#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 6.43 -0.51 1.61 0.01 -1.26 -4.97 113.70 115.01 1x6g s SER 2 Ca 0.00 2.90 0.03 0.00 1.31 0.00 0.00 55.95 60.18 1x6g s SER 2 Cb 0.00 -2.64 0.13 0.00 0.21 0.00 0.00 66.02 63.73 1x6g s SER 2 CO 0.00 -0.86 0.26 -0.55 0.41 0.00 0.00 173.24 172.50 1x6g s SER 3 N 0.41 4.56 0.00 2.44 0.15 -1.26 -5.01 113.70 114.98 1x6g s SER 3 Ca 0.61 -2.84 0.00 0.00 0.70 0.00 0.00 55.95 54.42 1x6g s SER 3 Cb -0.46 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1x6g s SER 3 CO 0.48 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1x6g n GLY 4 N 3.37 4.83 3.49 9.45 0.00 -1.26 -5.17 105.19 119.90 1x6g n GLY 4 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1x6g n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6g s SER 5 N 1.37 -0.58 -0.13 1.61 1.04 -1.26 -5.16 113.70 110.59 1x6g s SER 5 Ca 0.00 0.84 -0.02 0.00 0.48 0.00 0.00 55.95 57.24 1x6g s SER 5 Cb 0.00 1.55 -0.03 0.00 0.10 0.00 0.00 66.02 67.64 1x6g s SER 5 CO 0.00 -0.12 -0.06 -0.55 0.98 0.00 0.00 173.24 173.49 1x6g s SER 6 N 2.12 4.61 -0.33 7.02 0.15 -1.26 -5.08 113.70 120.94 1x6g s SER 6 Ca -0.05 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 1x6g s SER 6 Cb -0.06 -1.63 0.11 0.00 -1.71 0.00 0.00 66.02 62.73 1x6g s SER 6 CO -0.17 0.21 0.14 -0.83 1.20 0.00 0.00 173.24 173.79 1x6g s GLY 7 N 0.13 0.98 -0.36 9.45 0.00 -1.26 -4.95 107.32 111.31 1x6g s GLY 7 Ca -0.03 -1.68 -0.09 0.00 0.00 0.00 0.00 44.72 42.92 1x6g s GLY 7 CO 0.03 1.79 0.30 0.54 0.00 0.00 0.00 173.10 175.76 1x6g n ARG 8 N 4.65 -2.82 -0.33 2.90 3.00 -1.26 -4.84 116.66 117.96 1x6g n ARG 8 Ca 0.00 2.37 0.02 0.00 -0.01 0.00 0.00 57.85 60.23 1x6g n ARG 8 Cb 0.40 -5.24 0.08 0.00 0.00 0.00 0.00 32.46 27.70 1x6g n ARG 8 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 1x6g h MET 9 N 2.56 -0.02 -6.39 5.56 2.86 -2.02 -3.37 114.93 114.11 1x6g h MET 9 Ca -0.02 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.08 1x6g h MET 9 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1x6g h MET 9 CO 0.15 -0.01 0.63 -1.25 1.06 0.00 0.00 176.91 177.49 1x6g s PRO 10 N -6.13 4.39 -0.28 -0.22 0.04 -1.26 -5.01 135.00 126.54 1x6g s PRO 10 Ca -0.14 1.71 -0.19 0.00 0.04 0.00 0.00 61.00 62.41 1x6g s PRO 10 Cb 0.23 -3.47 0.08 0.00 0.04 0.00 0.00 34.50 31.38 1x6g s PRO 10 CO 0.74 -0.36 0.73 -0.08 0.04 0.00 0.00 177.00 178.08 1x6g s THR 11 N 1.71 0.00 -0.00 1.26 -1.32 -1.26 -5.08 115.64 110.94 1x6g s THR 11 Ca 0.57 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 61.04 1x6g s THR 11 Cb -0.27 