#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pr6 n ASP 21 N 0.00 -5.37 -3.98 -1.43 5.75 -1.26 -5.10 116.55 105.16 2pr6 n ASP 21 Ca 0.00 1.06 -0.08 0.00 -0.01 0.00 0.00 54.79 55.75 2pr6 n ASP 21 Cb 0.00 -2.20 -0.09 0.00 -1.03 0.00 0.00 41.12 37.80 2pr6 n ASP 21 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2pr6 s HIS 22 N -0.12 0.31 -0.17 2.11 2.46 -1.26 -5.14 115.29 113.48 2pr6 s HIS 22 Ca -0.04 -0.71 -0.15 0.00 0.47 0.00 0.00 55.06 54.63 2pr6 s HIS 22 Cb 0.00 -0.22 -0.04 0.00 -0.13 0.00 0.00 32.58 32.19 2pr6 s HIS 22 CO 0.11 -0.38 0.37 0.14 -2.47 0.00 0.00 174.74 172.52 2pr6 s VAL 23 N -3.11 5.24 0.01 0.89 -7.23 -1.26 -5.06 120.40 109.88 2pr6 s VAL 23 Ca -0.01 0.69 0.01 0.00 -1.81 0.00 0.00 61.98 60.86 2pr6 s VAL 23 Cb 0.02 -3.71 -0.01 0.00 0.56 0.00 0.00 36.38 33.24 2pr6 s VAL 23 CO -0.07 0.31 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.86 2pr6 s ARG 24 N 0.89 0.31 0.58 4.82 0.52 -1.26 -5.14 118.95 119.67 2pr6 s ARG 24 Ca 0.19 -0.39 -0.18 0.00 -0.52 0.00 0.00 55.73 54.84 2pr6 s ARG 24 Cb -0.14 -0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.14 2pr6 s ARG 24 CO 0.07 0.03 1.10 0.54 0.02 0.00 0.00 175.30 177.06 2pr6 s VAL 25 N -0.74 3.35 -0.15 3.52 0.11 -1.26 -4.79 120.40 120.45 2pr6 s VAL 25 Ca -0.06 0.74 -0.08 0.00 -2.93 0.00 0.00 61.98 59.66 2pr6 s VAL 25 Cb -0.05 -3.26 -0.04 0.00 -1.53 0.00 0.00 36.38 31.49 2pr6 s VAL 25 CO -0.00 -0.28 0.12 -0.83 -3.33 0.00 0.00 175.10 170.78 2pr6 s GLY 26 N -2.20 2.09 -0.06 6.54 0.00 0.01 -4.03 107.32 109.68 2pr6 s GLY 26 Ca 0.69 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.75 2pr6 s GLY 26 CO 0.32 -0.19 -0.08 0.14 0.00 0.00 0.00 173.10 173.29 2pr6 s VAL 27 N -0.48 0.82 0.08 1.40 1.01 -1.26 0.12 120.40 122.10 2pr6 s VAL 27 Ca 0.12 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.88 2pr6 s VAL 27 Cb -0.12 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2pr6 s VAL 27 CO 0.02 0.29 -0.17 0.68 0.00 0.00 0.00 175.10 175.92 2pr6 s VAL 28 N 0.84 1.37 -0.05 2.92 -7.23 -0.19 -1.19 120.40 116.87 2pr6 s VAL 28 Ca -0.12 -1.39 0.05 0.00 -1.81 0.00 0.00 61.98 58.71 2pr6 s VAL 28 Cb -0.15 -1.28 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 2pr6 s VAL 28 CO 0.01 -0.14 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.83 2pr6 s ILE 29 N -1.20 1.67 0.18 -0.62 1.01 -0.14 -0.47 121.20 121.63 2pr6 s ILE 29 Ca 0.02 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 59.91 2pr6 s ILE 29 Cb -0.10 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 2pr6 s ILE 29 CO 0.03 0.47 -0.12 0.42 0.00 0.00 0.00 174.94 175.74 2pr6 s THR 30 N -0.05 3.04 -0.45 2.92 -4.23 -0.56 -0.17 115.64 116.14 2pr6 s THR 30 Ca -0.04 -1.72 -0.03 0.00 -1.18 0.00 0.00 61.69 58.72 2pr6 s THR 30 Cb -0.12 -2.50 0.12 0.00 1.34 0.00 0.00 72.50 71.34 2pr6 s THR 30 CO 0.03 -0.11 0.26 -0.62 -0.54 0.00 0.00 174.62 173.64 2pr6 s ASP 31 N -2.79 5.30 0.00 3.99 -1.08 -0.49 -2.76 116.67 118.84 2pr6 s ASP 31 Ca 0.24 -2.16 0.22 0.00 -0.52 0.00 0.00 52.55 50.32 2pr6 s ASP 31 Cb -0.09 -1.85 1.22 0.00 -1.46 0.00 0.00 42.92 40.74 2pr6 s ASP 31 CO 0.14 -0.53 1.68 -0.81 0.52 0.00 0.00 175.17 176.18 2pr6 