.45 1.85 -3.01 2.79 -0.02 -1.26 -3.97 135.00 134.84 1pf5 n PRO 129 Ca 0.05 0.67 -0.44 0.00 -2.02 0.00 0.00 63.50 61.76 1pf5 n PRO 129 Cb 0.35 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.39 1pf5 n PRO 129 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1pf5 s GLU 130 N 1.09 3.27 0.00 -0.52 8.01 -1.26 -5.00 118.70 124.29 1pf5 s GLU 130 Ca 0.82 -1.42 0.01 0.00 0.01 0.00 0.00 54.97 54.39 1pf5 s GLU 130 Cb -0.77 -4.46 0.01 0.00 -4.31 0.00 0.00 34.13 24.60 1pf5 s GLU 130 CO 0.42 -1.67 0.52 1.04 0.01 0.00 0.00 175.26 175.58