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.73 1x6g s THR 11 CO 0.25 0.00 0.02 -1.14 -2.21 0.00 0.00 174.62 171.55 1x6g n ARG 12 N 3.67 -4.37 -0.96 7.08 0.00 -1.26 -4.89 116.66 115.93 1x6g n ARG 12 Ca -0.18 3.26 0.13 0.00 -0.00 0.00 0.00 57.85 61.06 1x6g n ARG 12 Cb 0.58 -4.14 -0.03 0.00 0.00 0.00 0.00 32.46 28.87 1x6g n ARG 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1x6g n ARG 13 N 1.54 -1.93 -2.06 -0.14 5.12 -1.26 -4.77 116.66 113.17 1x6g n ARG 13 Ca -0.04 1.28 -0.31 0.00 -1.93 0.00 0.00 57.85 56.85 1x6g n ARG 13 Cb 0.06 -2.35 0.00 0.00 -1.16 0.00 0.00 32.46 29.01 1x6g n ARG 13 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1x6g s TRP 14 N -1.86 3.59 0.46 -1.55 0.51 -1.26 -5.06 118.94 113.77 1x6g s TRP 14 Ca 0.00 1.25 0.07 0.00 -2.12 0.00 0.00 56.10 55.30 1x6g s TRP 14 Cb 0.00 -2.67 -0.01 0.00 -0.81 0.00 0.00 33.47 29.97 1x6g s TRP 14 CO 0.00 -0.58 0.30 0.00 -0.51 0.00 0.00 176.95 176.16 1x6g s ALA 15 N -3.03 4.01 -0.22 0.98 0.00 -1.26 -4.86 121.76 117.38 1x6g s ALA 15 Ca 0.54 -1.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.49 1x6g s ALA 15 Cb -0.11 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 1x6g s ALA 15 CO 0.49 -0.27 1.30 -1.25 0.00 0.00 0.00 175.76 176.04 1x6g s PRO 16 N -4.09 4.09 0.00 0.00 0.04 -1.26 -2.83 135.00 130.95 1x6g s PRO 16 Ca 0.40 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1x6g s PRO 16 Cb -0.00 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1x6g s PRO 16 CO 0.23 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.79 1x6g n GLY 17 N 3.93 1.03 3.80 0.56 0.00 -0.36 -4.94 105.19 109.22 1x6g n GLY 17 Ca 0.14 0.00 -0.38 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 4.89 -0.34 2.61 2.01 -1.13 -4.77 115.64 116.92 1x6g s THR 18 Ca 0.00 1.10 -0.26 0.00 0.31 0.00 0.00 61.69 62.84 1x6g s THR 18 Cb 0.00 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 68.67 1x6g s THR 18 CO 0.00 0.51 0.91 -1.10 -0.69 0.00 0.00 174.62 174.25 1x6g s GLN 19 N -0.73 3.92 0.07 4.92 -0.21 -1.26 -2.21 119.66 124.17 1x6g s GLN 19 Ca 0.28 0.68 0.05 0.00 0.02 0.00 0.00 55.36 56.39 1x6g s GLN 19 Cb -0.18 -3.77 -0.04 0.00 1.00 0.00 0.00 33.01 30.03 1x6g s GLN 19 CO 0.16 -0.85 -0.06 0.00 -2.12 0.00 0.00 175.29 172.42 1x6g s ILE 21 N -1.18 3.14 0.34 0.00 -1.09 0.33 -2.23 121.20 120.51 1x6g s ILE 21 Ca 0.21 -1.39 -0.23 0.00 -2.23 0.00 0.00 60.65 57.01 1x6g s ILE 21 Cb -0.11 -2.46 -0.10 0.00 -1.58 0.00 0.00 42.46 38.21 1x6g s ILE 21 CO 0.13 0.09 0.90 0.42 -1.23 0.00 0.00 174.94 175.25 1x6g s THR 22 N -1.22 4.34 -0.11 2.92 -4.23 -1.22 0.82 115.64 116.95 1x6g s THR 22 Ca 0.20 1.59 0.15 0.00 -1.18 0.00 0.00 61.69 62.46 1x6g s THR 22 Cb -0.11 -3.84 -0.11 0.00 1.34 0.00 0.00 72.50 69.78 1x6g s THR 22 CO 0.12 -0.00 0.96 0.11 -0.54 0.00 0.00 174.62 175.27 1x6g h LYS 23 N 2.78 0.00 -4.79 3.99 1.57 -1.84 -3.23 116.57 115.05 1x6g h LYS 23 Ca -0.48 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 57.86 1x6g h LYS 23 Cb 1.19 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.37 1x6g h LYS 23 CO 0.64 0.39 -0.45 0.00 -0.57 0.00 0.00 179.45 179.46 1x6g s GLU 25 N -3.39 3.24 -0.28 0.00 -1.05 -1.26 -3.73 118.70 112.22 1x6g s GLU 25 Ca 0.39 -0.35 0.02 0.00 -0.15 0.00 0.00 54.97 54.88 1x6g s GLU 25 Cb 0.02 -2.93 0.08 0.00 -0.44 0.00 0.00 34.13 30.86 1x6g s GLU 25 CO 0.27 0.64 -0.02 -1.58 0.95 0.00 0.00 175.26 175.51 1x6g s HIS 26 N -0.68 2.90 -0.08 4.83 2.46 0.49 -4.87 115.29 120.34 1x6g s HIS 26 Ca 0.11 -2.24 0.14 0.00 0.47 0.00 0.00 55.06 53.54 1x6g s HIS 26 Cb -0.12 -2.06 -0.23 0.00 -0.13 0.00 0.00 32.58 30.04 1x6g s HIS 26 CO 0.02 -0.86 0.53 0.25 -2.47 0.00 0.00 174.74 172.21 1x6g n THR 27 N 4.52 1.53 -3.72 0.89 -2.24 -1.25 -0.47 114.28 113.54 1x6g n THR 27 Ca -0.07 -0.80 -0.30 0.00 -2.27 0.00 0.00 64.05 60.61 1x6g n THR 27 Cb 0.43 -0.88 -0.13 0.00 -2.10 0.00 0.00 70.33 67.65 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 -2.59 1.24 1.00 -0.78 1.81 -1.26 -4.90 118.95 113.47 1x6g s ARG 28 Ca -0.06 -1.93 -0.15 0.00 -1.72 0.00 0.00 55.73 51.88 1x6g s ARG 28 Cb 0.08 -2.32 0.19 0.00 -0.45 0.00 0.00 34.95 32.45 1x6g s ARG 28 CO 0.83 -1.14 1.18 -1.25 -0.68 0.00 0.00 175.30 174.23 1x6g s PRO 29 N 0.47 0.42 1.31 3.54 0.04 -1.26 -5.04 135.00 134.49 1x6g s PRO 29 Ca 0.17 0.01 -0.18 0.00 0.04 0.00 0.00 61.00 61.04 1x6g s PRO 29 Cb -0.24 -1.78 0.34 0.00 0.04 0.00 0.00 34.50 32.86 1x6g s PRO 29 CO -0.01 -2.63 0.97 0.15 0.04 0.00 0.00 177.00 175.51 1x6g s LYS 30 N -5.48 -2.10 -0.92 4.56 1.02 -1.26 -4.83 119.74 110.74 1x6g s LYS 30 Ca 0.68 0.48 -0.24 0.00 0.02 0.00 0.00 55.97 56.91 1x6g s LYS 30 Cb -0.11 -1.44 0.00 0.00 -0.52 0.00 0.00 37.83 35.76 1x6g s LYS 30 CO 0.54 -4.41 1.67 -1.25 -0.92 0.00 0.00 175.35 170.97 1x6g s PRO 31 N -4.73 3.06 0.00 -1.68 0.04 -1.26 -2.26 135.00 128.17 1x6g s PRO 31 Ca 0.69 -0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1x6g s PRO 31 Cb -0.20 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.28 1x6g s PRO 31 CO 0.62 -2.72 0.00 0.41 0.04 0.00 0.00 177.00 175.35 1x6g n GLY 32 N 6.66 1.82 3.77 0.56 0.00 -1.26 -5.13 105.19 111.61 1x6g n GLY 32 Ca 0.33 