#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6g s SER 2 N 0.00 -0.23 -0.21 1.61 0.15 -1.26 -5.15 113.70 108.62 1x6g s SER 2 Ca 0.00 0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.93 1x6g s SER 2 Cb 0.00 0.43 0.06 0.00 -1.71 0.00 0.00 66.02 64.80 1x6g s SER 2 CO 0.00 -0.09 0.53 -0.55 1.20 0.00 0.00 173.24 174.34 1x6g s SER 3 N 0.25 -0.62 -0.76 5.45 0.15 -1.26 -5.11 113.70 111.80 1x6g s SER 3 Ca -0.01 1.11 -0.19 0.00 0.70 0.00 0.00 55.95 57.56 1x6g s SER 3 Cb -0.03 1.06 0.12 0.00 -1.71 0.00 0.00 66.02 65.47 1x6g s SER 3 CO -0.01 -0.20 0.93 -0.83 1.20 0.00 0.00 173.24 174.34 1x6g s GLY 4 N 0.85 1.85 0.09 9.45 0.00 -1.26 -4.72 107.32 113.58 1x6g s GLY 4 Ca -0.05 -2.48 0.00 0.00 0.00 0.00 0.00 44.72 42.19 1x6g s GLY 4 CO -0.07 1.81 0.00 1.44 0.00 0.00 0.00 173.10 176.29 1x6g n SER 5 N 6.44 0.98 -1.63 1.64 7.64 -1.26 -5.14 113.62 122.29 1x6g n SER 5 Ca 0.07 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1x6g n SER 5 Cb 0.46 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1x6g n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x6g n SER 6 N -3.45 -7.23 0.00 6.43 2.88 -1.26 -5.08 113.62 105.91 1x6g n SER 6 Ca 0.00 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1x6g n SER 6 Cb 0.05 -3.97 0.00 0.00 -0.75 0.00 0.00 64.21 59.54 1x6g n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6g n GLY 7 N 1.29 3.82 3.58 0.46 0.00 -1.26 -5.00 105.19 108.08 1x6g n GLY 7 Ca 0.00 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1x6g n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6g n ARG 8 N 0.13 1.64 -3.95 1.61 1.74 -1.26 -4.95 116.66 111.63 1x6g n ARG 8 Ca 0.00 0.35 -0.24 0.00 -0.77 0.00 0.00 57.85 57.19 1x6g n ARG 8 Cb 0.00 -3.32 -0.03 0.00 -1.02 0.00 0.00 32.46 28.10 1x6g n ARG 8 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1x6g s MET 9 N 7.04 3.44 0.11 5.56 -1.94 -1.26 -5.07 119.30 127.18 1x6g s MET 9 Ca 1.00 -0.67 -0.30 0.00 -1.71 0.00 0.00 55.69 54.01 1x6g s MET 9 Cb -0.28 -2.93 -0.06 0.00 2.01 0.00 0.00 34.83 33.57 1x6g s MET 9 CO 0.32 0.48 1.14 -1.25 -0.01 0.00 0.00 175.02 175.70 1x6g s PRO 10 N -3.58 4.51 0.04 2.03 0.04 -1.26 -4.97 135.00 131.80 1x6g s PRO 10 Ca 0.34 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 62.93 1x6g s PRO 10 Cb -0.10 -3.32 -0.09 0.00 0.04 0.00 0.00 34.50 31.03 1x6g s PRO 10 CO 0.29 -0.10 1.28 1.15 0.04 0.00 0.00 177.00 179.66 1x6g h THR 11 N 4.16 0.00 0.00 1.26 2.02 -1.97 -3.45 112.91 114.92 1x6g h THR 11 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1x6g h THR 11 Cb 1.21 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1x6g