n PRO 32 N 4.43 0.54 0.00 4.34 -0.04 -1.26 -1.82 135.00 141.19 2pr6 n PRO 32 Ca -0.01 0.03 0.14 0.00 -0.04 0.00 0.00 63.50 63.62 2pr6 n PRO 32 Cb 0.41 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.87 2pr6 n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pr6 n ALA 33 N -1.11 2.88 -2.84 0.55 0.00 -1.26 -4.72 120.51 114.01 2pr6 n ALA 33 Ca 0.14 -0.26 -0.27 0.00 0.00 0.00 0.00 53.44 53.05 2pr6 n ALA 33 Cb 0.11 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.21 2pr6 n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pr6 s LEU 34 N -2.72 3.98 -0.15 0.00 1.43 -0.76 -5.04 118.68 115.42 2pr6 s LEU 34 Ca 0.21 -0.02 -0.38 0.00 -1.03 0.00 0.00 54.13 52.92 2pr6 s LEU 34 Cb 0.19 -2.58 -0.15 0.00 0.03 0.00 0.00 46.19 43.68 2pr6 s LEU 34 CO 0.54 0.08 1.72 1.21 0.23 0.00 0.00 176.35 180.13 2pr6 n GLU 35 N -0.29 1.50 -1.63 1.70 2.13 -1.26 -1.29 120.64 121.50 2pr6 n GLU 35 Ca -0.08 0.55 -0.16 0.00 0.66 0.00 0.00 57.16 58.13 2pr6 n GLU 35 Cb 0.54 -2.28 -0.06 0.00 0.27 0.00 0.00 31.44 29.92 2pr6 n GLU 35 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2pr6 n ASP 36 N 5.21 -4.88 -3.47 4.31 2.03 -1.26 -4.03 116.55 114.47 2pr6 n ASP 36 Ca 0.24 0.31 -0.23 0.00 0.52 0.00 0.00 54.79 55.63 2pr6 n ASP 36 Cb 0.19 -3.82 0.05 0.00 -0.72 0.00 0.00 41.12 36.83 2pr6 n ASP 36 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2pr6 n ASN 37 N -0.65 -6.01 -4.83 1.67 5.15 -0.41 -4.51 115.26 105.67 2pr6 n ASN 37 Ca -0.16 -0.85 -0.32 0.00 -0.60 0.00 0.00 54.58 52.65 2pr6 n ASN 37 Cb 0.54 -4.21 -0.01 0.00 -0.53 0.00 0.00 39.78 35.57 2pr6 n ASN 37 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2pr6 s PRO 38 N -5.16 3.66 0.09 1.20 0.04 -1.25 -4.57 135.00 129.01 2pr6 s PRO 38 Ca 0.44 1.03 -0.31 0.00 0.04 0.00 0.00 61.00 62.20 2pr6 s PRO 38 Cb -0.11 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.25 2pr6 s PRO 38 CO 0.81 -0.51 1.59 0.42 0.04 0.00 0.00 177.00 179.35 2pr6 s ILE 39 N -2.62 3.00 -0.23 0.56 1.01 -0.25 -1.39 121.20 121.27 2pr6 s ILE 39 Ca 0.60 0.55 0.05 0.00 0.00 0.00 0.00 60.65 61.86 2pr6 s ILE 39 Cb -0.12 -3.36 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 2pr6 s ILE 39 CO 0.36 0.01 0.22 1.33 0.00 0.00 0.00 174.94 176.86 2pr6 n VAL 40 N 4.47 0.00 -3.78 2.92 0.24 0.75 -0.40 118.33 122.53 2pr6 n VAL 40 Ca 0.15 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 2pr6 n VAL 40 Cb 0.40 0.94 -0.12 0.00 -1.47 0.00 0.00 33.84 33.59 2pr6 n VAL 40 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2pr6 s TYR 41 N -1.61 -0.27 -0.04 6.34 5.04 -1.00 -4.97 117.35 120.84 2pr6 s TYR 41 Ca 0.02 0.65 -0.04 0.00 -2.44 0.00 0.00 57.07 55.26 2pr6 s TYR 41 Cb 0.04 0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.45 2pr6 s TYR 41 CO 0.23 -0.14 0.11 0.54 -1.34 0.00 0.00 175.55 174.95 2pr6 s VAL 42 N 0.24 -0.00 0.65 3.14 0.11 -1.26 -0.97 120.40 122.31 2pr6 s VAL 42 Ca -0.01 0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.97 2pr6 s VAL 42 Cb -0.03 -0.17 0.01 0.00 -1.53 0.00 0.00 36.38 34.67 2pr6 s VAL 42 CO -0.01 0.01 1.00 0.54 -3.33 0.00 0.00 175.10 173.31 2pr6 s ASN 43 N 0.15 5.50 0.45 3.54 4.22 -0.33 -4.98 114.94 123.49 