#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 -0.78 -0.06 1.61 0.15 -1.26 -5.17 113.70 108.19 1x6b s SER 2 Ca 0.00 1.20 -0.31 0.00 0.70 0.00 0.00 55.95 57.54 1x6b s SER 2 Cb 0.00 1.47 0.11 0.00 -1.71 0.00 0.00 66.02 65.89 1x6b s SER 2 CO 0.00 -0.18 1.04 -0.44 1.20 0.00 0.00 173.24 174.86 1x6b s SER 3 N 1.77 -0.24 0.00 5.45 0.01 -1.26 -5.14 113.70 114.29 1x6b s SER 3 Ca -0.08 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.13 1x6b s SER 3 Cb -0.05 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1x6b s SER 3 CO -0.18 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1x6b n GLY 4 N -0.23 0.12 2.99 3.44 0.00 -1.26 -5.14 105.19 105.12 1x6b n GLY 4 Ca -0.05 0.46 0.01 0.00 0.00 0.00 0.00 46.02 46.44 1x6b n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6b s SER 5 N 0.00 -0.93 -0.29 1.61 1.04 -1.26 -5.14 113.70 108.72 1x6b s SER 5 Ca 0.00 -0.46 -0.17 0.00 0.48 0.00 0.00 55.95 55.80 1x6b s SER 5 Cb 0.00 1.20 0.17 0.00 0.10 0.00 0.00 66.02 67.50 1x6b s SER 5 CO 0.00 -0.11 1.12 -0.55 0.98 0.00 0.00 173.24 174.69 1x6b s SER 6 N 1.94 -0.29 0.00 7.02 0.15 -1.26 -5.10 113.70 116.15 1x6b s SER 6 Ca 0.15 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1x6b s SER 6 Cb -0.01 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1x6b s SER 6 CO -0.11 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1x6b n GLY 7 N 3.24 1.35 2.86 9.45 0.00 -1.26 -4.83 105.19 116.00 1x6b n GLY 7 Ca -0.17 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 1x6b n GLY 7 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1x6b s TRP 8 N 0.00 -0.68 0.05 1.61 -0.11 -1.26 -5.13 118.94 113.41 1x6b s TRP 8 Ca 0.00 -0.62 -0.24 0.00 1.22 0.00 0.00 56.10 56.46 1x6b s TRP 8 Cb 0.00 -0.20 -0.06 0.00 -1.50 0.00 0.00 33.47 31.72 1x6b s TRP 8 CO 0.00 -1.04 0.72 -0.65 -4.62 0.00 0.00 176.95 171.36 1x6b s GLN 9 N 1.41 4.45 0.05 5.86 -1.52 -1.26 -4.72 119.66 123.92 1x6b s GLN 9 Ca 0.19 0.98 0.00 0.00 -1.95 0.00 0.00 55.36 54.58 1x6b s GLN 9 Cb -0.10 -3.34 0.00 0.00 -0.22 0.00 0.00 33.01 29.35 1x6b s GLN 9 CO -0.05 0.36 0.00 0.41 -0.25 0.00 0.00 175.29 175.76 1x6b n GLY 10 N 2.26 -5.28 3.15 3.09 0.00 -1.26 -5.03 105.19 102.13 1x6b n GLY 10 Ca -0.04 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1x6b n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x6b s LEU 11 N -0.48 1.93 -0.48 0.99 0.20 -1.26 -4.84 118.68 114.75 1x6b s LEU 11 Ca 0.00 -0.47 -0.37 0.00 0.69 0.00 0.00 54.13 53.98 1x6b s LEU 11 Cb 0.00 -1.21 0.05 0.00 -0.43 0.00 0.00 46.19 44.60 1x6b s LEU 