#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 n ASP 5 N 0.00 0.00 -3.64 0.41 -0.08 -1.26 -5.00 116.55 106.98 3cf5 n ASP 5 Ca 0.00 0.50 -0.05 0.00 -1.51 0.00 0.00 54.79 53.73 3cf5 n ASP 5 Cb 0.00 -0.18 -0.07 0.00 2.34 0.00 0.00 41.12 43.21 3cf5 n ASP 5 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 3cf5 s LEU 6 N -2.08 -0.19 0.00 -2.67 2.96 -1.26 -5.16 118.68 110.28 3cf5 s LEU 6 Ca 0.00 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 3cf5 s LEU 6 Cb 0.00 1.38 0.00 0.00 0.50 0.00 0.00 46.19 48.07 3cf5 s LEU 6 CO 0.00 -0.07 0.00 2.29 -1.32 0.00 0.00 176.35 177.25 3cf5 n LYS 7 N 1.78 0.00 0.00 1.98 0.00 -1.26 -5.00 118.16 115.66 3cf5 n LYS 7 Ca -0.11 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.24 3cf5 n LYS 7 Cb 0.57 0.00 0.21 0.00 -0.00 0.00 0.00 35.03 35.81 3cf5 n LYS 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3cf5 n PRO 8 N 0.00 0.15 -1.17 -1.58 -0.04 -1.26 -4.96 135.00 126.13 3cf5 n PRO 8 Ca 0.00 0.17 0.15 0.00 -0.04 0.00 0.00 63.50 63.77 3cf5 n PRO 8 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 3cf5 n PRO 8 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3cf5 n THR 9 N -1.23 -0.34 -4.86 0.52 -2.24 -1.26 -4.99 114.28 99.88 3cf5 n THR 9 Ca 0.04 0.56 -0.29 0.00 -2.27 0.00 0.00 64.05 62.10 3cf5 n THR 9 Cb 0.06 -0.96 -0.15 0.00 -2.10 0.00 0.00 70.33 67.18 3cf5 n THR 9 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3cf5 s PRO 10 N -3.48 1.70 0.00 -0.78 0.04 -1.26 -4.55 135.00 126.67 3cf5 s PRO 10 Ca 0.00 -1.04 0.00 0.00 0.04 0.00 0.00 61.00 60.00 3cf5 s PRO 10 Cb 0.00 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.70 3cf5 s PRO 10 CO 0.00 0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.93 3cf5 n GLY 11 N 1.86 0.56 0.50 0.56 0.00 -1.26 -4.67 105.19 102.73 3cf5 n GLY 11 Ca -0.17 -0.89 0.26 0.00 0.00 0.00 0.00 46.02 45.22 3cf5 n GLY 11 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3cf5 h SER 12 N 0.00 0.00 0.00 1.61 0.87 -1.96 1.21 113.55 115.28 3cf5 h SER 12 Ca 0.00 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.31 3cf5 h SER 12 Cb 0.00 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 3cf5 h SER 12 CO 0.00 0.00 -1.96 -2.11 -0.53 0.00 0.00 176.83 172.23 3cf5 n ARG 13 N -3.36 1.49 0.00 2.24 1.85 -1.26 -4.33 116.66 113.29 3cf5 n ARG 13 Ca 0.19 0.01 0.12 0.00 -1.00 0.00 0.00 57.85 57.18 3cf5 n ARG 13 Cb 1.30 -1.35 0.70 0.00 -1.05 0.00 0.00 32.46 32.06 3cf5 n ARG 13 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3cf5 n LYS 14 N -2.61 0.87 -2.41 2.89 3.00 0.32 -4.69 118.16 115.52 3cf5 n LYS 14 Ca -0.24 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.66 3cf5 n LYS 14 Cb 0.93 -1.43 -0.03 0.00 0.00 0.00 0.00 35.03 34.50 3cf5 n LYS 14 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3cf5 s ASP 15 N -1.87 5.97 0.81 3.14 2.15 0.34 -4.58 116.67 122.62 3cf5 s ASP 15 Ca 0.36 -0.13 -0.09 0.00 0.43 0.00 0.00 52.55 53.11 3cf5 s ASP 15 Cb 0.16 -2.55 0.12 0.00 -0.30 0.00 0.00 42.92 40.35 3cf5 s ASP 15 CO 0.27 -1.92 1.14 -0.13 -0.17 0.00 0.00 175.17 174.36 3cf5 s ARG 16 N 5.96 1.54 0.00 4.34 0.52 -1.26 -5.04 118.95 125.00 3cf5 s ARG 16 Ca 0.45 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.24 3cf5 s ARG 16 Cb -0.09 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.31 3cf5 s ARG 16 CO 0.18 -1.72 0.00 1.63 0.02 0.00 0.00 175.30 175.41 3cf5 n LYS 17 N -3.24 0.00 0.00 3.54 5.02 -1.26 -5.03 118.16 117.18 3cf5 n LYS 17 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3cf5 n LYS 17 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 3cf5 n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3cf5 n ARG 18 N 0.00 0.00 -2.46 1.97 1.74 -1.26 -4.97 116.66 111.68 3cf5 n ARG 18 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 3cf5 n ARG 18 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3cf5 n ARG 18 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3cf5 n VAL 19 N 0.00 -9.45 0.00 1.55 0.31 -1.26 -4.41 118.33 105.07 3cf5 n VAL 19 Ca 0.00 1.18 0.00 0.00 -0.01 0.00 0.00 64.34 65.51 3cf5 n VAL 19 Cb 0.02 -6.34 0.00 0.00 -0.91 0.00 0.00 33.84 26.61 3cf5 n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cf5 n GLY 20 N 0.25 2.19 0.47 2.92 0.00 -1.26 -4.94 105.19 104.82 3cf5 n GLY 20 Ca 0.03 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.39 3cf5 n GLY 20 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3cf5 h ARG 21 N 0.66 0.15 0.00 1.61 2.43 -1.94 -3.42 114.38 113.88 3cf5 h ARG 21 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3cf5 h ARG 21 Cb 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3cf5 h ARG 21 CO 0.00 0.10 0.00 0.41 -1.51 0.00 0.00 179.97 178.97 3cf5 n GLY 22 N -1.56 1.40 3.93 2.80 0.00 -1.26 -5.06 105.19 105.44 