h THR 11 CO 0.77 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 175.52 1x6g n ARG 12 N -3.89 0.00 -1.53 6.66 3.00 -1.26 -5.12 116.66 114.52 1x6g n ARG 12 Ca -0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.49 1x6g n ARG 12 Cb 0.25 0.00 0.16 0.00 0.00 0.00 0.00 32.46 32.87 1x6g n ARG 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1x6g s ARG 13 N -2.00 0.66 0.84 -0.14 1.81 -1.26 -5.03 118.95 113.83 1x6g s ARG 13 Ca 0.00 0.11 -0.11 0.00 -1.72 0.00 0.00 55.73 54.01 1x6g s ARG 13 Cb 0.00 -1.80 0.10 0.00 -0.45 0.00 0.00 34.95 32.80 1x6g s ARG 13 CO 0.00 -2.49 1.10 -1.58 -0.68 0.00 0.00 175.30 171.65 1x6g s TRP 14 N -3.34 2.60 0.43 -0.53 0.51 -1.26 -4.84 118.94 112.52 1x6g s TRP 14 Ca 0.67 1.19 0.07 0.00 -2.12 0.00 0.00 56.10 55.91 1x6g s TRP 14 Cb -0.12 -3.14 -0.04 0.00 -0.81 0.00 0.00 33.47 29.35 1x6g s TRP 14 CO 0.54 -2.05 0.20 0.00 -0.51 0.00 0.00 176.95 175.14 1x6g s ALA 15 N -3.06 3.71 -0.09 0.98 0.00 -1.26 -4.99 121.76 117.05 1x6g s ALA 15 Ca 0.62 -1.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.33 1x6g s ALA 15 Cb -0.16 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1x6g s ALA 15 CO 0.55 -0.19 1.24 -1.25 0.00 0.00 0.00 175.76 176.11 1x6g s PRO 16 N -3.95 4.31 0.00 0.00 0.04 -1.26 -2.88 135.00 131.26 1x6g s PRO 16 Ca 0.39 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1x6g s PRO 16 Cb 0.03 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.94 1x6g s PRO 16 CO 0.22 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1x6g n GLY 17 N 3.47 0.91 3.83 0.56 0.00 0.41 -4.91 105.19 109.47 1x6g n GLY 17 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1x6g n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x6g s THR 18 N -2.00 4.84 -0.30 2.61 2.01 -1.14 -4.66 115.64 117.00 1x6g s THR 18 Ca 0.00 0.92 -0.22 0.00 0.31 0.00 0.00 61.69 62.71 1x6g s THR 18 Cb 0.00 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 1x6g s THR 18 CO 0.00 0.35 0.70 -1.10 -0.69 0.00 0.00 174.62 173.89 1x6g s GLN 19 N -1.66 3.95 0.27 4.92 -0.21 -1.26 -1.04 119.66 124.62 1x6g s GLN 19 Ca 0.34 0.46 0.09 0.00 0.02 0.00 0.00 55.36 56.27 1x6g s GLN 19 Cb -0.16 -3.72 -0.04 0.00 1.00 0.00 0.00 33.01 30.09 1x6g s GLN 19 CO 0.19 -0.60 0.07 0.00 -2.12 0.00 0.00 175.29 172.82 1x6g s ILE 21 N -2.27 1.81 0.32 0.00 -1.09 0.27 -2.10 121.20 118.14 1x6g s ILE 21 Ca 0.32 -1.41 -0.27 0.00 -2.23 0.00 0.00 60.65 57.07 1x6g s ILE 21 Cb -0.07 -1.60 -0.10 0.00 -1.58 0.00 0.00 42.46 39.12 1x6g s ILE 21 CO 0.22 0.12 0.98 0.42 -1.23 0.00 0.00 174.94 175.44 1x6g s THR 22 N -0.96 4.04 0.00 