2pr6 s ASN 43 Ca -0.01 0.92 0.15 0.00 -2.14 0.00 0.00 52.86 51.79 2pr6 s ASN 43 Cb -0.02 -1.81 1.02 0.00 1.28 0.00 0.00 41.25 41.73 2pr6 s ASN 43 CO -0.00 -1.22 2.00 1.56 -2.04 0.00 0.00 177.10 177.40 2pr6 h GLN 44 N -0.43 0.00 -0.70 3.55 1.08 -1.92 -2.70 115.11 113.99 2pr6 h GLN 44 Ca -0.45 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 56.88 2pr6 h GLN 44 Cb 1.26 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.59 2pr6 h GLN 44 CO 0.62 0.18 0.24 0.78 -0.95 0.00 0.00 178.83 179.70 2pr6 h GLY 45 N 0.55 1.01 1.54 3.46 0.00 -1.91 -0.19 103.07 107.53 2pr6 h GLY 45 Ca -0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 47.33 47.03 2pr6 h GLY 45 CO 0.02 -0.11 -0.78 -2.75 0.00 0.00 0.00 176.54 172.92 2pr6 h PHE 46 N 0.37 0.61 -0.37 5.60 3.57 -1.62 0.11 116.94 125.22 2pr6 h PHE 46 Ca 0.38 -0.28 0.06 0.00 3.53 0.00 0.00 57.97 61.66 2pr6 h PHE 46 Cb 0.58 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 2pr6 h PHE 46 CO -0.20 1.06 0.04 0.28 -2.23 0.00 0.00 178.31 177.26 2pr6 h VAL 47 N 0.29 0.77 -0.38 1.41 2.07 -1.28 -0.98 116.25 118.16 2pr6 h VAL 47 Ca -0.04 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 67.29 2pr6 h VAL 47 Cb 1.38 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2pr6 h VAL 47 CO 0.14 0.03 -0.32 1.56 0.02 0.00 0.00 177.57 179.00 2pr6 h GLN 48 N 0.15 0.84 -0.55 1.57 4.20 -0.85 -0.99 115.11 119.47 2pr6 h GLN 48 Ca 0.18 -0.40 -0.03 0.00 0.06 0.00 0.00 58.65 58.46 2pr6 h GLN 48 Cb 0.23 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2pr6 h GLN 48 CO -0.27 1.03 0.22 1.98 -0.67 0.00 0.00 178.83 181.12 2pr6 h MET 49 N 0.70 0.83 0.00 1.46 4.05 -0.48 -3.30 114.93 118.20 2pr6 h MET 49 Ca 0.07 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2pr6 h MET 49 Cb 0.87 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 2pr6 h MET 49 CO 0.08 0.73 -1.48 0.25 0.23 0.00 0.00 176.91 176.71 2pr6 n THR 50 N -4.50 0.07 -0.85 -0.77 -2.24 -0.40 -4.90 114.28 100.69 2pr6 n THR 50 Ca 0.03 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2pr6 n THR 50 Cb 0.17 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2pr6 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pr6 n GLY 51 N 1.34 0.87 3.80 3.38 0.00 -0.38 -0.59 105.19 113.62 2pr6 n GLY 51 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2pr6 n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pr6 s TYR 52 N -3.46 3.56 0.71 1.61 2.02 -1.22 -4.65 117.35 115.92 2pr6 s TYR 52 Ca 0.00 0.64 -0.15 0.00 -0.37 0.00 0.00 57.07 57.19 2pr6 s TYR 52 Cb 0.00 -2.19 0.03 0.00 -0.40 0.00 0.00 41.96 39.40 2pr6 s TYR 52 CO 0.00 0.49 1.16 -1.21 -1.57 0.00 0.00 175.55 174.42 2pr6 s GLU 53 N -0.36 2.36 0.28 -0.62 0.41 -1.26 -4.45 118.70 115.05 2pr6 s GLU 53 Ca 0.17 1.58 -0.02 0.00 -0.41 0.00 0.00 54.97 56.29 2pr6 s GLU 53 Cb -0.13 -1.88 0.61 0.00 -1.78 0.00 0.00 34.13 30.94 2pr6 s GLU 53 CO 0.05 -1.63 1.62 0.00 -0.49 0.00 0.00 175.26 174.82 2pr6 h THR 54 N -0.25 0.23 0.00 3.63 1.03 -1.96 0.28 112.91 115.87 2pr6 h THR 54 Ca -0.47 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 2pr6 h THR 54 Cb 1.27 0.12 0.00 0.00 -1.07 0.00 0.00 68.15 68.47 2pr6 h THR 54 CO 0.51 