11 CO 0.00 0.11 0.66 -1.20 -0.29 0.00 0.00 176.35 175.63 1x6b n SER 12 N 3.66 -5.37 0.00 3.68 7.64 -1.26 -4.73 113.62 117.23 1x6b n SER 12 Ca -0.20 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.44 1x6b n SER 12 Cb 0.52 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1x6b n SER 12 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x6b n SER 13 N -0.37 0.00 -4.48 6.43 7.64 -1.26 -5.14 113.62 116.44 1x6b n SER 13 Ca -0.11 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.43 1x6b n SER 13 Cb 0.69 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.99 1x6b n SER 13 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1x6b n LYS 14 N 0.00 -0.02 0.00 1.43 4.81 -1.26 -4.88 118.16 118.24 1x6b n LYS 14 Ca 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1x6b n LYS 14 Cb 0.00 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.11 1x6b n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x6b n GLY 15 N 1.39 2.96 3.67 3.14 0.00 -1.26 -5.03 105.19 110.06 1x6b n GLY 15 Ca 0.09 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 -5.14 -4.67 1.61 8.00 -1.26 -4.96 116.55 110.13 1x6b n ASP 16 Ca 0.00 -0.65 -0.23 0.00 0.71 0.00 0.00 54.79 54.62 1x6b n ASP 16 Cb 0.00 -1.72 -0.07 0.00 -0.02 0.00 0.00 41.12 39.31 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 -4.00 3.26 0.65 0.64 1.43 -1.26 -5.12 118.68 114.29 1x6b s LEU 17 Ca 0.15 -0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 52.49 1x6b s LEU 17 Cb -0.02 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1x6b s LEU 17 CO 0.89 -0.05 1.06 -2.16 0.23 0.00 0.00 176.35 176.32 1x6b s PRO 18 N -3.71 3.12 0.00 1.29 0.04 -1.26 -4.89 135.00 129.58 1x6b s PRO 18 Ca 0.32 1.04 0.01 0.00 0.04 0.00 0.00 61.00 62.42 1x6b s PRO 18 Cb -0.06 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.47 1x6b s PRO 18 CO 0.21 -0.96 -0.04 -0.65 0.04 0.00 0.00 177.00 175.60 1x6b s GLN 19 N -4.66 0.28 0.01 4.56 -0.21 -1.26 -1.09 119.66 117.30 1x6b s GLN 19 Ca 0.60 -0.17 0.04 0.00 0.02 0.00 0.00 55.36 55.85 1x6b s GLN 19 Cb -0.15 -0.25 -0.01 0.00 1.00 0.00 0.00 33.01 33.60 1x6b s GLN 19 CO 0.47 0.07 -0.11 0.14 -2.12 0.00 0.00 175.29 173.74 1x6b s VAL 20 N -0.19 0.90 -0.27 1.09 -7.23 -1.04 -2.75 120.40 110.92 1x6b s VAL 20 Ca 0.00 -0.65 -0.10 0.00 -1.81 0.00 0.00 61.98 59.42 1x6b s VAL 20 Cb -0.02 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 1x6b s VAL 20 CO -0.00 0.13 0.15 -0.70 -0.31 0.00 0.00 175.10 174.37 1x6b s GLU 21 N -0.59 3.88 0.13 4.82 2.12 -1.10 -1.81 118.70 126.15 1x6b s GLU 