#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6b n SER 2 N 0.00 -7.51 -2.94 1.61 7.64 -1.26 -4.99 113.62 106.17 1x6b n SER 2 Ca 0.00 1.00 0.03 0.00 1.01 0.00 0.00 58.87 60.92 1x6b n SER 2 Cb 0.00 -4.40 0.00 0.00 -1.01 0.00 0.00 64.21 58.80 1x6b n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x6b s SER 3 N -6.78 -0.40 0.00 6.43 0.15 -1.26 -5.11 113.70 106.73 1x6b s SER 3 Ca 0.00 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1x6b s SER 3 Cb 0.00 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 1x6b s SER 3 CO 0.00 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1x6b n GLY 4 N 4.31 -0.68 2.10 9.45 0.00 -1.26 -5.03 105.19 114.08 1x6b n GLY 4 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1x6b n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x6b n SER 5 N 0.00 -1.87 -3.67 1.61 7.64 -1.26 -5.11 113.62 110.95 1x6b n SER 5 Ca 0.00 0.59 -0.10 0.00 1.01 0.00 0.00 58.87 60.37 1x6b n SER 5 Cb 0.00 1.88 -0.11 0.00 -1.01 0.00 0.00 64.21 64.97 1x6b n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x6b s SER 6 N -3.52 -0.16 0.00 6.43 0.15 -1.26 -5.03 113.70 110.32 1x6b s SER 6 Ca 0.00 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1x6b s SER 6 Cb 0.00 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 1x6b s SER 6 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1x6b n GLY 7 N 5.07 -1.79 0.13 9.45 0.00 -1.26 -5.08 105.19 111.71 1x6b n GLY 7 Ca -0.12 0.62 -0.05 0.00 0.00 0.00 0.00 46.02 46.47 1x6b n GLY 7 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1x6b h TRP 8 N 0.00 -0.29 -2.61 1.61 6.55 -2.06 -3.49 115.95 115.65 1x6b h TRP 8 Ca 0.00 -0.01 0.26 0.00 0.95 0.00 0.00 58.89 60.09 1x6b h TRP 8 Cb 0.00 0.10 -0.14 0.00 -0.86 0.00 0.00 29.16 28.26 1x6b h TRP 8 CO 0.00 -0.18 -0.93 0.94 -1.05 0.00 0.00 178.44 177.22 1x6b n GLN 9 N -2.94 -2.48 0.00 0.49 -0.06 -1.26 -4.89 117.38 106.25 1x6b n GLN 9 Ca -0.04 2.02 0.00 0.00 -2.00 0.00 0.00 57.00 56.98 1x6b n GLN 9 Cb 0.13 -2.90 0.00 0.00 -4.06 0.00 0.00 30.24 23.40 1x6b n GLN 9 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1x6b n GLY 10 N -3.76 2.48 3.00 1.69 0.00 -1.26 -4.96 105.19 102.38 1x6b n GLY 10 Ca -0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 46.02 45.59 1x6b n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x6b n LEU 11 N 0.00 -7.07 -4.71 0.99 4.77 -1.26 -4.86 117.00 104.86 1x6b n LEU 11 Ca 0.00 0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 55.72 1x6b n LEU 11 Cb 0.00 -3.27 -0.03 0.00 -2.33 0.00 0.00 43.42 37.79 1x6b n LEU 11 CO 0.00 -1.60 1.35 -0.24 -1.33 0.00 0.00 177.39 175.57 1x6b n SER 12 N -1.12 3.87 -3.32 -1.43 2.88 -1.26 -4.97 113.62 108.27 1x6b n SER 12 Ca 0.04 1.06 -0.09 0.00 -1.33 0.00 0.00 58.87 58.56 1x6b n SER 12 Cb 0.49 -1.55 -0.06 0.00 -0.75 0.00 0.00 64.21 62.33 1x6b n SER 12 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x6b s SER 13 N 1.13 0.33 0.58 -3.46 1.04 -1.26 -5.10 113.70 106.96 1x6b s SER 13 Ca 0.76 -0.18 -0.20 0.00 0.48 0.00 0.00 55.95 56.81 1x6b s SER 13 Cb -0.53 1.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1x6b s SER 13 CO 0.33 -0.34 1.23 -0.54 0.98 0.00 0.00 173.24 174.90 1x6b s LYS 14 N 2.55 3.05 0.46 4.02 1.02 -1.26 -4.98 119.74 124.60 1x6b s LYS 14 Ca 0.11 1.89 -0.21 0.00 0.02 0.00 0.00 55.97 57.78 1x6b s LYS 14 Cb -0.13 -2.01 -0.09 0.00 -0.52 0.00 0.00 37.83 35.07 1x6b s LYS 14 CO -0.26 -1.16 1.02 0.20 -0.92 0.00 0.00 175.35 174.23 1x6b s GLY 15 N -1.48 2.52 -0.73 -3.33 0.00 -1.26 -4.13 107.32 98.91 1x6b s GLY 15 Ca 0.76 0.57 -0.10 0.00 0.00 0.00 0.00 44.72 45.95 1x6b s GLY 15 CO 0.35 0.89 0.62 1.22 0.00 0.00 0.00 173.10 176.19 1x6b n ASP 16 N -0.75 -5.05 -4.95 1.64 8.00 -1.26 -4.95 116.55 109.24 1x6b n ASP 16 Ca 0.08 -0.76 -0.21 0.00 0.71 0.00 0.00 54.79 54.62 1x6b n ASP 16 Cb 0.52 -1.72 -0.02 0.00 -0.02 0.00 0.00 41.12 39.89 1x6b n ASP 16 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1x6b s LEU 17 N -4.33 4.09 0.18 0.64 1.43 -1.26 -5.08 118.68 114.35 1x6b s LEU 17 Ca 0.10 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 1x6b s LEU 17 Cb -0.01 -2.70 -0.08 0.00 0.03 0.00 0.00 46.19 43.43 1x6b s LEU 17 CO 0.89 -0.19 1.12 -2.16 0.23 0.00 0.00 176.35 176.23 1x6b s PRO 18 N -4.02 4.58 -0.02 1.29 0.04 -1.26 -4.87 135.00 130.73 1x6b s PRO 18 Ca 0.38 1.75 0.07 0.00 0.04 0.00 0.00 61.00 63.24 1x6b s PRO 18 Cb -0.09 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 1x6b s PRO 18 CO 0.29 0.05 -0.23 -0.65 0.04 0.00 0.00 177.00 176.50 1x6b s GLN 19 N -0.41 1.95 -0.01 4.56 -0.21 -1.26 -0.66 119.66 123.61 1x6b s GLN 19 Ca 0.50 -0.83 0.05 0.00 0.02 0.00 0.00 55.36 55.10 1x6b s GLN 19 Cb -0.30 -1.84 -0.01 0.00 1.00 0.00 0.00 33.01 31.86 1x6b s GLN 19 CO 0.36 0.47 -0.15 0.14 -2.12 0.00 0.00 175.29 173.99 1x6b s VAL 20 N -0.48 1.20 -0.27 1.09 -7.23 -1.12 -1.72 120.40 111.88 1x6b s VAL 20 Ca 0.07 -0.65 -0.15 0.00 -1.81 0.00 0.00 61.98 59.44 1x6b s VAL 20 Cb -0.10 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 1x6b s VAL 20 CO -0.00 0.34 0.39 -0.70 -0.31 0.00 0.00 175.10 174.82 1x6b s GLU 21 N -0.33 4.03 -0.26 4.82 2.12 -1.09 -2.72 118.70 125.28 1x6b s GLU 21 