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 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 2.18 0.19 1.61 2.02 -0.96 -4.82 118.70 118.84 1x6g s GLU 33 Ca 0.00 -2.26 0.03 0.00 0.02 0.00 0.00 54.97 52.77 1x6g s GLU 33 Cb 0.00 -1.68 -0.03 0.00 0.10 0.00 0.00 34.13 32.51 1x6g s GLU 33 CO 0.00 -0.36 0.32 -1.17 0.02 0.00 0.00 175.26 174.07 1x6g s LEU 34 N -3.94 4.33 0.07 1.80 2.96 -1.26 -4.82 118.68 117.83 1x6g s LEU 34 Ca 0.17 0.13 0.06 0.00 -0.22 0.00 0.00 54.13 54.27 1x6g s LEU 34 Cb 0.02 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.78 1x6g s LEU 34 CO 0.09 -0.00 -0.07 0.00 -1.32 0.00 0.00 176.35 175.06 1x6g s ALA 35 N -1.85 3.06 0.24 5.97 0.00 -1.26 -4.53 121.76 123.39 1x6g s ALA 35 Ca 0.34 -1.15 -0.21 0.00 0.00 0.00 0.00 51.96 50.94 1x6g s ALA 35 Cb -0.10 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 22.02 1x6g s ALA 35 CO 0.29 0.65 0.68 -0.59 0.00 0.00 0.00 175.76 176.78 1x6g s PHE 36 N -1.18 -0.27 0.36 0.00 -0.12 0.39 -5.03 117.98 112.12 1x6g s PHE 36 Ca 0.21 -0.11 0.04 0.00 -0.05 0.00 0.00 56.93 57.02 1x6g s PHE 36 Cb -0.11 0.65 0.04 0.00 -0.63 0.00 0.00 43.02 42.97 1x6g s PHE 36 CO 0.13 -1.12 0.34 0.54 -0.05 0.00 0.00 175.22 175.06 1x6g n ARG 37 N -0.43 0.90 -2.75 1.99 5.12 -1.26 0.19 116.66 120.41 1x6g n ARG 37 Ca -0.08 -2.16 -0.42 0.00 -1.93 0.00 0.00 57.85 53.26 1x6g n ARG 37 Cb 0.61 0.13 -0.03 0.00 -1.16 0.00 0.00 32.46 32.01 1x6g n ARG 37 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1x6g s LYS 38 N -3.52 4.44 0.00 5.56 2.20 -1.24 -3.74 119.74 123.43 1x6g s LYS 38 Ca 0.25 1.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 1x6g s LYS 38 Cb -0.02 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1x6g s LYS 38 CO 0.16 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 1x6g n GLY 39 N 3.10 0.57 3.83 5.54 0.00 -1.22 -4.96 105.19 112.05 1x6g n GLY 39 Ca 0.07 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 1x6g n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x6g s ASP 40 N -2.90 6.09 -0.25 1.61 2.15 -1.25 -4.88 116.67 117.24 1x6g s ASP 40 Ca 0.00 0.38 -0.16 0.00 0.43 0.00 0.00 52.55 53.20 1x6g s ASP 40 Cb 0.00 -1.91 -0.04 0.00 -0.30 0.00 0.00 42.92 40.67 1x6g s ASP 40 CO 0.00 0.39 0.41 -0.69 -0.17 0.00 0.00 175.17 175.11 1x6g s VAL 41 N -1.01 5.16 0.13 1.11 1.01 -1.26 -3.38 120.40 122.15 1x6g s VAL 41 Ca 0.15 0.66 0.05 0.00 0.00 0.00 0.00 61.98 62.85 1x6g s VAL 41 Cb -0.12 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1x6g s VAL 41 CO 0.05 0.16 -0.12 0.68 0.00 0.00 0.00 175.10 175.86 1x6g