21 Ca 0.02 -0.36 -0.31 0.00 0.36 0.00 0.00 54.97 54.69 1x6b s GLU 21 Cb -0.06 -3.55 -0.10 0.00 0.26 0.00 0.00 34.13 30.68 1x6b s GLU 21 CO 0.00 -0.15 1.65 0.42 -0.54 0.00 0.00 175.26 176.64 1x6b s ILE 22 N 1.63 2.71 -0.25 -3.70 -1.09 0.33 -2.21 121.20 118.62 1x6b s ILE 22 Ca 0.07 0.36 0.21 0.00 -2.23 0.00 0.00 60.65 59.06 1x6b s ILE 22 Cb -0.15 -3.23 0.04 0.00 -1.58 0.00 0.00 42.46 37.53 1x6b s ILE 22 CO 0.08 0.01 1.12 0.71 -1.23 0.00 0.00 174.94 175.64 1x6b h THR 23 N 4.39 0.12 -2.72 2.92 1.35 -1.79 1.58 112.91 118.75 1x6b h THR 23 Ca -0.43 -1.22 -0.11 0.00 -0.55 0.00 0.00 66.41 64.10 1x6b h THR 23 Cb 1.20 1.71 -0.21 0.00 -1.73 0.00 0.00 68.15 69.12 1x6b h THR 23 CO 0.93 0.07 -0.17 -1.59 -0.25 0.00 0.00 175.52 174.51 1x6b s LYS 24 N -3.25 0.67 0.15 4.72 -2.85 -1.26 -4.44 119.74 113.48 1x6b s LYS 24 Ca 0.01 0.21 -0.34 0.00 -1.00 0.00 0.00 55.97 54.84 1x6b s LYS 24 Cb 0.09 0.31 -0.14 0.00 -2.06 0.00 0.00 37.83 36.03 1x6b s LYS 24 CO 0.77 -0.16 1.58 0.00 0.10 0.00 0.00 175.35 177.64 1x6b n ALA 25 N 1.85 1.30 -3.69 0.59 0.00 -1.26 -4.58 120.51 114.73 1x6b n ALA 25 Ca -0.18 0.44 -0.37 0.00 0.00 0.00 0.00 53.44 53.33 1x6b n ALA 25 Cb 0.57 -2.35 -0.09 0.00 0.00 0.00 0.00 19.45 17.58 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 0.97 3.44 -0.59 0.00 5.36 -0.66 -4.89 117.98 121.62 1x6b s PHE 26 Ca 0.79 -2.65 -0.26 0.00 -0.96 0.00 0.00 56.93 53.86 1x6b s PHE 26 Cb -0.69 -3.25 -0.06 0.00 -0.34 0.00 0.00 43.02 38.68 1x6b s PHE 26 CO 0.38 -0.86 2.21 -0.06 -1.46 0.00 0.00 175.22 175.44 1x6b s PHE 27 N -0.02 1.31 0.12 10.12 0.08 -1.26 -2.42 117.98 125.91 1x6b s PHE 27 Ca 0.17 1.32 -0.34 0.00 0.12 0.00 0.00 56.93 58.20 1x6b s PHE 27 Cb -0.19 -3.75 -0.18 0.00 -0.57 0.00 0.00 43.02 38.33 1x6b s PHE 27 CO -0.04 -2.31 0.94 0.00 -0.10 0.00 0.00 175.22 173.72 1x6b n ALA 28 N 15.13 -2.37 -0.06 5.36 0.00 -1.26 -4.87 120.51 132.45 1x6b n ALA 28 Ca 0.33 0.50 -0.07 0.00 0.00 0.00 0.00 53.44 54.20 1x6b n ALA 28 Cb 0.52 -1.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.09 1x6b n ALA 28 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1x6b n LYS 29 N 1.44 1.40 -1.62 0.00 -0.00 -1.26 -4.91 118.16 113.20 1x6b n LYS 29 Ca 0.18 0.03 -0.11 0.00 -0.00 0.00 0.00 58.31 58.41 1x6b n LYS 29 Cb 0.19 -1.27 0.05 0.00 -0.00 0.00 0.00 35.03 34.01 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 -2.62 0.36 0.00 -1.58 6.02 -1.26 -5.00 117.38 113.30 1x6b n GLN 30 Ca -0.20 -1.34 0.12 0.00 -0.01 0.00 0.00 57.00 55.56 1x6b n GLN 30 Cb 0.80 -0.28 0.14 0.00 1.02 0.00 0.00 