0.02 0.00 -0.62 -0.01 0.00 0.00 175.52 175.42 2pr6 n GLU 55 N -5.36 0.15 -0.02 0.00 -0.58 -1.26 -1.56 120.64 112.02 2pr6 n GLU 55 Ca 0.19 0.18 0.13 0.00 -0.42 0.00 0.00 57.16 57.24 2pr6 n GLU 55 Cb 0.62 -1.70 0.59 0.00 -0.57 0.00 0.00 31.44 30.38 2pr6 n GLU 55 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2pr6 n GLU 56 N -1.97 1.48 -0.03 3.49 1.02 0.95 -4.28 120.64 121.30 2pr6 n GLU 56 Ca 0.05 -0.70 -0.08 0.00 -0.02 0.00 0.00 57.16 56.41 2pr6 n GLU 56 Cb 0.36 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 2pr6 n GLU 56 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2pr6 n ILE 57 N -0.13 0.48 -1.66 -3.67 5.41 -0.82 -4.86 119.36 114.10 2pr6 n ILE 57 Ca 0.19 -0.08 -0.45 0.00 1.00 0.00 0.00 62.75 63.41 2pr6 n ILE 57 Cb 0.27 -1.62 -0.03 0.00 -0.71 0.00 0.00 39.64 37.55 2pr6 n ILE 57 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2pr6 n LEU 58 N -3.37 3.00 0.00 1.39 4.77 -0.60 -2.05 117.00 120.13 2pr6 n LEU 58 Ca -0.14 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.97 2pr6 n LEU 58 Cb 0.57 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 2pr6 n LEU 58 CO 0.01 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 2pr6 n GLY 59 N 2.42 1.34 3.92 -0.72 0.00 0.47 -4.92 105.19 107.70 2pr6 n GLY 59 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2pr6 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pr6 s LYS 60 N -0.70 3.47 0.26 1.61 1.02 -0.87 -4.70 119.74 119.84 2pr6 s LYS 60 Ca 0.00 -0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.28 2pr6 s LYS 60 Cb 0.00 -2.97 -0.09 0.00 -0.52 0.00 0.00 37.83 34.25 2pr6 s LYS 60 CO 0.00 0.54 1.18 1.21 -0.92 0.00 0.00 175.35 177.36 2pr6 s ASN 61 N -2.74 7.10 0.66 2.83 3.84 -1.26 -1.10 114.94 124.27 2pr6 s ASN 61 Ca 0.36 2.36 0.32 0.00 0.21 0.00 0.00 52.86 56.11 2pr6 s ASN 61 Cb -0.12 -2.63 1.75 0.00 -0.55 0.00 0.00 41.25 39.71 2pr6 s ASN 61 CO 0.28 -0.30 1.99 0.00 -2.79 0.00 0.00 177.10 176.27 2pr6 h ARG 63 N 0.00 0.00 0.00 0.00 0.11 -1.98 -2.69 114.38 109.82 2pr6 h ARG 63 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2pr6 h ARG 63 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 2pr6 h ARG 63 CO 0.00 0.00 0.12 0.27 0.10 0.00 0.00 179.97 180.46 2pr6 h PHE 64 N 0.00 0.00 -0.00 4.08 -0.00 -1.83 -0.72 116.94 118.47 2pr6 h PHE 64 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2pr6 h PHE 64 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.02 2pr6 h PHE 64 CO 0.00 0.00 -0.11 1.28 -0.00 0.00 0.00 178.31 179.48 2pr6 n LEU 65 N -2.57 0.28 -4.89 2.10 4.77 -1.02 -4.89 117.00 110.79 2pr6 n LEU 65 Ca -0.02 0.17 -0.30 0.00 -0.03 0.00 0.00 56.01 55.83 2pr6 n LEU 65 Cb 0.16 -0.28 0.04 0.00 -2.33 0.00 0.00 43.42 41.01 2pr6 n LEU 65 CO 0.13 0.06 0.71 -1.10 -1.33 0.00 0.00 177.39 175.85 2pr6 s GLN 66 N -2.66 3.05 0.00 3.23 -0.21 -0.28 0.07 119.66 122.85 2pr6 s GLN 66 Ca 0.24 0.46 0.00 0.00 0.02 0.00 0.00 55.36 56.08 2pr6 s GLN 66 Cb 0.20 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 32.13 2pr6 s GLN 66 CO 0.51 -0.87 0.00 0.41 -2.12 0.00 0.00 175.29 173.22 2pr6 n GLY 67 N -2.88 3.24 0.34 3.09 0.00 -1.26 -4.77 105.19 102.96 2pr6 n GLY 67 Ca 0.06 