2.92 -4.23 -1.19 0.51 115.64 116.73 1x6g s THR 22 Ca 0.08 1.75 0.11 0.00 -1.18 0.00 0.00 61.69 62.45 1x6g s THR 22 Cb -0.09 -4.00 -0.19 0.00 1.34 0.00 0.00 72.50 69.56 1x6g s THR 22 CO 0.03 0.19 0.98 0.11 -0.54 0.00 0.00 174.62 175.39 1x6g h LYS 23 N 3.26 0.00 -4.69 3.99 1.57 -1.78 -3.18 116.57 115.75 1x6g h LYS 23 Ca -0.47 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 57.99 1x6g h LYS 23 Cb 1.20 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.37 1x6g h LYS 23 CO 0.65 0.66 -0.57 0.00 -0.57 0.00 0.00 179.45 179.63 1x6g s GLU 25 N -3.90 3.65 -0.25 0.00 -1.05 -1.26 -3.85 118.70 112.03 1x6g s GLU 25 Ca 0.39 0.06 -0.00 0.00 -0.15 0.00 0.00 54.97 55.27 1x6g s GLU 25 Cb 0.05 -3.13 0.07 0.00 -0.44 0.00 0.00 34.13 30.69 1x6g s GLU 25 CO 0.17 0.68 0.02 -1.58 0.95 0.00 0.00 175.26 175.50 1x6g s HIS 26 N -1.20 1.92 -0.10 4.83 2.46 0.50 -4.86 115.29 118.84 1x6g s HIS 26 Ca 0.25 -1.59 0.12 0.00 0.47 0.00 0.00 55.06 54.31 1x6g s HIS 26 Cb -0.14 -1.56 -0.24 0.00 -0.13 0.00 0.00 32.58 30.52 1x6g s HIS 26 CO 0.13 -0.77 0.44 0.25 -2.47 0.00 0.00 174.74 172.32 1x6g n THR 27 N 4.80 1.56 -3.73 0.89 -2.24 -1.25 -0.02 114.28 114.29 1x6g n THR 27 Ca -0.07 -0.79 -0.30 0.00 -2.27 0.00 0.00 64.05 60.62 1x6g n THR 27 Cb 0.44 -0.95 -0.13 0.00 -2.10 0.00 0.00 70.33 67.59 1x6g n THR 27 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x6g s ARG 28 N -2.56 1.21 1.05 -0.78 0.52 -1.26 -4.88 118.95 112.25 1x6g s ARG 28 Ca -0.09 -1.87 -0.17 0.00 -0.52 0.00 0.00 55.73 53.09 1x6g s ARG 28 Cb 0.07 -2.32 0.23 0.00 0.52 0.00 0.00 34.95 33.45 1x6g s ARG 28 CO 0.81 -1.13 1.21 -1.25 0.02 0.00 0.00 175.30 174.96 1x6g s PRO 29 N 0.56 -0.05 1.27 3.54 0.04 -1.26 -5.04 135.00 134.06 1x6g s PRO 29 Ca 0.16 -0.16 -0.19 0.00 0.04 0.00 0.00 61.00 60.85 1x6g s PRO 29 Cb -0.23 -1.74 0.31 0.00 0.04 0.00 0.00 34.50 32.88 1x6g s PRO 29 CO -0.03 -2.91 1.01 0.15 0.04 0.00 0.00 177.00 175.26 1x6g s LYS 30 N -5.60 -1.78 -0.87 4.56 1.02 -1.26 -4.84 119.74 110.97 1x6g s LYS 30 Ca 0.71 0.26 -0.25 0.00 0.02 0.00 0.00 55.97 56.71 1x6g s LYS 30 Cb -0.08 -1.50 0.00 0.00 -0.52 0.00 0.00 37.83 35.73 1x6g s LYS 30 CO 0.54 -4.15 1.65 -1.25 -0.92 0.00 0.00 175.35 171.22 1x6g s PRO 31 N -5.01 3.03 0.00 -1.68 0.04 -1.26 -2.25 135.00 127.87 1x6g s PRO 31 Ca 0.69 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1x6g s PRO 31 Cb -0.15 -4.90 0.00 0.00 0.04 0.00 0.00 34.50 29.48 1x6g s PRO 31 CO 0.59 -2.66 0.00 0.41 0.04 0.00 0.00 177.00 175.38 1x6g n GLY 32 N 6.43 1.71 3.76 0.56 0.00 -1.26 -5.13 105.19 111.26 1x6g n GLY 32 Ca 0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 