30.24 31.92 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 -2.91 3.82 -0.02 -1.58 0.00 -1.26 -3.81 120.51 114.76 1x6b n ALA 31 Ca -0.08 -0.45 0.07 0.00 0.00 0.00 0.00 53.44 52.98 1x6b n ALA 31 Cb 0.28 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.59 1x6b n ALA 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1x6b n ASP 32 N -1.24 0.09 -4.27 0.00 9.92 -1.26 -4.96 116.55 114.82 1x6b n ASP 32 Ca 0.06 0.04 -0.29 0.00 -0.53 0.00 0.00 54.79 54.07 1x6b n ASP 32 Cb 0.35 1.64 0.19 0.00 -0.64 0.00 0.00 41.12 42.65 1x6b n ASP 32 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1x6b s GLU 33 N -3.30 0.16 -0.11 -1.24 2.02 -1.25 0.19 118.70 115.17 1x6b s GLU 33 Ca -0.08 -0.01 -0.10 0.00 0.02 0.00 0.00 54.97 54.81 1x6b s GLU 33 Cb 0.12 -1.75 0.03 0.00 0.10 0.00 0.00 34.13 32.63 1x6b s GLU 33 CO 0.88 -2.80 0.29 0.54 0.02 0.00 0.00 175.26 174.19 1x6b s VAL 34 N -3.33 -0.01 0.19 2.63 0.11 -1.16 -4.37 120.40 114.46 1x6b s VAL 34 Ca 0.69 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.45 1x6b s VAL 34 Cb -0.10 -0.42 -0.09 0.00 -1.53 0.00 0.00 36.38 34.24 1x6b s VAL 34 CO 0.54 0.01 1.36 -0.89 -3.33 0.00 0.00 175.10 172.79 1x6b s THR 35 N 0.32 3.11 0.26 5.04 2.01 -1.25 -4.10 115.64 121.02 1x6b s THR 35 Ca -0.01 0.88 0.03 0.00 0.31 0.00 0.00 61.69 62.90 1x6b s THR 35 Cb -0.03 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 1x6b s THR 35 CO -0.01 0.12 0.03 -0.76 -0.69 0.00 0.00 174.62 173.31 1x6b s LEU 36 N 0.15 2.08 0.46 4.42 1.43 -1.01 -4.92 118.68 121.30 1x6b s LEU 36 Ca 0.59 -1.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1x6b s LEU 36 Cb -0.38 -0.25 -0.03 0.00 0.03 0.00 0.00 46.19 45.57 1x6b s LEU 36 CO 0.37 -0.57 0.03 -1.10 0.23 0.00 0.00 176.35 175.31 1x6b s GLN 37 N -3.90 2.07 -0.03 1.70 -1.52 -1.26 -1.65 119.66 115.08 1x6b s GLN 37 Ca 0.32 -2.29 -0.30 0.00 -1.95 0.00 0.00 55.36 51.15 1x6b s GLN 37 Cb 0.07 -1.31 -0.04 0.00 -0.22 0.00 0.00 33.01 31.51 1x6b s GLN 37 CO 0.11 -0.33 1.29 -1.14 -0.25 0.00 0.00 175.29 174.97 1x6b s GLN 38 N -3.82 4.32 -0.45 2.91 0.74 -1.26 -3.07 119.66 119.03 1x6b s GLN 38 Ca 0.15 1.81 -0.01 0.00 0.05 0.00 0.00 55.36 57.36 1x6b s GLN 38 Cb 0.03 -3.56 0.00 0.00 1.10 0.00 0.00 33.01 30.59 1x6b s GLN 38 CO 0.08 -0.50 0.38 0.00 -0.55 0.00 0.00 175.29 174.70 1x6b n ALA 39 N 5.25 -0.65 -2.99 1.58 0.00 0.54 -4.96 120.51 119.28 1x6b n ALA 39 Ca 0.12 0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.26 1x6b n ALA 39 Cb 0.45 -1.55 -0.13 0.00 0.00 0.00 0.00 19.45 18.22 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 -3.37 4.53 0.07 0.00 1.11 -1.09 -4.84 116.67 113.09 1x6b s ASP 40 Ca 0.07 -0.19 -0.20 0.00 0.18 0.00 0.00 52.55 52.40 1x6b s ASP 40 Cb -0.03 -1.72 -0.07 0.00 1.07 0.00 0.00 42.92 42.17 1x6b s ASP 40 CO 0.26 0.17 0.59 -0.69 1.18 0.00 0.00 175.17 176.68 1x6b s VAL 41 N 0.34 4.73 -0.02 -1.27 1.01 -1.26 0.12 120.40 124.05 1x6b s VAL 41 Ca -0.06 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1x6b s VAL 41 Cb -0.15 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.33 1x6b s VAL 41 CO 0.04 0.53 -0.00 -0.69 0.00 0.00 0.00 175.10 174.98 1x6b s VAL 42 N -0.98 0.17 -0.46 2.92 1.01 -0.75 -2.89 120.40 119.41 1x6b s VAL 42 Ca 0.30 0.06 -0.24 0.00 0.00 0.00 0.00 61.98 62.10 1x6b s VAL 42 Cb -0.20 -0.25 0.03 0.00 0.00 0.00 0.00 36.38 35.97 1x6b s VAL 42 CO 0.19 0.13 0.86 -0.22 0.00 0.00 0.00 175.10 176.06 1x6b s LEU 43 N 0.85 4.13 0.36 3.92 2.96 0.13 -2.50 118.68 128.54 1x6b s LEU 43 Ca -0.08 -0.03 -0.28 0.00 -0.22 0.00 0.00 54.13 53.51 1x6b s LEU 43 Cb -0.12 -3.06 -0.11 0.00 0.50 0.00 0.00 46.19 43.40 1x6b s LEU 43 CO -0.02 -1.01 1.51 -0.69 -1.32 0.00 0.00 176.35 174.83 1x6b s VAL 44 N 3.56 2.04 -0.01 1.68 1.01 -0.25 0.20 120.40 128.63 1x6b s VAL 44 Ca 0.33 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1x6b s VAL 44 Cb -0.11 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 1x6b s VAL 44 CO 0.24 0.01 -0.01 0.18 0.00 0.00 0.00 175.10 175.52 1x6b n LEU 45 N 0.73 2.83 -3.70 3.92 4.77 0.50 -4.47 117.00 121.59 1x6b n LEU 45 Ca 0.02 -0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.83 1x6b n LEU 45 Cb 0.39 -0.03 -0.16 0.00 -2.33 0.00 0.00 43.42 41.29 1x6b n LEU 45 CO 0.64 0.49 -0.29 -1.10 -1.33 0.00 0.00 177.39 175.79 1x6b s GLN 46 N -2.02 -0.01 -0.36 3.23 -0.21 -0.83 -4.98 119.66 114.48 1x6b s GLN 46 Ca -0.01 0.41 -0.13 0.00 0.02 0.00 0.00 55.36 55.64 1x6b s GLN 46 Cb 0.00 -0.35 -0.00 0.00 1.00 0.00 0.00 33.01 33.66 1x6b s GLN 46 CO 0.02 -0.27 0.25 -0.65 -2.12 0.00 0.00 175.29 172.52 1x6b s GLN 47 N 1.90 3.28 -0.22 2.91 -0.21 -1.26 0.95 119.66 127.00 1x6b s GLN 47 Ca 0.00 -0.80 0.02 0.00 0.02 0.00 0.00 55.36 54.60 1x6b s GLN 47 Cb -0.12 -3.84 0.04 0.00 1.00 0.00 0.00 33.01 30.08 1x6b s GLN 47 CO -0.04 -0.56 -0.15 -2.00 -2.12 0.00 0.00 175.29 170.42 1x6b s GLU 48 N 1.69 2.51 -0.79 2.91 2.12 -0.20 -5.00 118.70 121.94 1x6b s GLU 48 Ca 0.05 -1.06 -0.33 0.00 0.36 0.00 0.00 54.97 54.00 1x6b s GLU 48 Cb -0.18 -2.68 -0.20 0.00 0.26 0.00 0.00 34.13 31.33 1x6b s GLU 48 CO 0.10 -0.40 2.38 -3.47 -0.54 0.00 0.00 175.26 173.32 