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.58 2pr6 n GLY 67 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2pr6 h LYS 68 N 0.00 1.00 -0.36 1.61 3.64 -1.97 -2.70 116.57 117.79 2pr6 h LYS 68 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2pr6 h LYS 68 Cb 0.00 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 2pr6 h LYS 68 CO 0.00 0.66 0.00 0.72 -2.27 0.00 0.00 179.45 178.56 2pr6 n HIS 69 N -4.59 0.90 -1.97 1.91 8.25 -1.26 -4.94 115.22 113.52 2pr6 n HIS 69 Ca 0.15 -0.70 -0.42 0.00 -0.26 0.00 0.00 57.72 56.49 2pr6 n HIS 69 Cb 0.22 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 2pr6 n HIS 69 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2pr6 s THR 70 N -2.03 2.91 -0.32 1.59 2.01 -1.02 -4.69 115.64 114.08 2pr6 s THR 70 Ca 0.37 0.54 -0.29 0.00 0.31 0.00 0.00 61.69 62.63 2pr6 s THR 70 Cb 0.27 -3.35 -0.01 0.00 0.01 0.00 0.00 72.50 69.42 2pr6 s THR 70 CO 0.14 0.02 1.53 -0.62 -0.69 0.00 0.00 174.62 175.00 2pr6 s ASP 71 N 1.69 6.31 0.47 3.53 -1.08 -1.26 -4.89 116.67 121.43 2pr6 s ASP 71 Ca 0.71 1.21 0.15 0.00 -0.52 0.00 0.00 52.55 54.09 2pr6 s ASP 71 Cb -0.41 -2.53 1.13 0.00 -1.46 0.00 0.00 42.92 39.65 2pr6 s ASP 71 CO 0.31 -1.39 2.06 1.55 0.52 0.00 0.00 175.17 178.23 2pr6 h PRO 72 N 10.93 0.23 -0.38 4.34 0.13 -1.98 -1.32 132.00 143.95 2pr6 h PRO 72 Ca -0.30 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.77 2pr6 h PRO 72 Cb 1.13 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2pr6 h PRO 72 CO 1.04 0.15 0.06 0.00 -0.23 0.00 0.00 178.00 179.02 2pr6 h ALA 73 N 1.82 1.40 0.07 -0.56 0.00 -1.99 0.86 119.26 120.87 2pr6 h ALA 73 Ca 0.14 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 2pr6 h ALA 73 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2pr6 h ALA 73 CO -0.03 0.43 -1.15 0.93 0.00 0.00 0.00 179.25 179.44 2pr6 h GLU 74 N 0.56 0.15 -0.22 0.00 4.39 -1.66 -2.10 114.58 115.69 2pr6 h GLU 74 Ca 0.13 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.60 2pr6 h GLU 74 Cb 0.26 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2pr6 h GLU 74 CO 0.00 1.12 0.05 0.28 -1.16 0.00 0.00 179.01 179.30 2pr6 h VAL 75 N 0.04 0.91 -0.50 3.13 2.07 -1.20 -1.16 116.25 119.54 2pr6 h VAL 75 Ca -0.08 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.48 2pr6 h VAL 75 Cb 1.89 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 32.32 2pr6 h VAL 75 CO 0.17 0.03 -0.01 0.44 0.02 0.00 0.00 177.57 178.22 2pr6 h ASP 76 N 0.14 -0.23 -0.06 0.57 3.32 -0.81 -1.42 116.42 117.93 2pr6 h ASP 76 Ca 0.10 0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 2pr6 h ASP 76 Cb 0.09 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2pr6 h ASP 76 CO -0.13 -0.08 -0.13 0.78 -1.72 0.00 0.00 179.24 177.96 2pr6 h ASN 77 N 0.11 0.37 -0.10 6.45 2.35 -1.05 -1.07 115.58 122.65 2pr6 h ASN 77 Ca 0.25 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2pr6 h ASN 77 Cb 0.38 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2pr6 h ASN 77 CO -0.42 0.54 0.02 0.40 -1.65 0.00 0.00 177.43 176.32 2pr6 h ILE 78 N 0.36 1.20 -0.47 2.81 2.04 -0.94 -1.82 117.51 120.70 2pr6 h ILE 78 Ca 0.07 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.34 