#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6b s SER 2 N 0.00 -0.54 -0.13 1.61 0.01 -1.26 -5.18 113.70 108.20 1x6b s SER 2 Ca 0.00 0.15 -0.29 0.00 1.31 0.00 0.00 55.95 57.12 1x6b s SER 2 Cb 0.00 0.54 0.08 0.00 0.21 0.00 0.00 66.02 66.85 1x6b s SER 2 CO 0.00 -0.82 0.77 -0.94 0.41 0.00 0.00 173.24 172.66 1x6b s SER 3 N -2.34 -0.61 -0.29 2.44 1.04 -1.26 -5.17 113.70 107.51 1x6b s SER 3 Ca -0.01 0.83 -0.16 0.00 0.48 0.00 0.00 55.95 57.09 1x6b s SER 3 Cb -0.01 0.72 0.17 0.00 0.10 0.00 0.00 66.02 67.00 1x6b s SER 3 CO -0.07 -0.45 1.06 -0.83 0.98 0.00 0.00 173.24 173.93 1x6b s GLY 4 N -0.73 0.14 -0.26 7.32 0.00 -1.26 -5.17 107.32 107.36 1x6b s GLY 4 Ca -0.06 3.33 -0.25 0.00 0.00 0.00 0.00 44.72 47.73 1x6b s GLY 4 CO 0.05 2.76 0.82 -0.56 0.00 0.00 0.00 173.10 176.17 1x6b s SER 5 N 1.45 -0.65 -0.13 1.64 0.01 -1.26 -5.17 113.70 109.59 1x6b s SER 5 Ca -0.08 1.23 -0.29 0.00 1.31 0.00 0.00 55.95 58.12 1x6b s SER 5 Cb -0.03 1.24 0.09 0.00 0.21 0.00 0.00 66.02 67.52 1x6b s SER 5 CO -0.14 -0.23 0.78 -0.94 0.41 0.00 0.00 173.24 173.12 1x6b s SER 6 N 0.25 -0.60 0.00 2.44 1.04 -1.26 -5.17 113.70 110.41 1x6b s SER 6 Ca 0.01 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1x6b s SER 6 Cb -0.05 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1x6b s SER 6 CO -0.01 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1x6b n GLY 7 N 1.24 4.34 3.47 7.32 0.00 -1.26 -5.07 105.19 115.24 1x6b n GLY 7 Ca -0.16 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 1x6b n GLY 7 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x6b s TRP 8 N 0.67 2.82 0.03 1.61 0.51 -1.26 -4.87 118.94 118.45 1x6b s TRP 8 Ca 0.00 -0.92 -0.28 0.00 -2.12 0.00 0.00 56.10 52.77 1x6b s TRP 8 Cb 0.00 -4.36 -0.17 0.00 -0.81 0.00 0.00 33.47 28.13 1x6b s TRP 8 CO 0.00 -1.64 1.32 0.37 -0.51 0.00 0.00 176.95 176.48 1x6b h GLN 9 N 9.31 -0.76 0.16 4.98 4.15 -2.01 -3.36 115.11 127.58 1x6b h GLN 9 Ca -0.03 0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1x6b h GLN 9 Cb 1.04 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.91 1x6b h GLN 9 CO 1.19 -0.45 -0.08 0.78 -1.93 0.00 0.00 178.83 178.34 1x6b h GLY 10 N -1.00 -0.23 -7.45 2.39 0.00 -2.08 -3.39 103.07 91.31 1x6b h GLY 10 Ca -0.08 0.08 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1x6b h GLY 10 CO 0.13 -0.08 1.53 -2.27 0.00 0.00 0.00 176.54 175.84 1x6b s LEU 11 N -5.15 3.39 -0.41 3.11 2.96 -1.26 -4.75 118.68 116.57 1x6b s LEU 11 Ca -0.03 1.02 -0.01 0.00 -0.22 0.00 0.00 54.13 54.89 1x6b s LEU 11 Cb 0.00 -2.71 0.20 0.00 0.50 0.00 0.00 46.19 44.19 1x6b s LEU 11 CO 0.10 -2.57 0.94 -0.55 -1.32 0.00 0.00 