1x6b n ASP 49 N 4.55 0.41 0.00 -1.70 2.03 -1.26 0.15 116.55 120.72 1x6b n ASP 49 Ca -0.17 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1x6b n ASP 49 Cb 0.46 -0.86 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 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 6.41 3.71 3.02 0.27 0.00 -1.26 -5.07 105.19 112.27 1x6b n GLY 50 Ca 0.59 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 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 0.10 -0.17 1.61 0.52 0.39 -4.70 118.94 116.69 1x6b s TRP 51 Ca 0.00 -0.22 0.00 0.00 0.02 0.00 0.00 56.10 55.90 1x6b s TRP 51 Cb 0.00 -0.09 0.01 0.00 -1.15 0.00 0.00 33.47 32.24 1x6b s TRP 51 CO 0.00 -0.19 -0.17 -0.51 0.02 0.00 0.00 176.95 176.10 1x6b s LEU 52 N -1.09 2.32 0.04 2.99 2.01 0.64 -1.03 118.68 124.55 1x6b s LEU 52 Ca -0.12 -0.56 -0.10 0.00 0.01 0.00 0.00 54.13 53.37 1x6b s LEU 52 Cb -0.07 -1.53 -0.05 0.00 0.01 0.00 0.00 46.19 44.55 1x6b s LEU 52 CO 0.00 0.04 0.36 -0.47 1.01 0.00 0.00 176.35 177.28 1x6b s TYR 53 N 1.09 3.61 0.04 0.29 5.04 0.27 0.33 117.35 128.02 1x6b s TYR 53 Ca -0.00 0.76 -0.03 0.00 -2.44 0.00 0.00 57.07 55.36 1x6b s TYR 53 Cb -0.14 -2.13 0.01 0.00 0.35 0.00 0.00 41.96 40.05 1x6b s TYR 53 CO -0.06 0.58 0.17 0.41 -1.34 0.00 0.00 175.55 175.31 1x6b n GLY 54 N 1.20 1.33 3.06 8.97 0.00 -0.96 0.19 105.19 118.98 1x6b n GLY 54 Ca -0.11 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 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 1.92 -0.25 1.61 -6.30 0.53 -2.04 118.70 112.17 1x6b s GLU 55 Ca 0.04 -0.49 -0.29 0.00 -2.50 0.00 0.00 54.97 51.73 1x6b s GLU 55 Cb -0.01 -1.55 -0.02 0.00 0.00 0.00 0.00 34.13 32.55 1x6b s GLU 55 CO 0.01 0.05 1.56 0.50 0.02 0.00 0.00 175.26 177.41 1x6b s ARG 56 N 0.60 3.79 0.10 4.30 3.52 0.26 0.21 118.95 131.73 1x6b s ARG 56 Ca -0.15 1.55 0.13 0.00 -0.13 0.00 0.00 55.73 57.13 1x6b s ARG 56 Cb -0.16 -4.01 0.60 0.00 -1.56 0.00 0.00 34.95 29.82 1x6b s ARG 56 CO 0.05 -1.30 1.41 1.28 -0.81 0.00 0.00 175.30 175.93 1x6b n LEU 57 N 8.40 0.22 0.25 -0.88 7.99 -1.14 0.21 117.00 132.05 1x6b n LEU 57 Ca 0.18 0.57 -0.10 0.00 -0.01 0.00 0.00 56.01 56.66 1x6b n LEU 57 Cb 0.46 -0.57 -0.05 0.00 -0.11 0.00 0.00 43.42 43.15 1x6b n LEU 57 CO 0.65 -0.49 0.48 -0.09 -1.51 0.00 0.00 177.39 176.42 1x6b h ARG 58 N 0.00 -0.61 0.00 3.23 2.43 -1.88 -3.39 114.38 114.16 1x6b h ARG 58 Ca 0.00 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 1x6b h ARG 58 Cb 0.16 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1x6b h ARG 58 CO 0.00 -0.40 -1.45 -0.25 -1.51 0.00 