3cf5 n GLY 22 Ca 0.33 0.42 -0.25 0.00 0.00 0.00 0.00 46.02 46.52 3cf5 n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cf5 s PRO 23 N 0.00 3.52 0.60 1.61 0.04 -1.26 -5.04 135.00 134.47 3cf5 s PRO 23 Ca 0.00 -0.16 -0.18 0.00 0.04 0.00 0.00 61.00 60.70 3cf5 s PRO 23 Cb 0.00 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 3cf5 s PRO 23 CO 0.00 0.08 1.19 0.20 0.04 0.00 0.00 177.00 178.52 3cf5 s GLY 24 N -3.90 2.68 0.00 0.56 0.00 -1.26 -5.04 107.32 100.36 3cf5 s GLY 24 Ca 0.42 0.96 0.00 0.00 0.00 0.00 0.00 44.72 46.10 3cf5 s GLY 24 CO 0.37 1.35 0.00 0.61 0.00 0.00 0.00 173.10 175.43 3cf5 n GLY 25 N 0.41 -3.34 2.64 0.20 0.00 -1.26 -5.03 105.19 98.82 3cf5 n GLY 25 Ca 0.13 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 3cf5 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cf5 s THR 26 N -0.55 -0.10 -0.26 2.61 -4.23 -1.26 -5.12 115.64 106.72 3cf5 s THR 26 Ca 0.00 0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.56 3cf5 s THR 26 Cb 0.00 -0.36 -0.03 0.00 1.34 0.00 0.00 72.50 73.45 3cf5 s THR 26 CO 0.00 -0.05 0.10 -1.81 -0.54 0.00 0.00 174.62 172.32 3cf5 s ASP 27 N 2.16 5.32 -0.84 3.99 1.01 -1.26 -5.03 116.67 122.01 3cf5 s ASP 27 Ca 0.04 -0.22 -0.25 0.00 0.71 0.00 0.00 52.55 52.83 3cf5 s ASP 27 Cb -0.14 -1.96 -0.06 0.00 1.01 0.00 0.00 42.92 41.77 3cf5 s ASP 27 CO -0.06 -0.06 2.02 -0.54 0.21 0.00 0.00 175.17 176.74 3cf5 s LYS 28 N 1.64 2.41 -0.31 8.23 1.02 -1.26 -4.28 119.74 127.18 3cf5 s LYS 28 Ca 0.06 -0.03 0.02 0.00 0.02 0.00 0.00 55.97 56.05 3cf5 s LYS 28 Cb -0.15 -4.93 0.14 0.00 -0.52 0.00 0.00 37.83 32.36 3cf5 s LYS 28 CO 0.05 -3.47 1.16 2.41 -0.92 0.00 0.00 175.35 174.59 3cf5 n THR 29 N 7.94 0.00 -2.18 2.17 -1.04 -1.26 -4.83 114.28 115.08 3cf5 n THR 29 Ca 0.39 -0.62 -0.40 0.00 -2.04 0.00 0.00 64.05 61.38 3cf5 n THR 29 Cb 0.47 0.72 -0.02 0.00 -1.82 0.00 0.00 70.33 69.68 3cf5 n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cf5 n ALA 30 N -0.20 3.56 0.00 2.41 0.00 -1.26 -4.74 120.51 120.29 3cf5 n ALA 30 Ca -0.21 -3.64 0.00 0.00 0.00 0.00 0.00 53.44 49.59 3cf5 n ALA 30 Cb 0.68 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.56 3cf5 n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 31 N 5.15 -0.13 3.55 0.00 0.00 -1.26 -4.57 105.19 107.92 3cf5 n GLY 31 Ca 0.49 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 3cf5 n GLY 31 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cf5 s ARG 32 N -1.45 2.89 0.00 1.61 3.00 -1.26 -3.97 118.95 119.77 3cf5 s ARG 32 Ca 0.00 0.24 0.00 0.00 -1.00 0.00 0.00 55.73 54.97 3cf5 s ARG 32 Cb 0.00 -4.29 0.00 0.00 0.00 0.00 0.00 34.95 30.66 3cf5 s ARG 32 CO 0.00 -2.45 0.00 0.41 0.00 0.00 0.00 175.30 173.26 3cf5 n GLY 33 N 5.55 0.00 3.66 8.12 0.00 -1.26 -5.16 105.19 116.10 3cf5 n GLY 33 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3cf5 n GLY 33 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cf5 s HIS 34 N 0.00 3.23 -0.41 1.61 3.76 -1.25 -4.92 115.29 117.31 3cf5 s HIS 34 Ca 0.00 0.12 0.04 0.00 -0.15 0.00 0.00 55.06 55.07 3cf5 s HIS 34 Cb 0.00 -1.94 0.29 0.00 1.11 0.00 0.00 32.58 32.05 3cf5 s HIS 34 CO 0.00 0.32 1.15 1.63 -0.85 0.00 0.00 174.74 176.99 3cf5 n LYS 35 N 2.82 0.57 -1.13 1.40 5.02 -1.26 -4.85 118.16 120.73 3cf5 n LYS 35 Ca -0.18 -1.33 -0.33 0.00 -2.02 0.00 0.00 58.31 54.45 3cf5 n LYS 35 Cb 0.53 -0.77 0.12 0.00 -0.02 0.00 0.00 35.03 34.89 3cf5 n LYS 35 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3cf5 s GLY 36 N -0.92 2.11 0.00 0.72 0.00 -1.26 -4.89 107.32 103.09 3cf5 s GLY 36 Ca 0.25 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.77 3cf5 s GLY 36 CO -0.14 1.21 0.00 -1.06 0.00 0.00 0.00 173.10 173.11 3cf5 n GLN 37 N -3.32 0.00 0.00 2.90 6.02 -1.26 -4.91 117.38 116.82 3cf5 n GLN 37 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 3cf5 n GLN 37 Cb 0.51 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.77 3cf5 n GLN 37 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3cf5 n LYS 38 N 1.24 0.00 0.00 -1.09 5.02 -1.26 -4.72 118.16 117.35 3cf5 n LYS 38 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3cf5 n LYS 38 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3cf5 n LYS 38 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3cf5 n SER 39 N 0.00 0.00 0.00 4.39 2.88 -1.26 -5.13 113.62 114.50 3cf5 n SER 39 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3cf5 n SER 39 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3cf5 n SER 39 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3cf5 n ARG 40 N 0.00 0.00 -0.99 -1.46 1.74 -1.26 -5.01 116.66 109.67 3cf5 n ARG 40 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3cf5 n ARG 40 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3cf5 n ARG 40 