2pr6 h ILE 78 Cb 0.46 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 2pr6 h ILE 78 CO 0.03 0.18 0.24 -0.09 0.00 0.00 0.00 178.15 178.51 2pr6 h ARG 79 N -0.06 0.47 0.39 2.37 2.43 -0.78 0.54 114.38 119.75 2pr6 h ARG 79 Ca 0.03 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2pr6 h ARG 79 Cb 0.26 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2pr6 h ARG 79 CO 0.00 0.31 -0.19 1.15 -1.51 0.00 0.00 179.97 179.73 2pr6 h THR 80 N 0.48 0.61 -0.62 0.20 2.02 -1.24 -0.68 112.91 113.68 2pr6 h THR 80 Ca 0.20 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.51 2pr6 h THR 80 Cb 0.10 0.61 -0.11 0.00 -1.74 0.00 0.00 68.15 67.00 2pr6 h THR 80 CO -0.13 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.66 2pr6 h ALA 81 N 0.08 0.49 -0.60 6.16 0.00 -0.88 -0.09 119.26 124.41 2pr6 h ALA 81 Ca -0.05 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2pr6 h ALA 81 Cb 0.41 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2pr6 h ALA 81 CO 0.08 -0.42 0.13 -0.07 0.00 0.00 0.00 179.25 178.98 2pr6 h LEU 82 N 0.04 0.93 -1.23 0.00 3.38 -0.68 0.19 115.31 117.93 2pr6 h LEU 82 Ca 0.31 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 58.12 2pr6 h LEU 82 Cb 0.49 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 2pr6 h LEU 82 CO -0.60 0.93 0.56 1.56 0.09 0.00 0.00 178.44 180.99 2pr6 h GLN 83 N 0.89 0.86 -0.08 1.13 4.20 -0.41 -2.60 115.11 119.10 2pr6 h GLN 83 Ca 0.19 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2pr6 h GLN 83 Cb 0.38 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2pr6 h GLN 83 CO 0.01 0.57 0.00 0.09 -0.67 0.00 0.00 178.83 178.82 2pr6 n ASN 84 N -4.51 2.56 -3.85 1.46 3.02 -0.11 -4.95 115.26 108.88 2pr6 n ASN 84 Ca 0.14 -1.85 -0.25 0.00 -0.03 0.00 0.00 54.58 52.60 2pr6 n ASN 84 Cb 0.27 -0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 2pr6 n ASN 84 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pr6 n LYS 85 N 0.98 -4.31 -4.48 3.52 5.02 0.53 -4.99 118.16 114.43 2pr6 n LYS 85 Ca 0.16 0.52 -0.34 0.00 -2.02 0.00 0.00 58.31 56.63 2pr6 n LYS 85 Cb 0.52 -4.98 -0.11 0.00 -0.02 0.00 0.00 35.03 30.44 2pr6 n LYS 85 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2pr6 s GLU 86 N -6.33 3.07 0.40 1.97 0.41 -0.45 -4.81 118.70 112.95 2pr6 s GLU 86 Ca 0.14 -0.49 -0.27 0.00 -0.41 0.00 0.00 54.97 53.94 2pr6 s GLU 86 Cb -0.07 -2.74 -0.09 0.00 -1.78 0.00 0.00 34.13 29.44 2pr6 s GLU 86 CO 0.85 0.57 1.40 -2.14 -0.49 0.00 0.00 175.26 175.45 2pr6 s PRO 87 N -0.53 3.97 0.01 0.39 0.02 -1.26 -4.54 135.00 133.07 2pr6 s PRO 87 Ca 0.08 2.38 0.01 0.00 0.02 0.00 0.00 61.00 63.49 2pr6 s PRO 87 Cb -0.12 -2.83 -0.01 0.00 0.02 0.00 0.00 34.50 31.56 2pr6 s PRO 87 CO 0.02 -0.57 -0.04 0.54 -0.33 0.00 0.00 177.00 176.62 2pr6 s VAL 88 N -1.18 0.30 -0.06 3.83 0.11 -0.74 -4.98 120.40 117.68 2pr6 s VAL 88 Ca 0.56 -0.46 0.04 0.00 -2.93 0.00 0.00 61.98 59.18 2pr6 s VAL 88 Cb -0.43 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 2pr6 s VAL 88 CO 0.56 -0.11 -0.17 -0.89 -3.33 0.00 0.00 175.10 171.16 2pr6 s THR 89 N -0.57 1.44 -0.06 5.04 2.01 -1.26 -0.04 115.64 122.21 2pr6 s THR 89 Ca -0.04 -0.70 -0.18 0.00 0.31 0.00 0.00 