0.00 179.97 176.36 1x6b n ASP 59 N -3.80 3.16 0.00 -3.80 9.92 -1.16 -5.00 116.55 115.87 1x6b n ASP 59 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 1x6b n ASP 59 Cb 0.25 0.99 0.00 0.00 -0.64 0.00 0.00 41.12 41.72 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 2.32 1.01 3.72 0.44 0.00 0.55 -5.05 105.19 108.18 1x6b n GLY 60 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.50 4.13 -0.30 1.61 8.01 -1.19 -4.45 118.70 126.01 1x6b s GLU 61 Ca 0.00 2.59 -0.07 0.00 0.01 0.00 0.00 54.97 57.50 1x6b s GLU 61 Cb 0.00 -3.13 0.01 0.00 -4.31 0.00 0.00 34.13 26.70 1x6b s GLU 61 CO 0.00 -0.75 0.08 0.99 0.01 0.00 0.00 175.26 175.59 1x6b s THR 62 N 1.34 3.99 0.16 3.63 2.01 -1.26 0.90 115.64 126.42 1x6b s THR 62 Ca 0.75 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1x6b s THR 62 Cb -0.49 -3.06 -0.00 0.00 0.01 0.00 0.00 72.50 68.96 1x6b s THR 62 CO 0.32 0.08 0.21 0.61 -0.69 0.00 0.00 174.62 175.15 1x6b n GLY 63 N 4.87 2.85 3.83 4.40 0.00 -0.87 -4.96 105.19 115.30 1x6b n GLY 63 Ca -0.14 -1.56 -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 -3.70 3.64 -0.04 1.61 0.52 0.49 -2.26 118.94 119.21 1x6b s TRP 64 Ca 0.15 0.78 -0.02 0.00 0.02 0.00 0.00 56.10 57.03 1x6b s TRP 64 Cb -0.00 -2.19 0.03 0.00 -1.15 0.00 0.00 33.47 30.16 1x6b s TRP 64 CO 0.11 0.60 0.09 -0.59 0.02 0.00 0.00 176.95 177.17 1x6b s PHE 65 N -0.78 -0.07 0.57 -1.98 -0.12 0.15 -2.96 117.98 112.79 1x6b s PHE 65 Ca 0.20 0.29 -0.16 0.00 -0.05 0.00 0.00 56.93 57.20 1x6b s PHE 65 Cb -0.15 -0.12 -0.05 0.00 -0.63 0.00 0.00 43.02 42.08 1x6b s PHE 65 CO 0.09 -0.11 1.05 -1.25 -0.05 0.00 0.00 175.22 174.94 1x6b s PRO 66 N 0.90 3.44 0.16 1.99 0.04 -1.26 -0.26 135.00 140.00 1x6b s PRO 66 Ca -0.07 1.19 -0.02 0.00 0.04 0.00 0.00 61.00 62.14 1x6b s PRO 66 Cb -0.10 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1x6b s PRO 66 CO -0.04 -0.71 1.38 1.05 0.04 0.00 0.00 177.00 178.72 1x6b h GLU 67 N 0.60 0.37 -0.20 4.56 4.11 -1.87 -2.94 114.58 119.20 1x6b h GLU 67 Ca -0.47 -0.35 0.06 0.00 0.07 0.00 0.00 59.36 58.67 1x6b h GLU 67 Cb 1.22 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1x6b h GLU 67 CO 0.58 1.02 0.42 -0.44 0.07 0.00 0.00 179.01 180.65 1x6b h ASP 68 N 0.23 0.00 -0.34 3.06 3.32 -1.94 1.48 116.42 122.23 1x6b h ASP 68 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1x6b h ASP 68 Cb 1.