176.35 172.95 1x6b s SER 12 N 10.32 -0.76 -0.10 3.68 0.15 -1.26 -4.63 113.70 121.10 1x6b s SER 12 Ca 0.89 -0.85 -0.03 0.00 0.70 0.00 0.00 55.95 56.66 1x6b s SER 12 Cb -0.18 1.00 -0.01 0.00 -1.71 0.00 0.00 66.02 65.11 1x6b s SER 12 CO 0.26 -0.03 -0.06 0.28 1.20 0.00 0.00 173.24 174.89 1x6b h SER 13 N 4.69 0.00 -3.97 5.45 0.02 -1.96 -3.51 113.55 114.26 1x6b h SER 13 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1x6b h SER 13 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1x6b h SER 13 CO -0.06 0.50 -0.51 1.17 -1.14 0.00 0.00 176.83 176.79 1x6b n LYS 14 N -4.28 -2.33 0.00 3.45 3.00 -1.26 -5.10 118.16 111.63 1x6b n LYS 14 Ca -0.02 1.78 0.00 0.00 -0.00 0.00 0.00 58.31 60.07 1x6b n LYS 14 Cb 0.09 -2.14 0.00 0.00 0.00 0.00 0.00 35.03 32.98 1x6b n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x6b n GLY 15 N -1.66 -0.09 2.59 3.14 0.00 -1.26 -4.99 105.19 102.91 1x6b n GLY 15 Ca 0.00 0.56 -0.35 0.00 0.00 0.00 0.00 46.02 46.23 1x6b n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x6b n ASP 16 N 0.00 6.90 -4.44 1.61 8.00 -1.26 -5.03 116.55 122.33 1x6b n ASP 16 Ca 0.00 -3.80 -0.34 0.00 0.71 0.00 0.00 54.79 51.36 1x6b n ASP 16 Cb 0.00 -0.88 0.10 0.00 -0.02 0.00 0.00 41.12 40.32 1x6b n ASP 16 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1x6b n LEU 17 N -0.66 0.36 -4.77 0.64 4.77 -1.26 -4.91 117.00 111.17 1x6b n LEU 17 Ca 0.53 0.44 -0.39 0.00 -0.03 0.00 0.00 56.01 56.57 1x6b n LEU 17 Cb 0.50 -1.22 -0.04 0.00 -2.33 0.00 0.00 43.42 40.33 1x6b n LEU 17 CO 0.56 -3.36 0.76 -2.16 -1.33 0.00 0.00 177.39 171.86 1x6b s PRO 18 N -3.29 4.46 0.06 3.23 0.04 -1.26 -4.88 135.00 133.36 1x6b s PRO 18 Ca 0.61 1.67 0.06 0.00 0.04 0.00 0.00 61.00 63.38 1x6b s PRO 18 Cb -0.27 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 1x6b s PRO 18 CO 0.63 0.08 -0.17 -0.65 0.04 0.00 0.00 177.00 176.94 1x6b s GLN 19 N -1.85 1.04 0.00 4.56 -0.21 -1.26 -0.61 119.66 121.32 1x6b s GLN 19 Ca 0.50 -0.91 0.01 0.00 0.02 0.00 0.00 55.36 54.98 1x6b s GLN 19 Cb -0.28 -1.12 -0.01 0.00 1.00 0.00 0.00 33.01 32.60 1x6b s GLN 19 CO 0.35 0.27 -0.05 0.14 -2.12 0.00 0.00 175.29 173.89 1x6b s VAL 20 N -0.99 0.37 -0.27 1.09 -7.23 -1.17 -2.21 120.40 109.99 1x6b s VAL 20 Ca 0.03 -0.28 -0.16 0.00 -1.81 0.00 0.00 61.98 59.76 1x6b s VAL 20 Cb -0.09 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.49 1x6b s VAL 20 CO 0.02 0.05 0.42 -0.70 -0.31 0.00 0.00 175.10 174.58 1x6b s GLU 21 N -0.25 4.00 -0.39 4.82 2.12 -1.12 -2.91 118.70 124.98 1x6b s GLU 21 Ca 0.00 0.10 -0.28 0.00 0.36 0.00 0.00 54.97 55.16 1x6b s GLU 21 Cb -0.03 -3.67 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 