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3cf5 n SER 41 N -0.12 -1.96 -3.60 0.55 3.41 -1.26 -5.01 113.62 105.63 3cf5 n SER 41 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 3cf5 n SER 41 Cb 0.00 -0.33 -0.05 0.00 -0.26 0.00 0.00 64.21 63.57 3cf5 n SER 41 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3cf5 s GLY 42 N -2.00 -0.51 0.00 5.00 0.00 -1.26 -5.15 107.32 103.41 3cf5 s GLY 42 Ca 0.00 2.61 0.00 0.00 0.00 0.00 0.00 44.72 47.33 3cf5 s GLY 42 CO 0.00 2.86 0.00 0.00 0.00 0.00 0.00 173.10 175.96 3cf5 n ALA 43 N 4.82 0.00 -2.18 3.20 0.00 -1.26 -4.87 120.51 120.23 3cf5 n ALA 43 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.21 3cf5 n ALA 43 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 3cf5 n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 44 N -0.20 -0.26 0.00 0.00 0.00 -1.26 -4.70 105.19 98.77 3cf5 n GLY 44 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3cf5 n GLY 44 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cf5 n LYS 45 N -1.77 0.00 -3.21 1.61 0.00 -1.26 -5.15 118.16 108.37 3cf5 n LYS 45 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.37 3cf5 n LYS 45 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.28 3cf5 n LYS 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3cf5 s GLY 46 N -2.45 -0.93 0.00 3.14 0.00 -1.26 -5.02 107.32 100.80 3cf5 s GLY 46 Ca 0.00 1.97 0.00 0.00 0.00 0.00 0.00 44.72 46.69 3cf5 s GLY 46 CO 0.00 3.36 0.00 0.00 0.00 0.00 0.00 173.10 176.46 3cf5 n ALA 47 N 5.43 0.00 0.14 3.20 0.00 -1.26 -4.90 120.51 123.12 3cf5 n ALA 47 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.43 3cf5 n ALA 47 Cb 0.51 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.04 3cf5 n ALA 47 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3cf5 n PHE 48 N 0.00 0.00 -0.87 0.00 3.01 -1.26 -4.87 117.46 113.46 3cf5 n PHE 48 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3cf5 n PHE 48 Cb 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 3cf5 n PHE 48 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3cf5 n PHE 49 N -1.42 -0.08 -1.49 1.38 0.99 -1.26 -4.84 117.46 110.73 3cf5 n PHE 49 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 3cf5 n PHE 49 Cb 0.04 0.03 0.00 0.00 -1.00 0.00 0.00 39.48 38.54 3cf5 n PHE 49 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3cf5 n GLU 50 N 0.00 0.00 0.00 -1.08 1.02 -1.26 -5.06 120.64 114.25 3cf5 n GLU 50 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3cf5 n GLU 50 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 3cf5 n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cf5 n GLY 51 N 0.00 1.74 0.00 0.62 0.00 -1.26 -5.11 105.19 101.18 3cf5 n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3cf5 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 52 N 4.66 0.14 2.83 -0.02 0.00 -1.26 -4.89 105.19 106.65 3cf5 n GLY 52 Ca 0.00 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 3cf5 n GLY 52 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3cf5 n ARG 53 N 0.00 1.96 0.00 1.61 -4.01 -1.26 -1.96 116.66 113.00 3cf5 n ARG 53 Ca 0.00 -1.78 0.00 0.00 -1.04 0.00 0.00 57.85 55.03 3cf5 n ARG 53 Cb 0.00 -2.76 0.00 0.00 -3.04 0.00 0.00 32.46 26.66 3cf5 n ARG 53 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 3cf5 n SER 54 N 5.86 0.00 -3.20 2.89 2.88 -1.26 -4.60 113.62 116.19 3cf5 n SER 54 Ca 0.49 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.67 3cf5 n SER 54 Cb 0.29 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 3cf5 n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3cf5 n ARG 55 N 0.00 3.89 0.00 -1.46 1.74 -0.83 -4.55 116.66 115.45 3cf5 n ARG 55 Ca 0.00 -2.79 0.00 0.00 -0.77 0.00 0.00 57.85 54.29 3cf5 n ARG 55 Cb 0.00 -2.57 0.00 0.00 -1.02 0.00 0.00 32.46 28.87 3cf5 n ARG 55 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3cf5 n LEU 56 N 2.18 0.00 -0.29 0.55 4.77 -1.26 -4.80 117.00 118.14 3cf5 n LEU 56 Ca 0.64 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.54 3cf5 n LEU 56 Cb 0.33 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 3cf5 n LEU 56 CO 0.65 0.00 0.42 -0.38 -1.33 0.00 0.00 177.39 176.75 3cf5 n ILE 57 N 0.00 -0.48 -2.19 -0.08 2.08 -1.26 -3.05 119.36 114.38 3cf5 n ILE 57 Ca 0.00 1.95 -0.27 0.00 0.56 0.00 0.00 62.75 64.98 3cf5 n ILE 57 Cb 0.00 -2.43 0.14 0.00 -0.75 0.00 0.00 39.64 36.60 3cf5 n ILE 57 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3cf5 s ALA 58 N -5.13 2.87 0.00 -1.39 0.00 -1.26 -3.88 121.76 112.97 3cf5 s ALA 58 Ca -0.08 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.55 3cf5 s ALA 58 Cb 0.08 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.70 3cf5 s ALA 58 CO 0.43 -1.94 0.00 0.54 0.00 0.00 0.00 175.76 174.80 3cf5 n ARG 59 N -3.33 0.00 -2.89 0.00 3.00 -1.26 -4.68 116.66 107.50 3cf5 n ARG 59 Ca 0.14 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.57 3cf5 n ARG 59 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.02 3cf5 n ARG 59 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3cf5 s LEU 60 N 0.00 4.42 0.29 0.55 2.96 -1.17 -5.04 118.68 120.69 3cf5 s LEU 60 Ca 0.00 1.51 -0.17 0.00 -0.22 0.00 0.00 54.13 55.26 3cf5 s LEU 60 Cb 0.00 -3.34 -0.09 0.00 0.50 0.00 0.00 46.19 43.26 3cf5 s LEU 60 CO 0.00 -0.08 0.74 -2.16 -1.32 0.00 0.00 176.35 173.53 3cf5 s PRO 61 N 0.32 4.09 0.00 0.98 0.04 -1.26 -5.04 135.00 134.13 3cf5 s PRO 61 Ca 0.43 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.21 3cf5 s PRO 61 Cb -0.21 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.77 3cf5 s PRO 61 CO 0.24 0.23 0.00 1.17 0.04 0.00 0.00 177.00 178.68 3cf5 n LYS 62 N -0.03 0.00 0.00 4.56 4.81 -1.26 -5.02 118.16 121.22 3cf5 n LYS 62 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3cf5 n LYS 62 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 3cf5 n LYS 62 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3cf5 n ARG 63 N -0.81 1.52 0.00 1.64 0.63 -1.26 -5.10 116.66 113.28 3cf5 n ARG 63 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3cf5 n ARG 63 Cb 0.00 -0.18 0.00 0.00 0.45 0.00 0.00 32.46 32.73 3cf5 n ARG 63 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3cf5 n GLY 64 N -0.04 0.56 0.00 5.14 0.00 -1.26 -4.67 105.19 104.92 3cf5 n GLY 64 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3cf5 n GLY 64 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3cf5 n PHE 65 N 3.68 0.00 -2.49 1.61 7.35 -1.26 -5.16 117.46 121.18 3cf5 n PHE 65 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 3cf5 n PHE 65 Cb 0.00 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 3cf5 n PHE 65 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3cf5 s ASN 66 N 0.00 7.27 0.12 -2.13 3.04 -1.26 -4.96 114.94 117.02 3cf5 s ASN 66 Ca 0.00 2.19 0.00 0.00 0.04 0.00 0.00 52.86 55.09 3cf5 s ASN 66 Cb 0.00 -2.62 0.00 0.00 -1.54 0.00 0.00 41.25 37.09 3cf5 s ASN 66 CO 0.00 -0.18 0.00 -3.20 -3.04 0.00 0.00 177.10 170.68 3cf5 n ASN 67 N 1.75 0.40 -3.10 -4.21 2.85 -1.26 -5.09 115.26 106.59 3cf5 n ASN 67 Ca 0.01 0.19 -0.08 0.00 -0.11 0.00 0.00 54.58 54.59 3cf5 n ASN 67 Cb 0.45 -0.02 0.04 0.00 1.24 0.00 0.00 39.78 41.49 3cf5 n ASN 67 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3cf5 n VAL 68 N -3.17 -9.33 0.00 3.44 0.31 -1.26 -5.04 118.33 103.28 3cf5 n VAL 68 Ca 0.00 -0.83 0.00 0.00 -0.01 0.00 0.00 64.34 63.50 3cf5 n VAL 68 Cb 0.00 -6.59 0.00 0.00 -0.91 0.00 0.00 33.84 26.34 3cf5 n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cf5 n GLY 69 N -1.46 1.73 3.57 2.92 0.00 -1.26 -5.02 105.19 105.66 3cf5 n GLY 69 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3cf5 n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cf5 s THR 70 N 0.09 3.31 -0.22 2.61 2.01 -1.26 -5.11 115.64 117.08 3cf5 s THR 70 Ca 0.00 -1.32 -0.01 0.00 0.31 0.00 0.00 61.69 60.67 3cf5 s THR 70 Cb 0.00 -2.56 0.06 0.00 0.01 0.00 0.00 72.50 70.02 3cf5 s THR 70 CO 0.00 0.09 0.01 -0.89 -0.69 0.00 0.00 174.62 173.14 3cf5 s THR 71 N -1.25 0.90 0.17 -0.82 2.01 -1.26 -5.12 115.64 110.27 3cf5 s THR 71 Ca 0.21 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 61.05 3cf5 s THR 71 Cb -0.11 -1.36 -0.07 0.00 0.01 0.00 0.00 72.50 70.97 3cf5 s THR 71 CO 0.14 -0.22 0.92 -0.31 -0.69 0.00 0.00 174.62 174.45 3cf5 s TYR 72 N 1.67 3.90 -0.33 4.92 1.51 -1.26 -4.25 117.35 123.51 3cf5 s TYR 72 Ca -0.01 1.82 -0.28 0.00 -1.01 0.00 0.00 57.07 57.58 3cf5 s TYR 72 Cb -0.18 -2.98 0.02 0.00 -0.11 0.00 0.00 41.96 38.71 3cf5 s TYR 72 CO -0.09 0.35 1.02 -1.21 -1.11 0.00 0.00 175.55 174.52 3cf5 s GLU 73 N -0.64 4.00 -0.15 -0.62 8.01 -1.26 -4.75 118.70 123.30 3cf5 s GLU 73 Ca 0.43 0.92 -0.29 0.00 0.01 0.00 0.00 54.97 56.03 3cf5 s GLU 73 Cb -0.24 -3.75 -0.02 0.00 -4.31 0.00 0.00 34.13 25.81 3cf5 s GLU 73 CO 0.30 -0.91 1.26 0.08 0.01 0.00 0.00 175.26 176.01 3cf5 s VAL 74 N 3.59 4.26 -0.72 2.63 1.01 -1.26 -0.05 120.40 129.85 3cf5 s VAL 74 Ca 0.43 1.53 0.01 0.00 0.00 0.00 0.00 61.98 63.95 3cf5 s VAL 74 Cb -0.12 -3.99 0.18 0.00 0.00 0.00 0.00 36.38 32.45 3cf5 s VAL 74 CO 0.16 -0.12 0.54 -0.69 0.00 0.00 0.00 175.10 175.00 3cf5 s VAL 75 N 3.32 3.53 0.82 2.92 1.01 -0.22 -4.97 120.40 126.80 3cf5 s VAL 75 Ca 0.55 -3.69 -0.16 0.00 0.00 0.00 0.00 61.98 58.69 3cf5 s VAL 75 Cb -0.22 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 3cf5 s VAL 75 CO 0.16 -0.97 0.12 1.17 0.00 0.00 0.00 175.10 175.58 3cf5 n LYS 76 N 2.62 0.04 0.07 2.72 4.81 -1.26 -3.64 118.16 123.51 3cf5 n LYS 76 Ca 0.15 0.04 -0.13 0.00 -0.87 0.00 0.00 58.31 57.51 3cf5 n LYS 76 Cb 0.36 -1.56 -0.08 0.00 0.02 0.00 0.00 