1x6g n GLY 32 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x6g s GLU 33 N -0.08 2.17 0.17 1.61 2.02 -0.95 -4.69 118.70 118.95 1x6g s GLU 33 Ca 0.00 -2.18 0.04 0.00 0.02 0.00 0.00 54.97 52.85 1x6g s GLU 33 Cb 0.00 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.46 1x6g s GLU 33 CO 0.00 -0.31 0.22 -1.17 0.02 0.00 0.00 175.26 174.02 1x6g s LEU 34 N -3.93 4.08 0.33 1.80 2.96 -1.26 -4.80 118.68 117.86 1x6g s LEU 34 Ca 0.22 0.01 0.08 0.00 -0.22 0.00 0.00 54.13 54.22 1x6g s LEU 34 Cb 0.03 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 1x6g s LEU 34 CO 0.12 0.04 0.27 0.00 -1.32 0.00 0.00 176.35 175.46 1x6g s ALA 35 N -1.79 3.78 -0.02 5.97 0.00 -1.26 -4.59 121.76 123.85 1x6g s ALA 35 Ca 0.33 -1.66 -0.30 0.00 0.00 0.00 0.00 51.96 50.33 1x6g s ALA 35 Cb -0.10 -1.13 0.12 0.00 0.00 0.00 0.00 23.12 22.01 1x6g s ALA 35 CO 0.26 0.03 1.27 -0.59 0.00 0.00 0.00 175.76 176.73 1x6g s PHE 36 N -2.31 -0.05 0.53 0.00 -0.12 0.97 -5.01 117.98 112.00 1x6g s PHE 36 Ca 0.40 -0.06 0.06 0.00 -0.05 0.00 0.00 56.93 57.29 1x6g s PHE 36 Cb -0.06 0.55 0.04 0.00 -0.63 0.00 0.00 43.02 42.92 1x6g s PHE 36 CO 0.26 -0.29 0.46 1.03 -0.05 0.00 0.00 175.22 176.63 1x6g s ARG 37 N -2.45 2.30 -0.38 1.99 1.81 -1.26 0.19 118.95 121.15 1x6g s ARG 37 Ca 0.14 -1.90 -0.29 0.00 -1.72 0.00 0.00 55.73 51.96 1x6g s ARG 37 Cb 0.04 -2.22 0.02 0.00 -0.45 0.00 0.00 34.95 32.34 1x6g s ARG 37 CO -0.04 -0.60 1.21 0.21 -0.68 0.00 0.00 175.30 175.41 1x6g s LYS 38 N -4.32 3.84 0.00 3.54 2.20 -1.25 -3.53 119.74 120.22 1x6g s LYS 38 Ca 0.40 0.95 0.00 0.00 -0.36 0.00 0.00 55.97 56.97 1x6g s LYS 38 Cb -0.03 -3.88 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 1x6g s LYS 38 CO 0.25 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.43 1x6g n GLY 39 N 4.48 0.52 3.68 5.54 0.00 -1.20 -4.94 105.19 113.27 1x6g n GLY 39 Ca 0.14 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1x6g n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x6g s ASP 40 N -1.44 5.21 -0.13 1.61 1.11 -1.23 -4.87 116.67 116.93 1x6g s ASP 40 Ca 0.00 0.13 -0.18 0.00 0.18 0.00 0.00 52.55 52.69 1x6g s ASP 40 Cb 0.00 -1.45 -0.04 0.00 1.07 0.00 0.00 42.92 42.49 1x6g s ASP 40 CO 0.00 0.38 0.45 -0.69 1.18 0.00 0.00 175.17 176.49 1x6g s VAL 41 N -0.89 5.20 0.01 -1.27 1.01 -1.26 -3.19 120.40 120.02 1x6g s VAL 41 Ca 0.13 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1x6g s VAL 41 Cb -0.11 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1x6g s VAL 41 CO 0.02 0.33 -0.02 0.68 0.00 0.00 0.00 175.10 176.12 1x6g s VAL 42 N 0.65 0.07 -0.20 2.92 -7.23 -0.89 -2.88 120.40 112.84 1x6g s VAL 42 Ca 0.24 -0.46 -0.10 0.00 -1.81 0.00 0.00 61.98 59.85 1x6g s VAL 42 Cb -0.15 -0.14 -0.05 0.00 0.56 0.00 0.00 36.38 36.60 1x6g s VAL 42 CO 0.09 -0.25 0.15 -0.89 -0.31 0.00 0.00 175.10 173.89 1x6g s THR 43 N -0.74 5.40 -0.64 5.32 2.01 -1.13 -0.83 115.64 125.03 1x6g s THR 43 Ca -0.08 0.22 -0.26 0.00 0.31 0.00 0.00 61.69 61.88 1x6g s THR 43 Cb -0.05 -3.49 -0.06 0.00 0.01 0.00 0.00 72.50 68.92 1x6g s THR 43 CO -0.00 0.43 2.14 -0.63 -0.69 0.00 0.00 174.62 175.86 1x6g s ILE 44 N 0.41 3.20 0.00 1.82 -1.09 -0.21 -1.63 121.20 123.70 1x6g s ILE 44 Ca 0.09 0.02 -0.24 0.00 -2.23 0.00 0.00 60.65 58.28 1x6g s ILE 44 Cb -0.11 -3.51 -0.14 0.00 -1.58 0.00 0.00 42.46 37.11 1x6g s ILE 44 CO -0.01 -0.49 1.07 -0.07 -1.23 0.00 0.00 174.94 174.20 1x6g h LEU 45 N 18.61 -0.62 -7.22 2.97 3.38 -0.97 1.20 115.31 132.66 1x6g h LEU 45 Ca -0.16 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.59 1x6g h LEU 45 Cb 1.15 0.16 -0.31 0.00 0.09 0.00 0.00 40.66 41.76 1x6g h LEU 45 CO 1.17 -0.24 -0.47 -0.70 0.09 0.00 0.00 178.44 178.29 1x6g s GLU 46 N -4.45 0.21 0.24 1.13 2.12 -0.98 -4.70 118.70 112.28 1x6g s GLU 46 Ca -0.13 0.76 -0.03 0.00 0.36 0.00 0.00 54.97 55.93 1x6g s GLU 46 Cb 0.02 0.01 -0.05 0.00 0.26 0.00 0.00 34.13 34.37 1x6g s GLU 46 CO 0.43 -0.24 0.47 0.00 -0.54 0.00 0.00 175.26 175.37 1x6g s ALA 47 N 2.12 3.73 0.00 6.30 0.00 -1.26 -2.94 121.76 129.71 1x6g s ALA 47 Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1x6g s ALA 47 Cb -0.11 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.87 1x6g s ALA 47 CO -0.10 0.35 0.00 0.00 0.00 0.00 0.00 175.76 176.01 1x6g s GLU 49 N -1.30 0.31 -0.17 0.00 2.12 -1.26 -5.07 118.70 113.32 1x6g s GLU 49 Ca 0.00 0.71 -0.10 0.00 0.36 0.00 0.00 54.97 55.94 1x6g s GLU 49 Cb 0.00 0.37 0.04 0.00 0.26 0.00 0.00 34.13 34.80 1x6g s GLU 49 CO 0.00 -0.10 0.21 0.09 -0.54 0.00 0.00 175.26 174.92 1x6g n ASN 50 N 4.71 -0.89 -4.31 -1.70 4.13 -1.26 -3.84 115.26 112.09 1x6g n ASN 50 Ca -0.11 1.16 -0.56 0.00 1.68 0.00 0.00 54.58 56.75 1x6g n ASN 50 Cb 0.54 -4.67 -0.13 0.00 -1.54 0.00 0.00 39.78 33.98 1x6g n ASN 50 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1x6g n LYS 51 N 1.41 0.01 -1.40 3.52 4.76 -1.26 -0.12 118.16 125.09 1x6g n LYS 51 Ca -0.35 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.09 1x6g n LYS 51 Cb 0.54 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 1x6g n LYS 51 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x6g n SER 52 N 8.22 -1.45 -3.55 4.39 2.88 -1.26 -5.03 113.62 117.82 1x6g n SER 52 Ca 0.57 