s VAL 42 N 1.96 1.27 -0.17 2.92 -7.23 -0.95 -2.74 120.40 115.46 1x6g s VAL 42 Ca 0.17 -1.85 -0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1x6g s VAL 42 Cb -0.16 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 1x6g s VAL 42 CO 0.09 -0.55 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.35 1x6g s THR 43 N -2.60 3.17 -0.45 5.32 2.01 -1.02 -1.70 115.64 120.36 1x6g s THR 43 Ca 0.12 -0.59 -0.27 0.00 0.31 0.00 0.00 61.69 61.25 1x6g s THR 43 Cb -0.02 -2.38 -0.08 0.00 0.01 0.00 0.00 72.50 70.03 1x6g s THR 43 CO 0.02 0.48 2.38 -0.38 -0.69 0.00 0.00 174.62 176.44 1x6g n ILE 44 N 4.11 0.04 0.16 1.82 2.08 -0.94 -1.67 119.36 124.95 1x6g n ILE 44 Ca -0.18 -0.63 -0.14 0.00 0.56 0.00 0.00 62.75 62.36 1x6g n ILE 44 Cb 0.52 -2.51 -0.08 0.00 -0.75 0.00 0.00 39.64 36.82 1x6g n ILE 44 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1x6g h LEU 45 N 17.56 -0.34 -7.22 1.39 3.38 0.33 -0.94 115.31 129.47 1x6g h LEU 45 Ca -0.27 -0.16 -0.19 0.00 0.09 0.00 0.00 57.88 57.36 1x6g h LEU 45 Cb 1.27 0.09 -0.31 0.00 0.09 0.00 0.00 40.66 41.80 1x6g h LEU 45 CO 1.12 -0.01 -0.48 -0.70 0.09 0.00 0.00 178.44 178.47 1x6g s GLU 46 N -4.88 0.21 -0.49 1.13 2.56 -1.14 -4.81 118.70 111.27 1x6g s GLU 46 Ca -0.14 0.75 -0.23 0.00 0.00 0.00 0.00 54.97 55.34 1x6g s GLU 46 Cb 0.03 0.00 0.03 0.00 2.00 0.00 0.00 34.13 36.19 1x6g s GLU 46 CO 0.57 -0.24 0.84 0.00 -0.56 0.00 0.00 175.26 175.87 1x6g s ALA 47 N 2.11 3.24 0.19 6.30 0.00 -1.26 -3.90 121.76 128.44 1x6g s ALA 47 Ca -0.02 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 50.66 1x6g s ALA 47 Cb -0.11 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.44 1x6g s ALA 47 CO -0.10 -2.12 0.44 0.00 0.00 0.00 0.00 175.76 173.98 1x6g s GLU 49 N -3.92 4.41 -0.06 0.00 2.12 -1.26 -4.75 118.70 115.24 1x6g s GLU 49 Ca 0.13 1.19 0.02 0.00 0.36 0.00 0.00 54.97 56.68 1x6g s GLU 49 Cb 0.00 -2.57 0.07 0.00 0.26 0.00 0.00 34.13 31.89 1x6g s GLU 49 CO -0.01 0.17 0.86 0.09 -0.54 0.00 0.00 175.26 175.84 1x6g n ASN 50 N 0.11 -0.82 -2.26 -1.70 4.13 -1.26 -4.96 115.26 108.51 1x6g n ASN 50 Ca 0.03 -1.57 -0.09 0.00 1.68 0.00 0.00 54.58 54.64 1x6g n ASN 50 Cb 0.52 0.29 0.05 0.00 -1.54 0.00 0.00 39.78 39.09 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 -0.27 -3.24 -2.65 3.52 4.76 -1.26 -3.77 118.16 115.24 1x6g n LYS 51 Ca -0.19 0.44 -0.08 0.00 -2.87 0.00 0.00 58.31 55.61 1x6g n LYS 51 Cb 0.63 -4.19 0.04 0.00 -1.84 0.00 0.00 35.03 29.66 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 -2.11 -2.07 -4.00 4.39 2.88 -1.26 -4.91 113.62 106.53 1x6g