35.03 33.77 3cf5 n LYS 76 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3cf5 h LEU 77 N -0.79 -0.12 -2.02 3.14 5.85 -1.78 -2.09 115.31 117.51 3cf5 h LEU 77 Ca -0.44 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.10 3cf5 h LEU 77 Cb 1.33 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 3cf5 h LEU 77 CO 0.36 0.13 0.34 0.77 -0.34 0.00 0.00 178.44 179.69 3cf5 h SER 78 N -0.36 0.00 0.39 1.25 4.64 -1.85 -1.24 113.55 116.36 3cf5 h SER 78 Ca -0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 3cf5 h SER 78 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3cf5 h SER 78 CO 0.02 0.00 -0.28 1.56 -0.87 0.00 0.00 176.83 177.27 3cf5 h GLN 79 N 0.00 -0.61 0.00 4.77 1.08 -1.71 -3.35 115.11 115.30 3cf5 h GLN 79 Ca 0.02 0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 3cf5 h GLN 79 Cb 0.69 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 3cf5 h GLN 79 CO -0.00 -0.41 -0.07 -0.07 -0.95 0.00 0.00 178.83 177.34 3cf5 h LEU 80 N -0.63 0.05 0.00 1.46 3.38 -1.36 -3.46 115.31 114.75 3cf5 h LEU 80 Ca -0.05 -0.83 -0.01 0.00 0.09 0.00 0.00 57.88 57.07 3cf5 h LEU 80 Cb 0.52 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.26 3cf5 h LEU 80 CO 0.03 0.88 0.00 0.00 0.09 0.00 0.00 178.44 179.44 3cf5 n GLN 81 N -4.64 -1.10 0.00 1.13 6.02 -0.62 -4.58 117.38 113.59 3cf5 n GLN 81 Ca -0.10 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 3cf5 n GLN 81 Cb 0.44 -0.06 0.00 0.00 1.02 0.00 0.00 30.24 31.64 3cf5 n GLN 81 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3cf5 n ASP 82 N -3.07 0.00 -3.98 1.08 2.03 -1.26 -4.61 116.55 106.73 3cf5 n ASP 82 Ca 0.01 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.02 3cf5 n ASP 82 Cb 0.02 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 40.65 3cf5 n ASP 82 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3cf5 s LEU 83 N 0.00 0.89 0.10 -2.67 1.43 -1.26 -4.84 118.68 112.32 3cf5 s LEU 83 Ca 0.00 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 3cf5 s LEU 83 Cb 0.00 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.68 3cf5 s LEU 83 CO 0.00 -3.92 0.00 -0.62 0.23 0.00 0.00 176.35 172.04 3cf5 n GLU 84 N -4.64 -1.42 -3.99 1.70 -0.58 -1.26 -4.76 120.64 105.69 3cf5 n GLU 84 Ca 0.12 1.07 -0.34 0.00 -0.42 0.00 0.00 57.16 57.59 3cf5 n GLU 84 Cb 0.59 -1.12 -0.15 0.00 -0.57 0.00 0.00 31.44 30.20 3cf5 n GLU 84 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3cf5 s ASP 85 N -1.11 4.14 0.00 1.62 1.01 -1.26 -4.83 116.67 116.24 3cf5 s ASP 85 Ca 0.00 -0.86 0.00 0.00 0.71 0.00 0.00 52.55 52.40 3cf5 s ASP 85 Cb 0.00 -1.63 0.00 0.00 1.01 0.00 0.00 42.92 42.30 3cf5 s ASP 85 CO 0.00 -0.11 0.00 0.41 0.21 0.00 0.00 175.17 175.68 3cf5 n THR 86 N 4.65 0.00 0.53 -1.27 -1.04 -1.26 -4.40 114.28 111.48 3cf5 n THR 86 Ca -0.17 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.88 3cf5 n THR 86 Cb 0.47 0.00 0.25 0.00 -1.82 0.00 0.00 70.33 69.24 3cf5 n THR 86 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3cf5 n THR 87 N -0.07 0.10 0.00 12.58 -2.24 -1.26 -4.86 114.28 118.53 3cf5 n THR 87 Ca 0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3cf5 n THR 87 Cb 0.00 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 3cf5 n THR 87 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3cf5 n PHE 88 N -1.03 0.00 0.00 4.78 0.99 -1.26 -4.89 117.46 116.04 3cf5 n PHE 88 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 3cf5 n PHE 88 Cb 0.03 -0.98 0.00 0.00 -1.00 0.00 0.00 39.48 37.53 3cf5 n PHE 88 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 3cf5 n ASP 89 N -0.74 0.00 0.00 4.37 8.00 -1.26 -3.47 116.55 123.45 3cf5 n ASP 89 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3cf5 n ASP 89 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3cf5 n ASP 89 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3cf5 n ARG 90 N -1.30 0.00 0.00 -1.24 1.74 -1.26 -2.42 116.66 112.17 3cf5 n ARG 90 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3cf5 n ARG 90 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3cf5 n ARG 90 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3cf5 n ASP 91 N 1.69 0.00 0.01 0.55 5.75 -1.26 -4.58 116.55 118.71 3cf5 n ASP 91 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3cf5 n ASP 91 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3cf5 n ASP 91 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3cf5 n THR 92 N 0.00 0.00 0.11 2.12 -1.04 -1.02 -4.81 114.28 109.65 3cf5 n THR 92 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 3cf5 n THR 92 Cb 0.00 -0.44 0.22 0.00 -1.82 0.00 0.00 70.33 68.29 3cf5 n THR 92 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3cf5 n LEU 93 N -2.59 0.21 0.03 -4.42 4.77 -1.16 0.16 117.00 113.99 3cf5 n LEU 93 Ca 0.00 