61.69 61.08 2pr6 s THR 89 Cb -0.04 -1.26 0.04 0.00 0.01 0.00 0.00 72.50 71.24 2pr6 s THR 89 CO -0.00 0.42 0.42 0.54 -0.69 0.00 0.00 174.62 175.30 2pr6 s VAL 90 N 0.25 0.03 -0.22 3.82 0.11 -0.13 -4.99 120.40 119.27 2pr6 s VAL 90 Ca -0.09 -0.27 -0.12 0.00 -2.93 0.00 0.00 61.98 58.57 2pr6 s VAL 90 Cb -0.14 -0.69 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 2pr6 s VAL 90 CO 0.04 -0.15 0.24 -1.10 -3.33 0.00 0.00 175.10 170.80 2pr6 s GLN 91 N -0.93 4.12 0.02 1.54 -0.21 -1.26 -0.45 119.66 122.49 2pr6 s GLN 91 Ca -0.10 -0.09 0.02 0.00 0.02 0.00 0.00 55.36 55.21 2pr6 s GLN 91 Cb -0.04 -3.53 -0.02 0.00 1.00 0.00 0.00 33.01 30.43 2pr6 s GLN 91 CO 0.05 0.05 -0.08 -1.50 -2.12 0.00 0.00 175.29 171.68 2pr6 s ILE 92 N 1.08 0.59 -0.02 1.08 2.07 -0.11 -4.94 121.20 120.95 2pr6 s ILE 92 Ca 0.12 -0.72 -0.30 0.00 -1.41 0.00 0.00 60.65 58.34 2pr6 s ILE 92 Cb -0.14 -0.57 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 2pr6 s ILE 92 CO 0.05 -0.11 1.06 -1.10 -1.91 0.00 0.00 174.94 172.93 2pr6 s GLN 93 N -0.91 4.47 0.27 3.50 -0.21 -1.26 -0.61 119.66 124.91 2pr6 s GLN 93 Ca -0.03 1.51 0.03 0.00 0.02 0.00 0.00 55.36 56.90 2pr6 s GLN 93 Cb -0.06 -3.47 -0.06 0.00 1.00 0.00 0.00 33.01 30.42 2pr6 s GLN 93 CO 0.00 -0.21 0.03 -0.80 -2.12 0.00 0.00 175.29 172.20 2pr6 s ASN 94 N 1.10 2.00 -0.03 5.90 0.02 -0.20 -4.39 114.94 119.35 2pr6 s ASN 94 Ca 0.53 -1.30 0.01 0.00 -1.02 0.00 0.00 52.86 51.08 2pr6 s ASN 94 Cb -0.22 -0.02 0.01 0.00 0.02 0.00 0.00 41.25 41.05 2pr6 s ASN 94 CO 0.25 -0.57 -0.05 -0.31 0.02 0.00 0.00 177.10 176.44 2pr6 s TYR 95 N -3.39 0.69 0.84 2.20 2.02 0.11 -0.97 117.35 118.84 2pr6 s TYR 95 Ca 0.33 -0.17 -0.12 0.00 -0.37 0.00 0.00 57.07 56.75 2pr6 s TYR 95 Cb 0.07 -0.57 0.09 0.00 -0.40 0.00 0.00 41.96 41.15 2pr6 s TYR 95 CO 0.12 -0.13 1.10 0.15 -1.57 0.00 0.00 175.55 175.22 2pr6 s LYS 96 N 0.60 1.74 0.36 -0.62 1.02 -0.27 -4.78 119.74 117.80 2pr6 s LYS 96 Ca -0.08 0.60 0.12 0.00 0.02 0.00 0.00 55.97 56.63 2pr6 s LYS 96 Cb -0.11 -1.88 0.90 0.00 -0.52 0.00 0.00 37.83 36.22 2pr6 s LYS 96 CO 0.00 -1.85 1.83 -0.22 -0.92 0.00 0.00 175.35 174.19 2pr6 h LYS 97 N -1.26 0.58 -0.00 1.68 3.64 -1.11 0.50 116.57 120.60 2pr6 h LYS 97 Ca -0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2pr6 h LYS 97 Cb 1.28 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2pr6 h LYS 97 CO 0.59 0.38 0.00 -0.40 -2.27 0.00 0.00 179.45 177.75 2pr6 n ASP 98 N -4.61 0.01 0.00 4.20 5.68 -1.26 -4.89 116.55 115.67 2pr6 n ASP 98 Ca 0.21 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 2pr6 n ASP 98 Cb 0.61 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 2pr6 n ASP 98 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pr6 n GLY 99 N 0.79 0.64 3.70 6.12 0.00 0.17 -5.03 105.19 111.57 2pr6 n GLY 99 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2pr6 n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pr6 s THR 100 N -2.26 2.82 0.35 2.61 2.01 -1.26 -4.65 115.64 115.26 2pr6 s THR 100 Ca 0.00 0.36 -0.26 0.00 0.31 0.00 0.00 61.69 62.10 2pr6 s THR 100 Cb 0.00 -3.23 -0.09 0.00 0.01 0.00 0.00 72.50 69.19 2pr6 s THR 100 CO 0.00 0.00 1.06 -0.32 -0.69 0.00 0.00 174.62 