n SER 52 Ca -0.14 -0.28 -0.12 0.00 -1.33 0.00 0.00 58.87 57.00 1x6g n SER 52 Cb 0.59 -2.58 -0.12 0.00 -0.75 0.00 0.00 64.21 61.34 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 -3.16 0.45 0.03 0.66 0.52 -1.25 0.46 118.94 116.65 1x6g s TRP 53 Ca 0.01 -0.41 -0.00 0.00 0.02 0.00 0.00 56.10 55.72 1x6g s TRP 53 Cb -0.00 -0.28 -0.03 0.00 -1.15 0.00 0.00 33.47 32.01 1x6g s TRP 53 CO 0.33 -0.10 -0.03 0.71 0.02 0.00 0.00 176.95 177.88 1x6g s TYR 54 N -1.10 0.34 -0.29 -1.98 1.51 0.31 -4.14 117.35 111.99 1x6g s TYR 54 Ca -0.09 -0.69 -0.08 0.00 -1.01 0.00 0.00 57.07 55.20 1x6g s TYR 54 Cb -0.08 -0.25 -0.00 0.00 -0.11 0.00 0.00 41.96 41.52 1x6g s TYR 54 CO -0.00 -0.25 0.10 0.50 -1.11 0.00 0.00 175.55 174.79 1x6g s ARG 55 N -2.23 3.25 0.40 -0.62 3.52 -1.25 0.18 118.95 122.20 1x6g s ARG 55 Ca -0.09 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.79 1x6g s ARG 55 Cb -0.04 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 1x6g s ARG 55 CO -0.04 -0.40 0.08 0.14 -0.81 0.00 0.00 175.30 174.27 1x6g s VAL 56 N 1.56 0.94 -0.11 7.11 -7.23 -1.14 0.99 120.40 122.52 1x6g s VAL 56 Ca 0.04 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1x6g s VAL 56 Cb -0.17 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.29 1x6g s VAL 56 CO 0.04 0.00 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.93 1x6g s LYS 57 N -3.80 2.17 -0.10 4.82 2.20 -0.67 -3.11 119.74 121.25 1x6g s LYS 57 Ca 0.26 -0.54 -0.30 0.00 -0.36 0.00 0.00 55.97 55.03 1x6g s LYS 57 Cb 0.05 -1.86 -0.03 0.00 -1.51 0.00 0.00 37.83 34.48 1x6g s LYS 57 CO 0.13 -0.07 1.34 -1.58 -0.36 0.00 0.00 175.35 174.81 1x6g s HIS 58 N 1.01 2.76 0.01 4.03 5.65 -0.85 -2.43 115.29 125.48 1x6g s HIS 58 Ca -0.06 0.88 -0.04 0.00 0.25 0.00 0.00 55.06 56.09 1x6g s HIS 58 Cb -0.15 -3.58 -0.02 0.00 -1.18 0.00 0.00 32.58 27.65 1x6g s HIS 58 CO -0.02 -2.11 1.05 1.25 -0.65 0.00 0.00 174.74 174.26 1x6g h HIS 59 N 8.24 -0.12 -0.15 3.88 2.76 -1.86 1.43 115.15 129.34 1x6g h HIS 59 Ca -0.32 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 57.87 1x6g h HIS 59 Cb 1.14 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 30.09 1x6g h HIS 59 CO 0.80 -0.07 -0.34 1.15 -1.30 0.00 0.00 177.93 178.16 1x6g h THR 60 N -0.13 0.00 0.07 6.26 2.02 -1.92 -3.07 112.91 116.14 1x6g h THR 60 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1x6g h THR 60 Cb 0.10 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1x6g h THR 60 CO 0.02 0.00 -0.07 0.28 0.37 0.00 0.00 175.52 176.12 1x6g h SER 61 N -0.31 -0.20 0.00 4.18 0.02 -1.97 -3.47 113.55 111.79 