Ca 0.05 0.08 -0.29 0.00 0.36 0.00 0.00 54.97 55.18 1x6b s GLU 21 Cb -0.06 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 1x6b s GLU 21 CO -0.00 -0.28 1.84 0.42 -0.54 0.00 0.00 175.26 176.69 1x6b s ILE 22 N 2.07 3.42 0.20 -3.70 -1.09 0.15 -1.86 121.20 120.39 1x6b s ILE 22 Ca 0.16 0.45 -0.06 0.00 -2.23 0.00 0.00 60.65 58.96 1x6b s ILE 22 Cb -0.16 -3.51 0.03 0.00 -1.58 0.00 0.00 42.46 37.25 1x6b s ILE 22 CO 0.10 -0.28 1.61 0.71 -1.23 0.00 0.00 174.94 175.85 1x6b h THR 23 N 6.62 1.27 -4.02 2.92 1.35 -1.85 1.84 112.91 121.04 1x6b h THR 23 Ca -0.36 -1.33 -0.18 0.00 -0.55 0.00 0.00 66.41 63.99 1x6b h THR 23 Cb 1.18 1.14 -0.19 0.00 -1.73 0.00 0.00 68.15 68.55 1x6b h THR 23 CO 1.00 0.45 -0.70 -1.59 -0.25 0.00 0.00 175.52 174.43 1x6b s LYS 24 N -4.67 0.45 0.47 4.72 -2.85 -1.26 -4.08 119.74 112.51 1x6b s LYS 24 Ca -0.10 -0.81 -0.22 0.00 -1.00 0.00 0.00 55.97 53.83 1x6b s LYS 24 Cb 0.13 0.04 -0.09 0.00 -2.06 0.00 0.00 37.83 35.84 1x6b s LYS 24 CO 0.85 -0.04 0.91 0.00 0.10 0.00 0.00 175.35 177.17 1x6b n ALA 25 N 1.16 -0.09 -3.75 0.59 0.00 -1.26 -4.60 120.51 112.56 1x6b n ALA 25 Ca -0.21 0.16 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 1x6b n ALA 25 Cb 0.57 -2.04 -0.12 0.00 0.00 0.00 0.00 19.45 17.86 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 -1.38 2.73 -0.04 0.00 5.36 -1.09 -4.93 117.98 118.63 1x6b s PHE 26 Ca 0.66 -2.97 -0.31 0.00 -0.96 0.00 0.00 56.93 53.36 1x6b s PHE 26 Cb -0.52 -2.16 -0.09 0.00 -0.34 0.00 0.00 43.02 39.91 1x6b s PHE 26 CO 0.55 -0.66 2.00 1.19 -1.46 0.00 0.00 175.22 176.84 1x6b n PHE 27 N 2.44 2.37 -2.33 10.12 3.72 -1.26 -2.92 117.46 129.60 1x6b n PHE 27 Ca 0.20 -0.25 -0.41 0.00 -0.05 0.00 0.00 57.45 56.94 1x6b n PHE 27 Cb 0.38 -2.76 -0.03 0.00 -0.94 0.00 0.00 39.48 36.13 1x6b n PHE 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x6b s ALA 28 N 5.06 3.46 -0.16 4.37 0.00 -1.26 -4.92 121.76 128.31 1x6b s ALA 28 Ca 0.92 0.99 0.07 0.00 0.00 0.00 0.00 51.96 53.94 1x6b s ALA 28 Cb -0.48 -3.44 -0.14 0.00 0.00 0.00 0.00 23.12 19.06 1x6b s ALA 28 CO 0.43 -0.43 -0.06 0.36 0.00 0.00 0.00 175.76 176.07 1x6b n LYS 29 N 2.64 1.05 -1.93 0.00 -0.00 -1.26 -4.92 118.16 113.74 1x6b n LYS 29 Ca 0.05 0.05 -0.12 0.00 -0.00 0.00 0.00 58.31 58.29 1x6b n LYS 29 Cb 0.44 -1.36 0.05 0.00 -0.00 0.00 0.00 35.03 34.17 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 -2.79 0.49 0.00 -1.58 6.02 -1.26 -5.01 117.38 113.25 1x6b n GLN 30 Ca -0.28 -1.67 0.12 0.00 -0.01 0.00 0.00 57.00 55.16 1x6b n GLN 30 Cb 0.89 -0.26 0.16 0.00 1.02 0.00 0.00 30.24 32.05 1x6b