1x6b s GLU 21 CO -0.00 -0.32 1.89 0.42 -0.54 0.00 0.00 175.26 176.70 1x6b s ILE 22 N 2.16 3.38 0.07 -3.70 -1.09 0.23 -2.10 121.20 120.16 1x6b s ILE 22 Ca 0.17 0.36 -0.27 0.00 -2.23 0.00 0.00 60.65 58.68 1x6b s ILE 22 Cb -0.16 -3.61 -0.17 0.00 -1.58 0.00 0.00 42.46 36.94 1x6b s ILE 22 CO 0.10 -0.45 1.65 0.71 -1.23 0.00 0.00 174.94 175.72 1x6b h THR 23 N 6.91 0.74 -3.31 2.92 1.35 -1.83 2.00 112.91 121.69 1x6b h THR 23 Ca -0.32 -0.07 -0.61 0.00 -0.55 0.00 0.00 66.41 64.86 1x6b h THR 23 Cb 1.18 0.78 -0.19 0.00 -1.73 0.00 0.00 68.15 68.19 1x6b h THR 23 CO 1.07 0.01 -0.81 -1.59 -0.25 0.00 0.00 175.52 173.95 1x6b s LYS 24 N -6.00 1.41 0.26 4.72 -2.85 -1.26 -3.64 119.74 112.39 1x6b s LYS 24 Ca -0.15 -1.46 -0.31 0.00 -1.00 0.00 0.00 55.97 53.06 1x6b s LYS 24 Cb 0.05 -1.67 -0.12 0.00 -2.06 0.00 0.00 37.83 34.03 1x6b s LYS 24 CO 0.64 0.36 1.66 0.00 0.10 0.00 0.00 175.35 178.10 1x6b n ALA 25 N 0.37 2.74 -2.70 0.59 0.00 -1.26 -4.52 120.51 115.73 1x6b n ALA 25 Ca -0.14 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 1x6b n ALA 25 Cb 0.56 -2.50 -0.09 0.00 0.00 0.00 0.00 19.45 17.42 1x6b n ALA 25 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1x6b s PHE 26 N 0.45 3.15 -0.26 0.00 5.36 0.24 -4.90 117.98 122.02 1x6b s PHE 26 Ca 0.68 0.15 -0.04 0.00 -0.96 0.00 0.00 56.93 56.77 1x6b s PHE 26 Cb -0.49 -1.73 0.01 0.00 -0.34 0.00 0.00 43.02 40.47 1x6b s PHE 26 CO 0.42 0.48 -0.01 -0.06 -1.46 0.00 0.00 175.22 174.59 1x6b s PHE 27 N -1.01 3.07 0.16 10.12 0.40 -1.26 -0.98 117.98 128.48 1x6b s PHE 27 Ca 0.17 -1.25 -0.31 0.00 -0.60 0.00 0.00 56.93 54.94 1x6b s PHE 27 Cb -0.11 -2.13 -0.09 0.00 0.51 0.00 0.00 43.02 41.20 1x6b s PHE 27 CO 0.07 -0.65 1.45 0.00 0.70 0.00 0.00 175.22 176.80 1x6b s ALA 28 N 1.41 3.66 -0.16 5.36 0.00 -1.26 -4.90 121.76 125.87 1x6b s ALA 28 Ca 0.02 1.24 0.08 0.00 0.00 0.00 0.00 51.96 53.30 1x6b s ALA 28 Cb -0.16 -3.56 -0.15 0.00 0.00 0.00 0.00 23.12 19.24 1x6b s ALA 28 CO -0.02 -0.69 -0.04 0.36 0.00 0.00 0.00 175.76 175.37 1x6b n LYS 29 N 3.53 1.11 -1.58 0.00 -0.00 -1.26 -4.94 118.16 115.02 1x6b n LYS 29 Ca 0.11 0.04 -0.07 0.00 -0.00 0.00 0.00 58.31 58.39 1x6b n LYS 29 Cb 0.41 -1.37 0.03 0.00 -0.00 0.00 0.00 35.03 34.09 1x6b n LYS 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1x6b n GLN 30 N -2.76 0.72 0.00 -1.58 1.13 -1.26 -5.01 117.38 108.62 1x6b n GLN 30 Ca -0.28 -1.06 0.12 0.00 -1.94 0.00 0.00 57.00 53.84 1x6b n GLN 30 Cb 0.92 -0.13 0.24 0.00 0.11 0.00 0.00 30.24 31.39 1x6b n GLN 30 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1x6b n ALA 31 N -2.82 3.43 -0.01 -1.58 0.00 -1.26 -3.70 120.51 114.57 1x6b n ALA 31 Ca -0.05 -0.44 0.10 0.00 0.00 0.00 0.00 53.44 53.05 1x6b n ALA 31 Cb 0.21 -1.05 -0.17 0.00 0.00 0.00 0.00 19.45 18.45 1x6b n ALA 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x6b n ASP 32 N -0.88 0.14 -4.85 0.00 2.03 -1.26 -4.96 116.55 106.76 1x6b n ASP 32 Ca 0.09 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.09 1x6b n ASP 32 Cb 0.36 1.96 0.03 0.00 -0.72 0.00 0.00 41.12 42.75 1x6b n ASP 32 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1x6b s GLU 33 N -3.47 3.23 -0.01 -0.67 2.02 -1.24 0.16 118.70 118.72 1x6b s GLU 33 Ca -0.08 0.79 0.01 0.00 0.02 0.00 0.00 54.97 55.70 1x6b s GLU 33 Cb 0.14 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 32.34 1x6b s GLU 33 CO 0.88 -0.84 -0.02 0.54 0.02 0.00 0.00 175.26 175.84 1x6b s VAL 34 N -3.15 0.19 0.11 2.63 0.11 -1.23 -4.59 120.40 114.47 1x6b s VAL 34 Ca 0.57 -0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 59.27 1x6b s VAL 34 Cb -0.12 -0.21 -0.06 0.00 -1.53 0.00 0.00 36.38 34.46 1x6b s VAL 34 CO 0.54 0.09 1.08 -0.89 -3.33 0.00 0.00 175.10 172.59 1x6b s THR 35 N 0.30 4.18 0.19 5.04 2.01 -1.26 -4.34 115.64 121.76 1x6b s THR 35 Ca -0.03 1.73 0.07 0.00 0.31 0.00 0.00 61.69 63.77 1x6b s THR 35 Cb -0.05 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1x6b s THR 35 CO -0.01 0.22 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.24 1x6b s LEU 36 N 0.28 2.53 0.48 4.42 1.43 -0.15 -4.91 118.68 122.75 1x6b s LEU 36 Ca 0.52 -0.99 0.08 0.00 -1.03 0.00 0.00 54.13 52.71 1x6b s LEU 36 Cb -0.27 -0.65 0.02 0.00 0.03 0.00 0.00 46.19 45.32 1x6b s LEU 36 CO 0.31 -0.17 0.50 -1.10 0.23 0.00 0.00 176.35 176.13 1x6b s GLN 37 N -3.48 2.47 0.10 1.70 1.11 -1.26 0.83 119.66 121.13 1x6b s GLN 37 Ca 0.20 -1.62 -0.31 0.00 0.01 0.00 0.00 55.36 53.64 1x6b s GLN 37 Cb -0.01 -2.43 -0.07 0.00 -1.01 0.00 0.00 33.01 29.48 1x6b s GLN 37 CO 0.06 -0.44 1.30 -1.14 0.01 0.00 0.00 175.29 175.08 1x6b s GLN 38 N -4.31 4.38 -0.71 2.91 -0.44 -1.26 -3.09 119.66 117.13 1x6b s GLN 38 Ca 0.49 1.95 -0.01 0.00 -2.50 0.00 0.00 55.36 55.29 1x6b s GLN 38 Cb -0.05 -3.28 0.00 0.00 -1.64 0.00 0.00 33.01 28.04 1x6b s GLN 38 CO 0.30 -0.34 0.60 0.00 0.50 0.00 0.00 175.29 176.34 1x6b n ALA 39 N 3.78 -1.12 -2.62 1.58 0.00 0.68 -4.95 120.51 117.86 1x6b n ALA 39 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.25 1x6b n ALA 39 Cb 0.44 -1.87 -0.09 0.00 0.00 0.00 0.00 19.45 17.93 1x6b n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x6b s ASP 40 N -3.71 4.62 -0.00 0.00 1.11 -1.13 -4.85 116.67 112.71 1x6b s ASP 40 Ca 0.05 -0.33 0.00 0.00 0.18 0.00 0.00 52.55 52.45 