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.96 1x6g n SER 52 Cb -0.02 -0.36 -0.06 0.00 -0.75 0.00 0.00 64.21 63.02 1x6g n SER 52 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1x6g s TRP 53 N -2.50 -0.55 -0.00 0.66 0.52 0.84 -3.24 118.94 114.67 1x6g s TRP 53 Ca 0.00 0.95 0.00 0.00 0.02 0.00 0.00 56.10 57.07 1x6g s TRP 53 Cb 0.00 0.42 0.00 0.00 -1.15 0.00 0.00 33.47 32.74 1x6g s TRP 53 CO 0.00 -0.50 -0.01 0.71 0.02 0.00 0.00 176.95 177.18 1x6g s TYR 54 N -1.11 0.06 -0.41 -1.98 1.51 0.29 -4.16 117.35 111.54 1x6g s TYR 54 Ca -0.07 -0.01 -0.20 0.00 -1.01 0.00 0.00 57.07 55.79 1x6g s TYR 54 Cb -0.00 -0.04 0.02 0.00 -0.11 0.00 0.00 41.96 41.82 1x6g s TYR 54 CO 0.06 -0.00 0.58 0.50 -1.11 0.00 0.00 175.55 175.58 1x6g s ARG 55 N 0.01 3.35 0.41 -0.62 3.52 -1.15 0.46 118.95 124.93 1x6g s ARG 55 Ca -0.00 -0.36 0.03 0.00 -0.13 0.00 0.00 55.73 55.27 1x6g s ARG 55 Cb -0.01 -3.91 -0.04 0.00 -1.56 0.00 0.00 34.95 29.43 1x6g s ARG 55 CO -0.00 -0.89 0.08 0.14 -0.81 0.00 0.00 175.30 173.82 1x6g s VAL 56 N 2.61 0.97 -0.15 7.11 -7.23 -1.19 -0.30 120.40 122.21 1x6g s VAL 56 Ca 0.20 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.39 1x6g s VAL 56 Cb -0.15 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.34 1x6g s VAL 56 CO 0.17 0.00 -0.21 -0.75 -0.31 0.00 0.00 175.10 174.00 1x6g s LYS 57 N -3.79 2.94 -0.06 4.82 2.20 -0.64 -3.29 119.74 121.91 1x6g s LYS 57 Ca 0.24 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 1x6g s LYS 57 Cb 0.04 -2.43 -0.04 0.00 -1.51 0.00 0.00 37.83 33.89 1x6g s LYS 57 CO 0.13 -0.09 1.39 -1.58 -0.36 0.00 0.00 175.35 174.83 1x6g s HIS 58 N 1.00 2.73 0.00 4.03 5.65 -0.07 -2.84 115.29 125.79 1x6g s HIS 58 Ca -0.03 0.80 0.00 0.00 0.25 0.00 0.00 55.06 56.08 1x6g s HIS 58 Cb -0.15 -3.64 0.00 0.00 -1.18 0.00 0.00 32.58 27.62 1x6g s HIS 58 CO -0.06 -2.37 0.69 1.58 -0.65 0.00 0.00 174.74 173.94 1x6g n HIS 59 N 6.01 0.00 -0.11 3.88 -0.00 -1.14 0.18 115.22 124.05 1x6g n HIS 59 Ca 0.14 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.24 1x6g n HIS 59 Cb 0.44 -0.26 -0.06 0.00 -0.12 0.00 0.00 29.99 29.99 1x6g n HIS 59 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 1x6g h THR 60 N 0.00 0.00 0.33 3.57 2.02 -1.93 -2.62 112.91 114.28 1x6g h THR 60 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1x6g h THR 60 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 1x6g h THR 60 CO 0.00 0.00 -0.37 0.28 0.37 0.00 0.00 175.52 175.80 1x6g h SER 61 N -0.20 -1.04 0.00 4.18 0.02 -1.97 -3.47 113.55 111.07 1x6g h SER 61 Ca 0.05 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1x6g h