0.45 -0.19 0.00 -0.03 0.00 0.00 56.01 56.23 3cf5 n LEU 93 Cb 0.00 -0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 40.57 3cf5 n LEU 93 CO 0.00 -0.52 0.14 -0.33 -1.33 0.00 0.00 177.39 175.35 3cf5 h GLU 94 N 0.00 0.42 -0.36 3.23 5.08 -1.63 -2.91 114.58 118.41 3cf5 h GLU 94 Ca 0.00 -0.53 0.04 0.00 -1.00 0.00 0.00 59.36 57.86 3cf5 h GLU 94 Cb 0.60 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 3cf5 h GLU 94 CO 0.00 1.19 -0.29 0.00 -1.00 0.00 0.00 179.01 178.92 3cf5 h ALA 95 N 0.25 -0.41 0.00 3.43 0.00 0.12 0.60 119.26 123.24 3cf5 h ALA 95 Ca -0.11 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3cf5 h ALA 95 Cb 1.52 1.06 0.00 0.00 0.00 0.00 0.00 17.79 20.36 3cf5 h ALA 95 CO 0.15 -0.58 0.00 0.66 0.00 0.00 0.00 179.25 179.48 3cf5 n TYR 96 N -4.09 0.81 0.14 0.00 4.02 -1.22 -0.39 117.16 116.42 3cf5 n TYR 96 Ca -0.00 0.37 0.01 0.00 -0.01 0.00 0.00 57.90 58.26 3cf5 n TYR 96 Cb 0.15 -1.09 0.11 0.00 -0.02 0.00 0.00 39.34 38.49 3cf5 n TYR 96 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3cf5 h ARG 97 N 0.00 0.00 0.00 -0.72 3.08 0.30 -3.48 114.38 113.55 3cf5 h ARG 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3cf5 h ARG 97 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3cf5 h ARG 97 CO 0.00 0.60 0.00 -0.11 -1.07 0.00 0.00 179.97 179.39 3cf5 n LEU 98 N -3.43 0.00 -0.60 3.04 7.94 0.48 -5.04 117.00 119.38 3cf5 n LEU 98 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 3cf5 n LEU 98 Cb 0.70 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.62 3cf5 n LEU 98 CO 0.41 0.00 0.20 1.33 -1.11 0.00 0.00 177.39 178.22 3cf5 n VAL 99 N 0.23 0.00 -1.70 1.96 0.24 -1.24 -4.97 118.33 112.86 3cf5 n VAL 99 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 3cf5 n VAL 99 Cb 0.00 0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 32.52 3cf5 n VAL 99 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cf5 s ARG 100 N 0.00 3.33 0.04 7.34 1.70 -1.26 -4.65 118.95 125.45 3cf5 s ARG 100 Ca 0.00 2.01 0.00 0.00 -0.47 0.00 0.00 55.73 57.27 3cf5 s ARG 100 Cb 0.00 -4.30 0.00 0.00 -0.57 0.00 0.00 34.95 30.08 3cf5 s ARG 100 CO 0.00 -1.88 0.00 0.54 -1.08 0.00 0.00 175.30 172.88 3cf5 n ARG 101 N 8.49 0.00 -0.68 3.89 5.12 -1.26 -5.16 116.66 127.06 3cf5 n ARG 101 Ca 0.27 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.28 3cf5 n ARG 101 Cb 0.45 -0.03 -0.02 0.00 -1.16 0.00 0.00 32.46 31.69 3cf5 n ARG 101 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3cf5 n LYS 102 N -2.67 -1.37 0.00 5.56 5.02 -1.26 -4.72 118.16 118.72 3cf5 n LYS 102 Ca 0.00 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 3cf5 n LYS 102 Cb 0.03 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 3cf5 n LYS 102 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3cf5 n ASN 103 N -2.79 0.00 -3.18 4.39 0.23 -1.26 -4.74 115.26 107.92 3cf5 n ASN 103 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.95 3cf5 n ASN 103 Cb 0.31 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 3cf5 n ASN 103 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3cf5 n ARG 104 N -0.21 1.12 0.00 -3.83 1.74 -1.26 -5.11 116.66 109.11 3cf5 n ARG 104 Ca 0.00 -1.41 0.00 0.00 -0.77 0.00 0.00 57.85 55.67 3cf5 n ARG 104 Cb 0.00 0.13 0.00 0.00 -1.02 0.00 0.00 32.46 31.57 3cf5 n ARG 104 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3cf5 n PRO 105 N -1.09 0.00 -3.18 5.56 -0.04 -1.26 -5.00 135.00 129.99 3cf5 n PRO 105 Ca -0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 3cf5 n PRO 105 Cb 0.26 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.70 3cf5 n PRO 105 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3cf5 s VAL 106 N 0.01 -0.29 0.22 0.52 1.01 -1.26 -4.54 120.40 116.07 3cf5 s VAL 106 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3cf5 s VAL 106 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3cf5 s VAL 106 CO 0.00 0.00 0.07 -0.75 0.00 0.00 0.00 175.10 174.42 3cf5 s LYS 107 N 2.83 2.59 -0.02 2.72 2.20 0.92 -1.40 119.74 129.58 3cf5 s LYS 107 Ca -0.02 -1.15 0.06 0.00 -0.36 0.00 0.00 55.97 54.50 3cf5 s LYS 107 Cb -0.09 -2.40 -0.01 0.00 -1.51 0.00 0.00 37.83 33.82 3cf5 s LYS 107 CO -0.11 0.42 -0.21 -1.17 -0.36 0.00 0.00 175.35 173.91 3cf5 s LEU 108 N -3.44 2.03 0.05 5.43 2.96 -0.45 -1.06 118.68 124.21 3cf5 s LEU 108 Ca 0.31 -0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 53.82 3cf5 s LEU 108 Cb -0.08 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 3cf5 s LEU 108 CO 0.21 0.25 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.70 3cf5 s LEU 109 N -0.43 2.43 -0.75 -0.68 1.43 -1.24 -1.93 118.68 117.51 3cf5 s LEU 109 Ca 0.06 -0.88 -0.20 0.00 -1.03 0.00 0.00 54.13 52.08 3cf5 s LEU 109 Cb -0.09 0.10 0.10 0.00 0.03 0.00 0.00 46.19 46.33 3cf5 s LEU 