1x6b s ASP 40 Cb -0.02 -0.96 -0.04 0.00 1.07 0.00 0.00 42.92 42.97 1x6b s ASP 40 CO 0.42 0.17 0.06 -0.69 1.18 0.00 0.00 175.17 176.32 1x6b s VAL 41 N -1.30 4.61 -0.10 -1.27 1.01 -1.26 0.76 120.40 122.85 1x6b s VAL 41 Ca 0.23 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 1x6b s VAL 41 Cb -0.11 -3.10 0.05 0.00 0.00 0.00 0.00 36.38 33.21 1x6b s VAL 41 CO 0.16 0.35 0.22 -0.69 0.00 0.00 0.00 175.10 175.14 1x6b s VAL 42 N -1.18 -0.05 -0.46 2.92 1.01 -1.15 -3.53 120.40 117.97 1x6b s VAL 42 Ca 0.22 0.16 -0.24 0.00 0.00 0.00 0.00 61.98 62.12 1x6b s VAL 42 Cb -0.12 -0.35 0.03 0.00 0.00 0.00 0.00 36.38 35.94 1x6b s VAL 42 CO 0.13 0.07 0.86 -0.22 0.00 0.00 0.00 175.10 175.94 1x6b s LEU 43 N 1.28 4.13 0.37 3.92 2.96 0.21 -3.04 118.68 128.51 1x6b s LEU 43 Ca -0.09 -0.01 -0.28 0.00 -0.22 0.00 0.00 54.13 53.53 1x6b s LEU 43 Cb -0.11 -3.07 -0.11 0.00 0.50 0.00 0.00 46.19 43.40 1x6b s LEU 43 CO -0.08 -1.00 1.49 0.52 -1.32 0.00 0.00 176.35 175.96 1x6b n VAL 44 N 6.29 1.96 0.00 1.68 0.31 0.22 0.19 118.33 128.98 1x6b n VAL 44 Ca 0.04 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1x6b n VAL 44 Cb 0.48 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 1x6b n VAL 44 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1x6b n LEU 45 N 0.52 2.66 -3.66 7.52 4.77 0.50 -4.51 117.00 124.80 1x6b n LEU 45 Ca 0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.80 1x6b n LEU 45 Cb 0.39 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.31 1x6b n LEU 45 CO 0.64 0.44 -0.30 -1.10 -1.33 0.00 0.00 177.39 175.74 1x6b s GLN 46 N -1.96 -0.02 -0.37 3.23 -0.21 -0.84 -4.98 119.66 114.51 1x6b s GLN 46 Ca 0.00 0.41 -0.16 0.00 0.02 0.00 0.00 55.36 55.63 1x6b s GLN 46 Cb 0.00 -0.54 -0.00 0.00 1.00 0.00 0.00 33.01 33.47 1x6b s GLN 46 CO 0.00 -0.36 0.39 -0.65 -2.12 0.00 0.00 175.29 172.55 1x6b s GLN 47 N 2.22 3.42 -0.20 2.91 -0.21 -1.26 0.62 119.66 127.16 1x6b s GLN 47 Ca 0.04 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 54.91 1x6b s GLN 47 Cb -0.12 -3.86 0.04 0.00 1.00 0.00 0.00 33.01 30.07 1x6b s GLN 47 CO -0.05 -0.63 -0.14 -2.00 -2.12 0.00 0.00 175.29 170.36 1x6b s GLU 48 N 2.05 2.39 -0.80 2.91 2.12 -0.32 -5.00 118.70 122.05 1x6b s GLU 48 Ca 0.12 -0.89 -0.34 0.00 0.36 0.00 0.00 54.97 54.22 1x6b s GLU 48 Cb -0.17 -2.50 -0.20 0.00 0.26 0.00 0.00 34.13 31.52 1x6b s GLU 48 CO 0.12 -0.36 2.44 -3.47 -0.54 0.00 0.00 175.26 173.45 1x6b n ASP 49 N 4.63 0.44 0.00 -1.70 2.03 -1.26 0.12 116.55 120.81 1x6b n ASP 49 Ca -0.17 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1x6b n ASP 49 Cb 0.47 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 