SER 61 Cb 0.34 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1x6g h SER 61 CO -0.40 -0.48 0.00 0.61 -1.14 0.00 0.00 176.83 175.42 1x6g n GLY 62 N -1.40 0.93 3.58 -3.77 0.00 0.49 -5.03 105.19 99.98 1x6g n GLY 62 Ca -0.08 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1x6g n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x6g n GLN 63 N -2.12 0.69 -3.75 1.61 6.02 -1.21 -4.84 117.38 113.78 1x6g n GLN 63 Ca 0.00 -3.08 -0.26 0.00 -0.01 0.00 0.00 57.00 53.65 1x6g n GLN 63 Cb 0.00 0.11 -0.17 0.00 1.02 0.00 0.00 30.24 31.20 1x6g n GLN 63 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1x6g s GLU 64 N -4.24 0.64 0.33 -1.09 2.02 -1.26 -0.89 118.70 114.20 1x6g s GLU 64 Ca 0.40 -0.18 0.06 0.00 0.02 0.00 0.00 54.97 55.27 1x6g s GLU 64 Cb -0.03 -1.60 -0.03 0.00 0.10 0.00 0.00 34.13 32.56 1x6g s GLU 64 CO 0.26 -0.49 0.25 0.20 0.02 0.00 0.00 175.26 175.49 1x6g s GLY 65 N 1.91 2.28 0.03 -1.39 0.00 -1.21 -4.93 107.32 104.01 1x6g s GLY 65 Ca 0.02 -1.94 -0.23 0.00 0.00 0.00 0.00 44.72 42.57 1x6g s GLY 65 CO -0.07 -1.51 0.69 1.08 0.00 0.00 0.00 173.10 173.29 1x6g s LEU 66 N -3.38 4.44 0.03 0.66 1.43 -1.26 -3.18 118.68 117.42 1x6g s LEU 66 Ca 0.39 1.33 0.08 0.00 -1.03 0.00 0.00 54.13 54.89 1x6g s LEU 66 Cb 0.03 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 1x6g s LEU 66 CO 0.25 0.06 -0.22 -0.22 0.23 0.00 0.00 176.35 176.45 1x6g s LEU 67 N -0.15 2.40 0.04 1.79 0.20 0.17 -3.97 118.68 119.16 1x6g s LEU 67 Ca 0.35 -0.48 -0.30 0.00 0.69 0.00 0.00 54.13 54.39 1x6g s LEU 67 Cb -0.20 -1.42 -0.07 0.00 -0.43 0.00 0.00 46.19 44.08 1x6g s LEU 67 CO 0.21 0.27 1.54 0.00 -0.29 0.00 0.00 176.35 178.07 1x6g s ALA 68 N -0.84 3.64 0.39 5.97 0.00 -1.26 0.10 121.76 129.76 1x6g s ALA 68 Ca 0.13 1.06 0.08 0.00 0.00 0.00 0.00 51.96 53.23 1x6g s ALA 68 Cb -0.10 -3.65 0.84 0.00 0.00 0.00 0.00 23.12 20.20 1x6g s ALA 68 CO 0.03 -1.02 1.99 0.00 0.00 0.00 0.00 175.76 176.76 1x6g h ALA 69 N 8.09 1.78 -0.56 0.00 0.00 -1.83 -0.58 119.26 126.16 1x6g h ALA 69 Ca -0.40 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 54.11 1x6g h ALA 69 Cb 1.19 -0.16 -0.16 0.00 0.00 0.00 0.00 17.79 18.65 1x6g h ALA 69 CO 0.92 0.12 0.48 0.41 0.00 0.00 0.00 179.25 181.18 1x6g n GLY 70 N -1.47 4.26 0.68 0.00 0.00 -1.26 -3.56 105.19 103.84 1x6g n GLY 70 Ca 0.09 -1.20 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 1x6g n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6g n ALA 71 N 0.05 2.28 -2.56 4.61 0.00 -0.22 -4.99 120.51 119.68 1x6g n ALA 71 Ca 0.35 -0.69 -0.19 0.00 0.00 0.00 0.00 53.44 52.92 1x6g n ALA 71 Cb 0.67 -0.29 