n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x6b n ALA 31 N -2.78 3.56 0.88 -1.58 0.00 -1.26 -3.72 120.51 115.60 1x6b n ALA 31 Ca -0.09 -0.51 0.10 0.00 0.00 0.00 0.00 53.44 52.95 1x6b n ALA 31 Cb 0.34 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 18.76 1x6b n ALA 31 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1x6b n ASP 32 N -0.68 0.82 -4.79 0.00 5.68 -1.26 -4.95 116.55 111.37 1x6b n ASP 32 Ca 0.09 -0.76 -0.23 0.00 -0.50 0.00 0.00 54.79 53.39 1x6b n ASP 32 Cb 0.39 0.98 0.08 0.00 -1.14 0.00 0.00 41.12 41.43 1x6b n ASP 32 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1x6b s GLU 33 N -3.06 2.01 -0.08 0.11 2.02 -1.24 -0.21 118.70 118.25 1x6b s GLU 33 Ca 0.07 -0.84 -0.05 0.00 0.02 0.00 0.00 54.97 54.16 1x6b s GLU 33 Cb 0.16 -2.34 0.03 0.00 0.10 0.00 0.00 34.13 32.08 1x6b s GLU 33 CO 0.85 -1.21 0.20 0.54 0.02 0.00 0.00 175.26 175.66 1x6b s VAL 34 N -3.06 -0.02 0.15 2.63 0.11 -1.25 -4.56 120.40 114.40 1x6b s VAL 34 Ca 0.63 0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 59.45 1x6b s VAL 34 Cb -0.08 -0.30 -0.07 0.00 -1.53 0.00 0.00 36.38 34.40 1x6b s VAL 34 CO 0.43 0.03 1.17 -0.89 -3.33 0.00 0.00 175.10 172.51 1x6b s THR 35 N 0.66 3.77 0.39 5.04 2.01 -1.25 -4.34 115.64 121.91 1x6b s THR 35 Ca -0.05 1.44 0.04 0.00 0.31 0.00 0.00 61.69 63.43 1x6b s THR 35 Cb -0.06 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1x6b s THR 35 CO -0.04 0.21 0.07 -0.76 -0.69 0.00 0.00 174.62 173.41 1x6b s LEU 36 N 0.03 2.19 0.30 4.42 1.43 -1.15 -4.93 118.68 120.96 1x6b s LEU 36 Ca 0.53 -1.52 0.06 0.00 -1.03 0.00 0.00 54.13 52.17 1x6b s LEU 36 Cb -0.31 -0.38 -0.06 0.00 0.03 0.00 0.00 46.19 45.47 1x6b s LEU 36 CO 0.34 -0.74 -0.02 -1.10 0.23 0.00 0.00 176.35 175.06 1x6b s GLN 37 N -3.81 1.60 0.10 1.70 -1.52 -1.26 -2.68 119.66 113.78 1x6b s GLN 37 Ca 0.28 -1.83 -0.31 0.00 -1.95 0.00 0.00 55.36 51.54 1x6b s GLN 37 Cb 0.06 -1.10 -0.09 0.00 -0.22 0.00 0.00 33.01 31.66 1x6b s GLN 37 CO 0.14 -0.03 1.60 -1.14 -0.25 0.00 0.00 175.29 175.60 1x6b s GLN 38 N -3.77 4.22 -0.64 2.91 0.74 -1.26 -2.53 119.66 119.33 1x6b s GLN 38 Ca 0.31 2.31 -0.01 0.00 0.05 0.00 0.00 55.36 58.02 1x6b s GLN 38 Cb 0.05 -3.43 0.00 0.00 1.10 0.00 0.00 33.01 30.74 1x6b s GLN 38 CO 0.13 -0.66 0.54 0.00 -0.55 0.00 0.00 175.29 174.74 1x6b n ALA 39 N 4.94 -0.98 -2.67 1.58 0.00 0.62 -4.97 120.51 119.02 1x6b n ALA 39 Ca 0.15 0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.30 1x6b n ALA 39 Cb 0.40 -1.77 -0.08 0.00 0.00 0.00 0.00 19.45 18.00 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 -3.61 4.93 -0.11 0.00 1.11 -1.05 -4.86 116.67 113.08 1x6b s ASP 40 Ca 0.05 -0.20 -0.05 0.00 0.18 0.00 0.00 52.55 52.53 1x6b s ASP 40 Cb -0.02 -1.15 -0.04 0.00 1.07 0.00 0.00 42.92 42.78 1x6b s ASP 40 CO 0.38 0.18 0.08 -0.69 1.18 0.00 0.00 175.17 176.30 1x6b s VAL 41 N -1.28 5.01 -0.03 -1.27 1.01 -1.26 0.29 120.40 122.88 1x6b s VAL 41 Ca 0.25 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 1x6b s VAL 41 Cb -0.12 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 33.13 1x6b s VAL 41 CO 0.17 0.60 0.04 -0.69 0.00 0.00 0.00 175.10 175.22 1x6b s VAL 42 N -0.83 -0.06 -0.46 2.92 1.01 -1.10 -2.87 120.40 119.01 1x6b s VAL 42 Ca 0.13 0.26 -0.24 0.00 0.00 0.00 0.00 61.98 62.13 1x6b s VAL 42 Cb -0.12 -0.11 0.03 0.00 0.00 0.00 0.00 36.38 36.18 1x6b s VAL 42 CO 0.03 0.12 0.86 -0.22 0.00 0.00 0.00 175.10 175.88 1x6b s LEU 43 N 1.36 4.13 0.37 3.92 2.96 -0.63 -2.79 118.68 128.00 1x6b s LEU 43 Ca -0.05 -0.00 -0.28 0.00 -0.22 0.00 0.00 54.13 53.57 1x6b s LEU 43 Cb -0.13 -3.08 -0.11 0.00 0.50 0.00 0.00 46.19 43.37 1x6b s LEU 43 CO -0.03 -0.99 1.51 -0.69 -1.32 0.00 0.00 176.35 174.83 1x6b s VAL 44 N 3.54 2.02 0.00 1.68 1.01 0.17 0.19 120.40 129.01 1x6b s VAL 44 Ca 0.34 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1x6b s VAL 44 Cb -0.11 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1x6b s VAL 44 CO 0.25 0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.53 1x6b n LEU 45 N 0.64 2.74 -3.64 3.92 4.77 0.49 -4.51 117.00 121.41 1x6b n LEU 45 Ca 0.02 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.78 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 0.46 -0.31 -1.10 -1.33 0.00 0.00 177.39 175.74 1x6b s GLN 46 N -1.99 -0.01 -0.31 3.23 -0.21 -0.84 -4.98 119.66 114.55 1x6b s GLN 46 Ca 0.00 0.25 -0.19 0.00 0.02 0.00 0.00 55.36 55.44 1x6b s GLN 46 Cb 0.00 -0.93 -0.01 0.00 1.00 0.00 0.00 33.01 33.07 1x6b s GLN 46 CO 0.00 -0.45 0.55 -0.65 -2.12 0.00 0.00 175.29 172.62 1x6b s GLN 47 N 2.19 3.86 -0.19 2.91 -0.21 -1.26 0.57 119.66 127.53 1x6b s GLN 47 Ca 0.04 0.15 0.01 0.00 0.02 0.00 0.00 55.36 55.57 1x6b s GLN 47 Cb -0.13 -3.73 0.04 0.00 1.00 0.00 0.00 33.01 30.18 1x6b s GLN 47 CO -0.06 -0.53 -0.10 -2.00 -2.12 0.00 0.00 175.29 170.48 1x6b s GLU 48 N 2.45 2.01 -0.84 2.91 2.12 -0.09 -4.98 118.70 122.28 1x6b s GLU 48 Ca 0.22 -0.75 -0.33 0.00 0.36 0.00 0.00 54.97 54.46 1x6b s GLU 48 Cb -0.15 -2.31 -0.21 0.00 0.26 0.00 0.00 34.13 31.72 1x6b s GLU 48 CO 0.12 -0.39 2.48 -0.25 -0.54 0.00 0.00 175.26 176.67 1x6b n ASP 49 N 4.72 0.39 0.00 -1.70 8.00 -1.26 0.14 116.55 126.85 1x6b n ASP 49 Ca -0.15 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1x6b n ASP 49 Cb 0.47 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1x6b n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x6b n GLY 50 N 6.54 3.55 3.06 0.44 0.00 -1.26 -5.05 105.19 112.47 1x6b n GLY 50 Ca 0.61 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 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 1.02 -0.21 1.61 0.52 0.37 -4.51 118.94 117.74 1x6b s TRP 51 Ca 0.00 -0.20 -0.02 0.00 0.02 0.00 0.00 56.10 55.90 1x6b s TRP 51 Cb 0.00 -0.66 0.00 0.00 -1.15 0.00 0.00 33.47 31.66 1x6b s TRP 51 CO 0.00 -0.03 -0.08 -0.51 0.02 0.00 0.00 176.95 176.35 1x6b s LEU 52 N -0.23 2.75 0.13 2.99 2.01 0.81 -0.91 118.68 126.23 1x6b s LEU 52 Ca 0.04 -0.52 -0.15 0.00 0.01 0.00 0.00 54.13 53.51 1x6b s LEU 52 Cb -0.05 -1.67 -0.07 0.00 0.01 0.00 0.00 46.19 44.42 1x6b s LEU 52 CO -0.00 -0.03 0.54 -0.47 1.01 0.00 0.00 176.35 177.40 1x6b s TYR 53 N 1.41 3.63 0.03 0.29 5.04 0.19 -0.24 117.35 127.71 1x6b s TYR 53 Ca 0.05 1.07 -0.03 0.00 -2.44 0.00 0.00 57.07 55.73 1x6b s TYR 53 Cb -0.14 -2.37 0.01 0.00 0.35 0.00 0.00 41.96 39.80 1x6b s TYR 53 CO -0.06 0.46 0.13 0.41 -1.34 0.00 0.00 175.55 175.15 1x6b n GLY 54 N 0.95 1.33 2.89 8.97 0.00 -0.98 0.19 105.19 118.54 1x6b n GLY 54 Ca -0.06 -0.97 -0.30 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 -2.01 1.35 -0.75 1.61 -6.30 0.51 -2.04 118.70 111.07 1x6b s GLU 55 Ca 0.03 -1.08 -0.26 0.00 -2.50 0.00 0.00 54.97 51.16 1x6b s GLU 55 Cb -0.00 -2.52 -0.13 0.00 0.00 0.00 0.00 34.13 31.47 1x6b s GLU 55 CO 0.01 -0.72 2.42 -2.13 0.02 0.00 0.00 175.26 174.86 1x6b n ARG 56 N 4.68 0.62 -0.32 4.30 0.63 0.51 -1.60 116.66 125.48 1x6b n ARG 56 Ca -0.08 -0.75 0.19 0.00 -0.92 0.00 0.00 57.85 56.29 1x6b n ARG 56 Cb 0.44 -3.67 0.36 0.00 0.45 0.00 0.00 32.46 30.03 1x6b n ARG 56 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1x6b n LEU 57 N 18.43 0.01 -0.13 6.15 7.99 -1.14 0.25 117.00 148.56 1x6b n LEU 57 Ca 0.46 1.60 -0.04 0.00 -0.01 0.00 0.00 56.01 58.02 1x6b n LEU 57 Cb 0.45 -0.64 -0.03 0.00 -0.11 0.00 0.00 43.42 43.09 1x6b n LEU 57 CO 0.56 -1.67 0.39 -1.14 -1.51 0.00 0.00 177.39 174.02 1x6b n ARG 58 N -5.33 -0.14 -0.57 3.23 0.63 -1.26 -0.89 116.66 112.33 1x6b n ARG 58 Ca 0.26 0.95 0.03 0.00 -0.92 0.00 0.00 57.85 58.17 1x6b n ARG 58 Cb 0.87 -1.41 0.23 0.00 0.45 0.00 0.00 32.46 32.59 1x6b n ARG 58 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1x6b n ASP 59 N -3.68 3.21 -2.13 6.15 9.92 0.26 -4.93 116.55 125.34 1x6b n ASP 59 Ca 0.01 -3.33 -0.02 0.00 -0.53 0.00 0.00 54.79 50.91 