109 CO -0.00 -0.49 0.98 0.00 0.23 0.00 0.00 176.35 177.06 3cf5 s ALA 110 N -3.23 3.27 0.00 4.21 0.00 -1.26 -2.42 121.76 122.33 3cf5 s ALA 110 Ca 0.03 -2.27 0.00 0.00 0.00 0.00 0.00 51.96 49.71 3cf5 s ALA 110 Cb 0.03 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.28 3cf5 s ALA 110 CO -0.07 -2.77 0.00 0.43 0.00 0.00 0.00 175.76 173.35 3cf5 n SER 111 N 6.99 0.00 -4.35 0.00 7.64 -1.26 -4.90 113.62 117.74 3cf5 n SER 111 Ca 0.06 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.62 3cf5 n SER 111 Cb 0.46 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.83 3cf5 n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cf5 n GLY 112 N 3.73 -2.25 3.63 0.23 0.00 -1.26 -4.74 105.19 104.53 3cf5 n GLY 112 Ca 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 3cf5 n GLY 112 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cf5 s GLU 113 N -3.65 0.80 0.00 1.61 2.02 -1.26 -4.32 118.70 113.90 3cf5 s GLU 113 Ca 0.58 1.03 0.00 0.00 0.02 0.00 0.00 54.97 56.60 3cf5 s GLU 113 Cb -0.16 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.42 3cf5 s GLU 113 CO 0.66 -0.11 0.00 1.51 0.02 0.00 0.00 175.26 177.34 3cf5 n ILE 114 N 2.98 0.00 -1.61 -1.63 3.06 -1.26 -4.83 119.36 116.07 3cf5 n ILE 114 Ca -0.15 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.10 3cf5 n ILE 114 Cb 0.56 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.74 3cf5 n ILE 114 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 3cf5 n SER 115 N 0.00 -8.68 0.00 9.51 2.88 -1.26 -4.95 113.62 111.12 3cf5 n SER 115 Ca 0.00 1.38 0.00 0.00 -1.33 0.00 0.00 58.87 58.92 3cf5 n SER 115 Cb 0.00 -4.93 0.00 0.00 -0.75 0.00 0.00 64.21 58.53 3cf5 n SER 115 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3cf5 n ARG 116 N -1.21 -2.62 -3.83 -1.46 0.63 -1.24 -4.90 116.66 102.03 3cf5 n ARG 116 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 3cf5 n ARG 116 Cb 0.09 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.87 3cf5 n ARG 116 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3cf5 s ALA 117 N -2.00 2.94 0.01 5.13 0.00 -1.16 -3.54 121.76 123.13 3cf5 s ALA 117 Ca 0.00 -1.81 -0.05 0.00 0.00 0.00 0.00 51.96 50.10 3cf5 s ALA 117 Cb 0.00 -2.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 3cf5 s ALA 117 CO 0.00 -1.34 0.08 0.14 0.00 0.00 0.00 175.76 174.64 3cf5 s VAL 118 N 1.31 0.09 -0.25 0.00 -7.23 -0.67 -4.71 120.40 108.94 3cf5 s VAL 118 Ca -0.03 -0.76 -0.05 0.00 -1.81 0.00 0.00 61.98 59.33 3cf5 s VAL 118 Cb -0.20 -0.37 -0.01 0.00 0.56 0.00 0.00 36.38 36.37 3cf5 s VAL 118 CO 0.00 -0.42 0.02 -0.89 -0.31 0.00 0.00 175.10 173.50 3cf5 s THR 119 N -1.39 3.72 -0.07 5.32 2.01 -1.26 -2.70 115.64 121.26 3cf5 s THR 119 Ca -0.15 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 61.23 3cf5 s THR 119 Cb -0.08 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 3cf5 s THR 119 CO 0.01 0.29 0.27 -0.69 -0.69 0.00 0.00 174.62 173.81 3cf5 s VAL 120 N 1.51 5.28 -0.31 3.82 1.01 0.26 -4.58 120.40 127.39 3cf5 s VAL 120 Ca 0.05 0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.62 3cf5 s VAL 120 Cb -0.15 -3.56 0.52 0.00 0.00 0.00 0.00 36.38 33.19 3cf5 s VAL 120 CO -0.00 0.58 1.50 1.41 0.00 0.00 0.00 175.10 178.60 3cf5 n HIS 121 N 2.04 1.25 -1.41 5.22 8.25 -1.26 0.30 115.22 129.61 3cf5 n HIS 121 Ca -0.17 -1.63 -0.38 0.00 -0.26 0.00 0.00 57.72 55.28 3cf5 n HIS 121 Cb 0.54 -0.53 0.03 0.00 1.12 0.00 0.00 29.99 31.14 3cf5 n HIS 121 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3cf5 n VAL 122 N -1.12 1.71 0.46 1.59 0.24 -1.24 -4.81 118.33 115.16 3cf5 n VAL 122 Ca 0.35 -0.50 0.13 0.00 -2.04 0.00 0.00 64.34 62.28 3cf5 n VAL 122 Cb 1.09 -0.51 0.47 0.00 -1.47 0.00 0.00 33.84 33.41 3cf5 n VAL 122 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 3cf5 h ASP 123 N 0.18 0.00 -4.04 -1.34 1.82 -1.63 -3.37 116.42 108.04 3cf5 h ASP 123 Ca -0.44 0.00 0.18 0.00 -0.39 0.00 0.00 57.03 56.38 3cf5 h ASP 123 Cb 1.41 0.00 -0.21 0.00 0.68 0.00 0.00 39.33 41.21 3cf5 h ASP 123 CO 0.46 0.00 0.72 0.00 -1.61 0.00 0.00 179.24 178.81 3cf5 s ALA 124 N -3.27 -2.01 0.13 -0.78 0.00 -0.50 -4.37 121.76 110.97 3cf5 s ALA 124 Ca 0.06 1.57 -0.02 0.00 0.00 0.00 0.00 51.96 53.57 3cf5 s ALA 124 Cb 0.10 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3cf5 s ALA 124 CO 0.48 -0.46 0.22 0.00 0.00 0.00 0.00 175.76 176.00 3cf5 n ALA 125 N 0.23 -0.31 -2.45 0.00 0.00 -1.26 -1.34 120.51 115.38 3cf5 n ALA 125 Ca -0.04 -0.54 -0.27 0.00 0.00 0.00 0.00 53.44 52.58 3cf5 n ALA 125 Cb 0.59 0.44 -0.01 0.00 0.00 0.00 0.00 19.45 20.46 3cf5 n ALA 125 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3cf5 s SER 126 N -1.78 4.56 0.00 0.00 1.04 -0.82 -4.79 113.70 111.92 3cf5 s SER 126 Ca 0.09 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.19 