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 1x6g n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x6g s LEU 72 N 0.00 2.36 0.24 0.00 1.43 -1.23 -2.24 118.68 119.24 1x6g s LEU 72 Ca 0.04 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.34 1x6g s LEU 72 Cb 0.04 -0.57 -0.02 0.00 0.03 0.00 0.00 46.19 45.68 1x6g s LEU 72 CO -0.02 -0.11 0.31 0.00 0.23 0.00 0.00 176.35 176.76 1x6g s ARG 73 N -2.34 1.44 -0.48 1.70 1.04 0.18 -4.85 118.95 115.64 1x6g s ARG 73 Ca 0.06 -1.52 -0.22 0.00 -1.04 0.00 0.00 55.73 53.00 1x6g s ARG 73 Cb -0.07 0.37 0.03 0.00 -2.04 0.00 0.00 34.95 33.25 1x6g s ARG 73 CO 0.03 -0.55 0.74 -2.00 -0.04 0.00 0.00 175.30 173.48 1x6g s GLU 74 N -3.94 3.29 -0.41 3.89 2.12 -1.26 -0.57 118.70 121.83 1x6g s GLU 74 Ca 0.32 -0.38 -0.42 0.00 0.36 0.00 0.00 54.97 54.84 1x6g s GLU 74 Cb 0.03 -4.00 -0.17 0.00 0.26 0.00 0.00 34.13 30.25 1x6g s GLU 74 CO 0.13 -1.18 1.88 -2.13 -0.54 0.00 0.00 175.26 173.41 1x6g n ARG 75 N 6.61 0.55 -2.10 4.30 0.63 -1.25 -3.79 116.66 121.61 1x6g n ARG 75 Ca -0.01 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1x6g n ARG 75 Cb 0.47 -1.85 0.00 0.00 0.45 0.00 0.00 32.46 31.53 1x6g n ARG 75 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1x6g n SER 76 N 6.26 -8.33 -3.67 6.15 7.64 -1.26 -5.08 113.62 115.34 1x6g n SER 76 Ca 0.37 1.52 -0.01 0.00 1.01 0.00 0.00 58.87 61.77 1x6g n SER 76 Cb 0.05 -4.53 -0.01 0.00 -1.01 0.00 0.00 64.21 58.71 1x6g n SER 76 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x6g s GLY 77 N -0.50 -0.31 -0.43 0.23 0.00 -1.25 -5.11 107.32 99.95 1x6g s GLY 77 Ca 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 44.72 44.83 1x6g s GLY 77 CO 0.00 0.35 1.42 2.56 0.00 0.00 0.00 173.10 177.43 1x6g s PRO 78 N -2.74 3.53 0.00 2.90 0.04 -1.26 -4.90 135.00 132.56 1x6g s PRO 78 Ca 0.14 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1x6g s PRO 78 Cb 0.02 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1x6g s PRO 78 CO -0.01 -1.63 0.00 0.43 0.04 0.00 0.00 177.00 175.83 1x6g n SER 79 N 8.97 0.00 -4.56 6.66 7.64 -1.26 -5.08 113.62 125.99 1x6g n SER 79 Ca 0.16 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.79 1x6g n SER 79 Cb 0.48 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 1x6g n SER 79 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x6g s SER 80 N 0.00 4.87 0.00 6.43 0.15 -1.26 -5.19 113.70 118.70 1x6g s SER 80 Ca 0.00 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1x6g s SER 80 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1x6g s SER 80 CO 0.00 -2.97 0.00 0.61 1.20 0.00 0.00 173.24 172.08