1x6g h SER 61 Ca 0.03 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1x6g h SER 61 Cb 0.40 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1x6g h SER 61 CO -0.30 -0.10 0.00 0.61 -1.14 0.00 0.00 176.83 175.90 1x6g n GLY 62 N -1.08 1.14 4.01 -3.77 0.00 0.49 -5.03 105.19 100.94 1x6g n GLY 62 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1x6g n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x6g s GLN 63 N -0.62 2.13 -0.12 1.61 -0.21 -1.24 -4.84 119.66 116.37 1x6g s GLN 63 Ca 0.00 -1.27 -0.01 0.00 0.02 0.00 0.00 55.36 54.10 1x6g s GLN 63 Cb 0.00 -2.51 0.03 0.00 1.00 0.00 0.00 33.01 31.53 1x6g s GLN 63 CO 0.00 -1.02 -0.05 -1.21 -2.12 0.00 0.00 175.29 170.89 1x6g s GLU 64 N -4.84 1.26 0.18 2.91 2.02 -1.26 -2.00 118.70 116.96 1x6g s GLU 64 Ca 0.62 -0.25 -0.09 0.00 0.02 0.00 0.00 54.97 55.27 1x6g s GLU 64 Cb -0.07 -1.59 -0.01 0.00 0.10 0.00 0.00 34.13 32.57 1x6g s GLU 64 CO 0.40 -0.34 0.31 0.20 0.02 0.00 0.00 175.26 175.86 1x6g s GLY 65 N 1.76 0.52 0.69 -1.39 0.00 -1.18 -4.90 107.32 102.81 1x6g s GLY 65 Ca 0.04 -0.91 -0.11 0.00 0.00 0.00 0.00 44.72 43.74 1x6g s GLY 65 CO -0.07 -0.82 1.06 1.08 0.00 0.00 0.00 173.10 174.34 1x6g s LEU 66 N -2.98 3.15 0.07 0.66 1.43 -1.26 -2.87 118.68 116.88 1x6g s LEU 66 Ca 0.19 1.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.90 1x6g s LEU 66 Cb 0.03 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.72 1x6g s LEU 66 CO 0.02 -1.39 -0.05 -0.76 0.23 0.00 0.00 176.35 174.40 1x6g s LEU 67 N -5.48 2.48 -0.32 1.79 1.43 0.49 -4.23 118.68 114.84 1x6g s LEU 67 Ca 0.58 -0.96 -0.28 0.00 -1.03 0.00 0.00 54.13 52.45 1x6g s LEU 67 Cb -0.14 0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.14 1x6g s LEU 67 CO 0.54 -0.50 1.00 0.00 0.23 0.00 0.00 176.35 177.62 1x6g s ALA 68 N -3.54 3.51 0.56 4.21 0.00 -1.26 -0.53 121.76 124.71 1x6g s ALA 68 Ca 0.07 -0.15 0.30 0.00 0.00 0.00 0.00 51.96 52.18 1x6g s ALA 68 Cb 0.05 -3.58 1.46 0.00 0.00 0.00 0.00 23.12 21.06 1x6g s ALA 68 CO -0.07 -1.41 1.90 0.00 0.00 0.00 0.00 175.76 176.18 1x6g h ALA 69 N 8.09 2.55 -0.87 0.00 0.00 -0.29 0.63 119.26 129.36 1x6g h ALA 69 Ca -0.21 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.14 1x6g h ALA 69 Cb 1.07 0.05 -0.26 0.00 0.00 0.00 0.00 17.79 18.65 1x6g h ALA 69 CO 0.99 -0.91 0.68 0.41 0.00 0.00 0.00 179.25 180.43 1x6g n GLY 70 N -1.62 4.84 0.77 0.00 0.00 -1.26 -3.88 105.19 104.04 1x6g n GLY 70 Ca 0.13 -1.51 -0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.77 2.37 -2.61 4.61 0.00 0.22 -5.00 120.51 119.33 1x6g n ALA 71 Ca 0.54 -0.89 -0.21 0.00 0.00 0.00 0.00 53.44 52.88 1x6g n ALA 71 Cb 1.07 -0.36 -0.13 0.00 0.00 0.00 0.00 19.45 20.02 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 2.17 0.25 0.00 1.43 -1.22 -2.57 118.68 118.74 1x6g s LEU 72 Ca 0.06 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1x6g s LEU 72 Cb 0.07 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 1x6g s LEU 72 CO -0.03 0.07 0.13 0.00 0.23 0.00 0.00 176.35 176.74 1x6g s ARG 73 N -1.13 1.38 -0.53 1.70 1.04 0.24 -4.90 118.95 116.76 1x6g s ARG 73 Ca 0.03 -1.75 -0.22 0.00 -1.04 0.00 0.00 55.73 52.75 1x6g s ARG 73 Cb -0.08 -0.03 0.05 0.00 -2.04 0.00 0.00 34.95 32.85 1x6g s ARG 73 CO 0.01 -0.37 0.80 -2.00 -0.04 0.00 0.00 175.30 173.70 1x6g s GLU 74 N -4.02 3.24 0.20 3.89 2.12 -1.26 -0.51 118.70 122.36 1x6g s GLU 74 Ca 0.38 -0.52 -0.23 0.00 0.36 0.00 0.00 54.97 54.95 1x6g s GLU 74 Cb 0.07 -4.07 0.11 0.00 0.26 0.00 0.00 34.13 30.50 1x6g s GLU 74 CO 0.14 -1.35 1.55 -0.09 -0.54 0.00 0.00 175.26 174.97 1x6g h ARG 75 N 9.16 -0.02 -4.68 4.30 2.43 -1.90 -3.47 114.38 120.20 1x6g h ARG 75 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1x6g h ARG 75 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1x6g h ARG 75 CO 1.03 -0.01 -0.95 0.45 -1.51 0.00 0.00 179.97 178.97 1x6g n SER 76 N -5.39 -9.23 -3.81 -3.80 2.88 -1.26 -5.06 113.62 87.95 1x6g n SER 76 Ca 0.07 1.81 -0.10 0.00 -1.33 0.00 0.00 58.87 59.32 1x6g n SER 76 Cb 0.35 -5.11 -0.06 0.00 -0.75 0.00 0.00 64.21 58.64 1x6g n SER 76 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x6g s GLY 77 N -0.57 0.09 -0.54 0.46 0.00 -1.26 -5.11 107.32 100.38 1x6g s GLY 77 Ca 0.00 -0.47 -0.28 0.00 0.00 0.00 0.00 44.72 43.97 1x6g s GLY 77 CO 0.00 -0.56 1.49 2.56 0.00 0.00 0.00 173.10 176.58 1x6g s PRO 78 N -3.89 3.25 -0.62 2.90 0.04 -1.26 -4.93 135.00 130.50 1x6g s PRO 78 Ca 0.10 0.55 0.04 0.00 0.04 0.00 0.00 61.00 61.74 1x6g s PRO 78 Cb 0.02 -4.15 0.16 0.00 0.04 0.00 0.00 34.50 30.57 1x6g s PRO 78 CO -0.05 -2.00 0.42 -1.12 0.04 0.00 0.00 177.00 174.29 1x6g s SER 79 N 4.88 4.14 -0.26 6.66 0.01 -1.26 -4.93 113.70 122.94 1x6g s SER 79 Ca 0.56 -3.53 -0.02 0.00 1.31 0.00 0.00 55.95 54.27 1x6g s SER 79 Cb -0.12 -1.40 0.01 0.00 0.21 0.00 0.00 66.02 64.72 1x6g s SER 79 CO 0.25 -0.13 0.04 -0.24 0.41 0.00 0.00 173.24 173.57 1x6g n SER 80 N 2.37 -6.73 0.00 2.44 2.88 -1.26 -5.31 113.62 108.01 1x6g n SER 80 Ca 0.19 1.34 0.00 0.00 -1.33 0.00 0.00 58.87 59.07 1x6g n SER 80 Cb 0.37 -4.99 0.00 0.00 -0.75 0.00 0.00 64.21 58.84 1x6g n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42