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1x6b h ASP 68 CO 0.14 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.15 1x6b n PHE 69 N -3.26 1.12 -3.96 4.55 3.01 -1.11 -4.98 117.46 112.82 1x6b n PHE 69 Ca 0.03 -0.81 -0.10 0.00 1.01 0.00 0.00 57.45 57.59 1x6b n PHE 69 Cb 0.53 -0.32 -0.07 0.00 -0.01 0.00 0.00 39.48 39.61 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 -2.61 -0.01 -0.18 4.37 0.00 0.51 -2.96 121.76 120.89 1x6b s ALA 70 Ca 0.43 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 1x6b s ALA 70 Cb 0.33 0.90 0.06 0.00 0.00 0.00 0.00 23.12 24.41 1x6b s ALA 70 CO 0.11 -0.67 0.05 1.03 0.00 0.00 0.00 175.76 176.29 1x6b s ARG 71 N -3.98 0.44 -0.48 0.00 0.52 -0.94 -4.82 118.95 109.70 1x6b s ARG 71 Ca 0.18 -0.26 -0.28 0.00 -0.52 0.00 0.00 55.73 54.85 1x6b s ARG 71 Cb 0.03 -1.92 -0.09 0.00 0.52 0.00 0.00 34.95 33.49 1x6b s ARG 71 CO 0.01 -0.62 2.39 1.19 0.02 0.00 0.00 175.30 178.28 1x6b n PHE 72 N 5.14 1.44 0.20 -0.53 3.72 -1.26 -2.71 117.46 123.46 1x6b n PHE 72 Ca -0.08 0.13 -0.15 0.00 -0.05 0.00 0.00 57.45 57.30 1x6b n PHE 72 Cb 0.48 -2.61 -0.07 0.00 -0.94 0.00 0.00 39.48 36.34 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 7.56 0.32 -2.18 4.37 2.04 -1.90 -3.43 117.51 124.30 1x6b h ILE 73 Ca -0.25 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1x6b h ILE 73 Cb 1.28 0.32 -0.24 0.00 -0.74 0.00 0.00 36.82 37.44 1x6b h ILE 73 CO 1.13 0.00 -0.27 -0.44 0.00 0.00 0.00 178.15 178.57 1x6b s SER 74 N -4.64 -0.66 0.00 1.72 0.01 -1.26 -5.06 113.70 103.81 1x6b s SER 74 Ca -0.16 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.27 1x6b s SER 74 Cb 0.06 1.78 0.00 0.00 0.21 0.00 0.00 66.02 68.07 1x6b s SER 74 CO 0.64 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.66 1x6b n GLY 75 N 5.42 -1.86 3.56 3.44 0.00 -1.26 -4.57 105.19 109.91 1x6b n GLY 75 Ca -0.09 0.67 -0.36 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 3.03 -0.16 1.61 0.04 -1.26 -4.93 135.00 133.32 1x6b s PRO 76 Ca 0.00 -0.43 0.01 0.00 0.04 0.00 0.00 61.00 60.62 1x6b s PRO 76 Cb 0.00 -4.92 0.03 0.00 0.04 0.00 0.00 34.50 29.65 1x6b s PRO 76 CO 0.00 -2.67 -0.14 0.45 0.04 0.00 0.00 177.00 174.68 1x6b s SER 77 N 6.29 2.90 -0.07 6.66 0.15 -1.26 -4.96 113.70 123.41 1x6b s SER 77 Ca 0.56 -0.60 0.05 0.00 0.70 0.00 0.00 55.95 56.66 1x6b s SER 77 Cb -0.06 -1.23 -0.07 0.00 -1.71 0.00 0.00 66.02 62.95 1x6b s SER 77 CO 0.02 -0.07 -0.00 -1.54 1.20 0.00 0.00 173.24 172.85 1x6b n SER 78 N 4.73 3.39 0.00 5.45 3.41 -1.26 -5.29 113.62 124.05 1x6b n SER 78 Ca -0.17 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1x6b n SER 78 Cb 0.49 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 1x6b n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49