1x6b n ASP 59 Cb 0.08 -0.58 -0.00 0.00 -0.64 0.00 0.00 41.12 39.98 1x6b n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x6b n GLY 60 N -0.84 -0.33 3.73 0.44 0.00 0.70 -4.84 105.19 104.05 1x6b n GLY 60 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 1x6b n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x6b s GLU 61 N -4.28 4.56 -0.34 1.61 2.02 -0.92 -4.72 118.70 116.63 1x6b s GLU 61 Ca 0.00 1.22 -0.07 0.00 0.02 0.00 0.00 54.97 56.14 1x6b s GLU 61 Cb 0.00 -3.39 0.04 0.00 0.10 0.00 0.00 34.13 30.88 1x6b s GLU 61 CO 0.00 0.19 0.12 0.99 0.02 0.00 0.00 175.26 176.59 1x6b s THR 62 N 0.20 3.93 0.18 3.63 2.01 -1.26 0.19 115.64 124.53 1x6b s THR 62 Ca 0.43 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.36 1x6b s THR 62 Cb -0.21 -3.22 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 1x6b s THR 62 CO 0.25 -0.18 0.23 0.61 -0.69 0.00 0.00 174.62 174.84 1x6b n GLY 63 N 4.85 2.82 3.69 4.40 0.00 -0.87 -4.94 105.19 115.15 1x6b n GLY 63 Ca -0.12 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.59 3.39 -0.04 1.61 0.52 0.71 -2.32 118.94 119.23 1x6b s TRP 64 Ca 0.17 0.51 0.02 0.00 0.02 0.00 0.00 56.10 56.82 1x6b s TRP 64 Cb -0.00 -2.39 0.01 0.00 -1.15 0.00 0.00 33.47 29.94 1x6b s TRP 64 CO 0.12 0.11 -0.10 -0.59 0.02 0.00 0.00 176.95 176.51 1x6b s PHE 65 N 0.92 1.13 0.42 -1.98 -0.12 0.66 -3.75 117.98 115.26 1x6b s PHE 65 Ca 0.15 -0.34 -0.23 0.00 -0.05 0.00 0.00 56.93 56.45 1x6b s PHE 65 Cb -0.14 -0.84 -0.09 0.00 -0.63 0.00 0.00 43.02 41.33 1x6b s PHE 65 CO 0.05 -0.18 1.05 -1.25 -0.05 0.00 0.00 175.22 174.85 1x6b s PRO 66 N 0.47 4.09 0.28 1.99 0.04 -1.26 -0.13 135.00 140.47 1x6b s PRO 66 Ca -0.09 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.45 1x6b s PRO 66 Cb -0.12 -2.46 0.40 0.00 0.04 0.00 0.00 34.50 32.36 1x6b s PRO 66 CO 0.02 -0.20 1.75 1.05 0.04 0.00 0.00 177.00 179.66 1x6b h GLU 67 N 2.32 0.63 -0.64 4.56 4.11 -1.87 -2.09 114.58 121.59 1x6b h GLU 67 Ca -0.49 -0.19 0.19 0.00 0.07 0.00 0.00 59.36 58.94 1x6b h GLU 67 Cb 1.22 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1x6b h GLU 67 CO 0.62 0.73 0.64 0.22 0.07 0.00 0.00 179.01 181.28 1x6b h ASP 68 N 0.57 0.00 -0.89 3.06 3.58 -1.92 0.74 116.42 121.57 1x6b h ASP 68 Ca 0.10 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.94 1x6b h ASP 68 Cb 0.54 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 41.25 1x6b h ASP 68 CO 0.03 0.00 0.27 0.49 -2.88 0.00 0.00 179.24 177.15 1x6b n PHE 69 N -3.73 2.99 -3.60 0.28 3.01 -0.79 -4.94 117.46 110.68 1x6b n PHE 69 Ca 0.13 -2.67 -0.05 0.00 1.01 0.00 0.00 57.45 55.87 1x6b n PHE 69 Cb 0.87 -1.