1x6b n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x6b n GLY 50 N 6.65 3.77 3.02 0.27 0.00 -1.26 -5.07 105.19 112.57 1x6b n GLY 50 Ca 0.60 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 1x6b n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x6b s TRP 51 N 0.00 0.13 -0.22 1.61 0.52 0.33 -4.69 118.94 116.62 1x6b s TRP 51 Ca 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 56.10 55.85 1x6b s TRP 51 Cb 0.00 -0.10 0.03 0.00 -1.15 0.00 0.00 33.47 32.24 1x6b s TRP 51 CO 0.00 -0.21 -0.13 -0.51 0.02 0.00 0.00 176.95 176.12 1x6b s LEU 52 N -1.21 2.72 0.14 2.99 2.01 0.98 -1.18 118.68 125.13 1x6b s LEU 52 Ca -0.13 -0.81 -0.16 0.00 0.01 0.00 0.00 54.13 53.03 1x6b s LEU 52 Cb -0.08 -1.57 -0.07 0.00 0.01 0.00 0.00 46.19 44.48 1x6b s LEU 52 CO 0.00 -0.07 0.58 -0.47 1.01 0.00 0.00 176.35 177.41 1x6b s TYR 53 N 1.29 3.65 0.06 0.29 5.04 0.20 -0.09 117.35 127.79 1x6b s TYR 53 Ca 0.01 1.16 -0.08 0.00 -2.44 0.00 0.00 57.07 55.73 1x6b s TYR 53 Cb -0.15 -2.44 0.03 0.00 0.35 0.00 0.00 41.96 39.75 1x6b s TYR 53 CO -0.08 0.45 0.39 0.41 -1.34 0.00 0.00 175.55 175.37 1x6b n GLY 54 N 0.98 0.97 3.12 8.97 0.00 -0.97 0.19 105.19 118.44 1x6b n GLY 54 Ca -0.06 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 1x6b n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x6b s GLU 55 N -2.02 2.36 -0.77 1.61 -6.30 0.51 -2.04 118.70 112.04 1x6b s GLU 55 Ca 0.09 -0.64 -0.26 0.00 -2.50 0.00 0.00 54.97 51.66 1x6b s GLU 55 Cb -0.01 -1.85 0.01 0.00 0.00 0.00 0.00 34.13 32.28 1x6b s GLU 55 CO 0.02 0.09 1.58 0.50 0.02 0.00 0.00 175.26 177.47 1x6b s ARG 56 N 0.53 3.00 0.59 4.30 3.52 0.42 0.65 118.95 131.96 1x6b s ARG 56 Ca -0.16 -0.14 0.30 0.00 -0.13 0.00 0.00 55.73 55.60 1x6b s ARG 56 Cb -0.17 -4.56 1.26 0.00 -1.56 0.00 0.00 34.95 29.92 1x6b s ARG 56 CO 0.06 -2.50 1.60 -0.07 -0.81 0.00 0.00 175.30 173.58 1x6b h LEU 57 N 14.67 0.00 -0.26 -0.88 -0.00 -1.86 1.71 115.31 128.69 1x6b h LEU 57 Ca -0.14 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.77 1x6b h LEU 57 Cb 1.07 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.69 1x6b h LEU 57 CO 1.28 0.00 -0.23 -0.09 -0.00 0.00 0.00 178.44 179.39 1x6b h ARG 58 N 0.00 -0.09 0.00 1.13 2.43 -1.87 -3.33 114.38 112.64 1x6b h ARG 58 Ca 0.42 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.55 1x6b h ARG 58 Cb 2.23 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.80 1x6b h ARG 58 CO -0.00 -0.06 -1.27 -3.47 -1.51 0.00 0.00 179.97 173.65 1x6b n ASP 59 N -3.84 3.89 0.00 -3.80 -0.08 -0.49 -5.01 116.55 107.22 1x6b n ASP 59 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1x6b n ASP 59 Cb 