3cf5 s SER 126 Cb -0.01 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3cf5 s SER 126 CO 0.06 -1.12 0.00 0.00 0.98 0.00 0.00 173.24 173.16 3cf5 n ALA 127 N -1.73 0.00 0.00 5.32 0.00 -1.26 -0.85 120.51 121.99 3cf5 n ALA 127 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3cf5 n ALA 127 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 3cf5 n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 n ALA 128 N -3.00 0.41 -0.25 0.00 0.00 -1.26 -0.13 120.51 116.27 3cf5 n ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3cf5 n ALA 128 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3cf5 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 n ALA 129 N -0.91 -0.15 0.08 0.00 0.00 -0.88 -3.49 120.51 115.16 3cf5 n ALA 129 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3cf5 n ALA 129 Cb 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 3cf5 n ALA 129 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3cf5 h ILE 130 N 0.00 0.10 0.00 0.00 2.04 0.15 -2.29 117.51 117.51 3cf5 h ILE 130 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3cf5 h ILE 130 Cb 0.00 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 3cf5 h ILE 130 CO 0.00 0.00 0.24 0.29 0.00 0.00 0.00 178.15 178.68 3cf5 n LYS 131 N -5.46 0.00 0.00 2.37 5.02 -0.17 0.19 118.16 120.10 3cf5 n LYS 131 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3cf5 n LYS 131 Cb 0.39 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 3cf5 n LYS 131 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cf5 n ALA 132 N 2.33 0.00 -0.21 7.82 0.00 -0.87 -4.71 120.51 124.86 3cf5 n ALA 132 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3cf5 n ALA 132 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3cf5 n ALA 132 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cf5 n VAL 133 N 0.00 0.00 -0.20 0.00 0.31 0.13 -3.79 118.33 114.78 3cf5 n VAL 133 Ca 0.00 0.41 0.01 0.00 -0.01 0.00 0.00 64.34 64.75 3cf5 n VAL 133 Cb 0.00 -1.20 0.11 0.00 -0.91 0.00 0.00 33.84 31.84 3cf5 n VAL 133 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3cf5 h GLU 134 N 0.00 0.32 0.00 5.55 5.08 -1.71 0.35 114.58 124.16 3cf5 h GLU 134 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3cf5 h GLU 134 Cb 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3cf5 h GLU 134 CO 0.00 0.21 0.00 0.00 -1.00 0.00 0.00 179.01 178.22 3cf5 n ALA 135 N -2.53 1.34 -1.16 3.43 0.00 -1.26 0.11 120.51 120.44 3cf5 n ALA 135 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3cf5 n ALA 135 Cb 0.31 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3cf5 n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 n ALA 136 N -0.59 0.00 0.00 0.00 0.00 0.91 -4.96 120.51 115.87 3cf5 n ALA 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3cf5 n ALA 136 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3cf5 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 137 N 0.00 2.92 0.00 0.00 0.00 0.31 -2.99 105.19 105.43 3cf5 n GLY 137 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3cf5 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 138 N 1.24 0.66 3.46 -0.02 0.00 -1.25 -1.67 105.19 107.60 3cf5 n GLY 138 Ca 0.00 -2.09 0.01 0.00 0.00 0.00 0.00 46.02 43.94 3cf5 n GLY 138 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cf5 s ARG 139 N -0.74 0.24 0.18 1.61 3.52 -1.10 -4.39 118.95 118.27 3cf5 s ARG 139 Ca 0.00 0.51 -0.16 0.00 -0.13 0.00 0.00 55.73 55.95 3cf5 s ARG 139 Cb 0.00 0.22 -0.07 0.00 -1.56 0.00 0.00 34.95 33.53 3cf5 s ARG 139 CO 0.00 -0.07 0.61 0.08 -0.81 0.00 0.00 175.30 175.11 3cf5 s VAL 140 N 1.90 4.77 -0.03 7.11 1.01 -1.26 -0.57 120.40 133.33 3cf5 s VAL 140 Ca -0.04 0.94 0.04 0.00 0.00 0.00 0.00 61.98 62.92 3cf5 s VAL 140 Cb -0.04 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 3cf5 s VAL 140 CO -0.16 0.20 -0.14 -0.69 0.00 0.00 0.00 175.10 174.31 3cf5 s VAL 141 N -1.52 1.13 -0.03 2.92 1.01 0.15 -4.92 120.40 119.13 3cf5 s VAL 141 Ca 0.40 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.85 3cf5 s VAL 141 Cb -0.15 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 3cf5 s VAL 141 CO 0.20 0.33 -0.14 -0.76 0.00 0.00 0.00 175.10 174.72 3cf5 s LEU 142 N -0.06 1.92 0.39 3.92 1.43 -1.26 -3.59 118.68 121.43 3cf5 s LEU 142 Ca 0.00 -0.28 -0.24 0.00 -1.03 0.00 0.00 54.13 52.58 3cf5 s LEU 142 Cb -0.08 -0.80 -0.13 0.00 0.03 0.00 0.00 46.19 45.21 3cf5 s LEU 142 CO 0.01 0.14 0.71 -2.65 0.23 0.00 0.00 176.35 174.79 3cf5 n PRO 143 N 3.02 0.81 0.00 1.29 -0.02 -1.26 -5.10 135.00 133.74 3cf5 n PRO 143 Ca -0.17 0.29 0.11 0.00 -2.02 0.00 0.00 63.50 61.71 3cf5 n PRO 143 Cb 0.54 -1.63 0.67 0.00 -0.02 0.00 0.00 33.50 33.05 3cf5 n PRO 143 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87