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.28 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 -3.71 -2.05 -0.18 4.37 0.00 0.26 -3.75 121.76 116.69 1x6b s ALA 70 Ca 0.59 1.63 0.00 0.00 0.00 0.00 0.00 51.96 54.19 1x6b s ALA 70 Cb 0.47 -0.45 0.04 0.00 0.00 0.00 0.00 23.12 23.19 1x6b s ALA 70 CO 0.01 -0.49 -0.07 1.03 0.00 0.00 0.00 175.76 176.24 1x6b s ARG 71 N -2.00 1.65 -0.53 0.00 0.52 -0.78 -4.81 118.95 113.01 1x6b s ARG 71 Ca 0.08 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 54.33 1x6b s ARG 71 Cb -0.01 -2.19 -0.11 0.00 0.52 0.00 0.00 34.95 33.16 1x6b s ARG 71 CO -0.05 -0.44 2.40 1.19 0.02 0.00 0.00 175.30 178.42 1x6b n PHE 72 N 4.80 1.34 0.38 -0.53 3.72 -1.26 -2.67 117.46 123.24 1x6b n PHE 72 Ca -0.13 0.19 -0.16 0.00 -0.05 0.00 0.00 57.45 57.31 1x6b n PHE 72 Cb 0.47 -2.57 -0.08 0.00 -0.94 0.00 0.00 39.48 36.37 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 7.55 0.00 -2.87 4.37 2.04 -1.71 -3.40 117.51 123.49 1x6b h ILE 73 Ca -0.22 0.00 -0.58 0.00 1.00 0.00 0.00 64.86 65.05 1x6b h ILE 73 Cb 1.29 0.00 -0.40 0.00 -0.74 0.00 0.00 36.82 36.97 1x6b h ILE 73 CO 1.15 0.00 -0.78 -0.55 0.00 0.00 0.00 178.15 177.97 1x6b s SER 74 N -3.60 3.52 0.00 1.72 0.15 -1.26 -5.09 113.70 109.14 1x6b s SER 74 Ca -0.15 -2.02 0.00 0.00 0.70 0.00 0.00 55.95 54.48 1x6b s SER 74 Cb 0.02 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1x6b s SER 74 CO 0.46 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1x6b n GLY 75 N 4.32 5.55 3.63 9.45 0.00 -1.26 -4.59 105.19 122.29 1x6b n GLY 75 Ca 0.05 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 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 3.75 3.92 -0.00 1.61 0.04 -1.26 -5.00 135.00 138.07 1x6b s PRO 76 Ca 0.00 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1x6b s PRO 76 Cb 0.00 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1x6b s PRO 76 CO 0.00 -1.11 -0.01 -1.12 0.04 0.00 0.00 177.00 174.80 1x6b s SER 77 N 2.91 0.18 -0.46 6.66 0.01 -1.26 -5.11 113.70 116.63 1x6b s SER 77 Ca 0.58 -0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.85 1x6b s SER 77 Cb -0.18 -0.03 0.12 0.00 0.21 0.00 0.00 66.02 66.14 1x6b s SER 77 CO 0.23 0.01 0.19 -0.44 0.41 0.00 0.00 173.24 173.65 1x6b s SER 78 N 0.03 4.57 0.00 2.44 0.01 -1.26 -5.29 113.70 114.21 1x6b s SER 78 Ca -0.00 -2.66 0.00 0.00 1.31 0.00 0.00 55.95 54.60 1x6b s SER 78 Cb -0.01 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.56 1x6b s SER 78 CO -0.00 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.95