0.13 0.87 0.00 0.00 2.34 0.00 0.00 41.12 44.46 1x6b n ASP 59 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x6b n GLY 60 N 2.51 1.09 3.71 0.27 0.00 0.57 -5.05 105.19 108.29 1x6b n GLY 60 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1x6b n GLY 60 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x6b n GLU 61 N -0.63 2.77 -3.91 1.61 4.71 -1.20 -4.45 120.64 119.54 1x6b n GLU 61 Ca 0.00 1.00 -0.35 0.00 -0.01 0.00 0.00 57.16 57.80 1x6b n GLU 61 Cb 0.00 -2.85 -0.14 0.00 -1.01 0.00 0.00 31.44 27.44 1x6b n GLU 61 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1x6b s THR 62 N 1.41 3.11 0.17 2.62 2.01 -1.26 0.16 115.64 123.85 1x6b s THR 62 Ca 0.76 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.76 1x6b s THR 62 Cb -0.51 -2.61 -0.00 0.00 0.01 0.00 0.00 72.50 69.39 1x6b s THR 62 CO 0.33 0.13 0.21 0.61 -0.69 0.00 0.00 174.62 175.22 1x6b n GLY 63 N 4.70 2.86 3.59 4.40 0.00 -0.87 -4.94 105.19 114.94 1x6b n GLY 63 Ca -0.16 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 1x6b n GLY 63 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x6b s TRP 64 N -3.65 3.24 -0.08 1.61 0.52 0.42 -2.30 118.94 118.69 1x6b s TRP 64 Ca 0.15 0.33 0.04 0.00 0.02 0.00 0.00 56.10 56.65 1x6b s TRP 64 Cb -0.00 -2.59 -0.00 0.00 -1.15 0.00 0.00 33.47 29.73 1x6b s TRP 64 CO 0.11 -0.27 -0.22 -0.59 0.02 0.00 0.00 176.95 176.01 1x6b s PHE 65 N 2.06 2.28 0.58 -1.98 -0.12 0.88 -3.54 117.98 118.14 1x6b s PHE 65 Ca 0.14 -0.84 -0.16 0.00 -0.05 0.00 0.00 56.93 56.02 1x6b s PHE 65 Cb -0.16 -1.53 -0.04 0.00 -0.63 0.00 0.00 43.02 40.66 1x6b s PHE 65 CO 0.10 -0.32 1.05 -1.25 -0.05 0.00 0.00 175.22 174.75 1x6b s PRO 66 N 0.24 3.41 0.15 1.99 0.04 -1.26 -0.02 135.00 139.55 1x6b s PRO 66 Ca -0.13 1.18 -0.03 0.00 0.04 0.00 0.00 61.00 62.06 1x6b s PRO 66 Cb -0.16 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1x6b s PRO 66 CO 0.06 -0.73 1.36 1.05 0.04 0.00 0.00 177.00 178.77 1x6b h GLU 67 N 0.53 0.38 -0.13 4.56 4.11 -1.88 -2.96 114.58 119.19 1x6b h GLU 67 Ca -0.47 -0.38 0.04 0.00 0.07 0.00 0.00 59.36 58.62 1x6b h GLU 67 Cb 1.22 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1x6b h GLU 67 CO 0.58 1.04 0.40 0.22 0.07 0.00 0.00 179.01 181.32 1x6b h ASP 68 N 0.23 0.00 -0.39 3.06 3.58 -1.94 1.45 116.42 122.41 1x6b h ASP 68 Ca -0.06 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 1x6b h ASP 68 Cb 1.48 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.50 1x6b h ASP 68 CO 0.15 0.00 0.03 0.49 -2.88 0.00 0.00 179.24 177.03 1x6b n PHE 69 N -3.12 1.35 -3.93 0.28 3.01 -1.12 -4.96 117.46 108.98 1x6b n PHE 69 Ca 0.01 -0.99 -0.08 0.00 1.01 0.00 0.00 57.45 57.40 1x6b n PHE 69 Cb 0.49 -0.42 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 1x6b n PHE 69 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x6b s ALA 70 N -2.90 -0.67 -0.16 4.37 0.00 0.50 -3.04 121.76 119.86 1x6b s ALA 70 Ca 0.46 -0.64 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 1x6b s ALA 70 Cb 0.38 0.95 0.06 0.00 0.00 0.00 0.00 23.12 24.50 1x6b s ALA 70 CO 0.10 -0.94 0.07 1.03 0.00 0.00 0.00 175.76 176.01 1x6b s ARG 71 N -3.85 0.21 -0.64 0.00 0.52 -0.89 -4.82 118.95 109.47 1x6b s ARG 71 Ca 0.17 -0.10 -0.28 0.00 -0.52 0.00 0.00 55.73 55.00 1x6b s ARG 71 Cb -0.03 -1.72 -0.12 0.00 0.52 0.00 0.00 34.95 33.60 1x6b s ARG 71 CO 0.09 -0.61 2.49 1.19 0.02 0.00 0.00 175.30 178.48 1x6b n PHE 72 N 5.22 1.17 0.34 -0.53 3.72 -1.26 -2.78 117.46 123.34 1x6b n PHE 72 Ca -0.07 0.21 -0.14 0.00 -0.05 0.00 0.00 57.45 57.40 1x6b n PHE 72 Cb 0.49 -2.55 -0.07 0.00 -0.94 0.00 0.00 39.48 36.41 1x6b n PHE 72 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1x6b h ILE 73 N 7.75 0.00 -3.40 4.37 2.04 -1.82 -3.43 117.51 123.02 1x6b h ILE 73 Ca -0.18 0.00 -0.50 0.00 1.00 0.00 0.00 64.86 65.18 1x6b h ILE 73 Cb 1.29 0.00 -0.34 0.00 -0.74 0.00 0.00 36.82 37.03 1x6b h ILE 73 CO 1.22 0.00 -0.81 -0.94 0.00 0.00 0.00 178.15 177.63 1x6b s SER 74 N -3.41 1.66 0.00 1.72 1.04 -1.26 -5.10 113.70 108.34 1x6b s SER 74 Ca -0.13 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1x6b s SER 74 Cb 0.02 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.38 1x6b s SER 74 CO 0.41 0.00 0.00 0.61 0.98 0.00 0.00 173.24 175.24 1x6b n GLY 75 N 3.97 3.81 3.79 7.32 0.00 -1.26 -4.43 105.19 118.39 1x6b n GLY 75 Ca -0.22 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 1x6b n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6b s PRO 76 N -1.18 1.43 -0.19 1.61 0.04 -1.26 -5.09 135.00 130.37 1x6b s PRO 76 Ca 0.00 0.39 -0.31 0.00 0.04 0.00 0.00 61.00 61.12 1x6b s PRO 76 Cb 0.00 -1.86 0.15 0.00 0.04 0.00 0.00 34.50 32.82 1x6b s PRO 76 CO 0.00 -2.02 1.15 0.45 0.04 0.00 0.00 177.00 176.62 1x6b s SER 77 N -4.00 -0.21 0.41 6.66 0.15 -1.26 -5.16 113.70 110.29 1x6b s SER 77 Ca 0.63 0.15 -0.23 0.00 0.70 0.00 0.00 55.95 57.19 1x6b s SER 77 Cb -0.15 0.19 -0.09 0.00 -1.71 0.00 0.00 66.02 64.26 1x6b s SER 77 CO 0.53 -0.25 1.01 -0.44 1.20 0.00 0.00 173.24 175.30 1x6b s SER 78 N -1.53 6.81 0.00 5.45 0.01 -1.26 -5.36 113.70 117.82 1x6b s SER 78 Ca 0.05 1.93 0.00 0.00 1.31 0.00 0.00 55.95 59.24 1x6b s SER 78 Cb -0.01 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1x6b s SER 78 CO -0.04 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.77