174.67 2pr6 s MET 101 N 2.39 4.38 0.01 4.92 1.75 -1.26 -1.11 119.30 130.37 2pr6 s MET 101 Ca 0.75 1.60 -0.05 0.00 -1.25 0.00 0.00 55.69 56.74 2pr6 s MET 101 Cb -0.42 -2.81 -0.01 0.00 2.84 0.00 0.00 34.83 34.43 2pr6 s MET 101 CO 0.33 0.03 0.09 -0.59 -0.65 0.00 0.00 175.02 174.23 2pr6 s PHE 102 N -1.46 0.12 -0.19 4.11 -0.71 -0.14 -4.94 117.98 114.76 2pr6 s PHE 102 Ca 0.52 -0.28 -0.25 0.00 -1.04 0.00 0.00 56.93 55.88 2pr6 s PHE 102 Cb -0.25 -0.10 -0.01 0.00 -1.21 0.00 0.00 43.02 41.45 2pr6 s PHE 102 CO 0.32 -0.27 0.85 -1.58 -1.34 0.00 0.00 175.22 173.20 2pr6 s TRP 103 N -1.56 3.38 -0.29 3.49 0.52 -1.26 -1.04 118.94 122.18 2pr6 s TRP 103 Ca -0.14 1.24 -0.05 0.00 0.02 0.00 0.00 56.10 57.18 2pr6 s TRP 103 Cb -0.07 -3.05 0.03 0.00 -1.15 0.00 0.00 33.47 29.23 2pr6 s TRP 103 CO 0.00 -0.30 0.04 1.21 0.02 0.00 0.00 176.95 177.92 2pr6 s ASN 104 N 1.21 4.92 -0.46 2.95 3.84 0.22 -1.61 114.94 126.01 2pr6 s ASN 104 Ca 0.38 -0.92 -0.24 0.00 0.21 0.00 0.00 52.86 52.28 2pr6 s ASN 104 Cb -0.16 -1.80 0.03 0.00 -0.55 0.00 0.00 41.25 38.77 2pr6 s ASN 104 CO 0.11 -0.21 0.86 -0.70 -2.79 0.00 0.00 177.10 174.36 2pr6 s GLU 105 N 1.40 3.47 -0.18 0.43 2.12 0.15 -0.93 118.70 125.15 2pr6 s GLU 105 Ca -0.00 0.03 -0.05 0.00 0.36 0.00 0.00 54.97 55.32 2pr6 s GLU 105 Cb -0.18 -3.93 -0.03 0.00 0.26 0.00 0.00 34.13 30.25 2pr6 s GLU 105 CO 0.00 -1.18 -0.01 -1.17 -0.54 0.00 0.00 175.26 172.37 2pr6 s LEU 106 N 3.54 3.32 -0.14 2.70 2.96 0.40 -0.96 118.68 130.50 2pr6 s LEU 106 Ca 0.34 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 2pr6 s LEU 106 Cb -0.11 -1.83 0.00 0.00 0.50 0.00 0.00 46.19 44.76 2pr6 s LEU 106 CO 0.25 0.11 -0.19 0.21 -1.32 0.00 0.00 176.35 175.41 2pr6 s ASN 107 N 0.70 3.40 -0.08 3.68 3.84 -0.12 -0.96 114.94 125.40 2pr6 s ASN 107 Ca -0.00 -0.53 0.03 0.00 0.21 0.00 0.00 52.86 52.57 2pr6 s ASN 107 Cb -0.14 -1.50 -0.01 0.00 -0.55 0.00 0.00 41.25 39.04 2pr6 s ASN 107 CO 0.02 0.09 -0.19 -0.63 -2.79 0.00 0.00 177.10 173.60 2pr6 s ILE 108 N 0.76 2.56 -0.16 -5.21 1.01 0.94 -0.89 121.20 120.22 2pr6 s ILE 108 Ca -0.07 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.72 2pr6 s ILE 108 Cb -0.16 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.33 2pr6 s ILE 108 CO 0.00 0.56 -0.17 -0.62 0.00 0.00 0.00 174.94 174.71 2pr6 s ASP 109 N -0.05 2.86 0.39 3.58 2.15 0.15 -1.79 116.67 123.95 2pr6 s ASP 109 Ca -0.05 -0.55 -0.26 0.00 0.43 0.00 0.00 52.55 52.13 2pr6 s ASP 109 Cb -0.14 -1.30 -0.09 0.00 -0.30 0.00 0.00 42.92 41.09 2pr6 s ASP 109 CO 0.04 -0.02 1.15 -2.16 -0.17 0.00 0.00 175.17 174.02 2pr6 s PRO 110 N 1.33 4.13 0.28 4.34 0.04 -1.26 -0.91 135.00 142.95 2pr6 s PRO 110 Ca 0.03 1.81 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 2pr6 s PRO 110 Cb -0.13 -2.72 0.01 0.00 0.04 0.00 0.00 34.50 31.70 2pr6 s PRO 110 CO -0.10 -0.25 0.57 0.00 0.04 0.00 0.00 177.00 177.27 2pr6 s MET 111 N -2.23 1.70 -0.02 4.56 0.23 0.40 -4.92 119.30 119.02 2pr6 s MET 111 Ca 0.56 -1.23 0.06 0.00 -1.03 0.00 0.00 55.69 54.05 2pr6 s MET 111 Cb -0.30 0.52 -0.01 0.00 -1.53 0.00 0.00 34.83 33.51 2pr6 s MET 111 CO 0.38 -0.74 -0.19 -1.21 -2.03 0.00 0.00 175.02 171.23 2pr6 s GLU 112 N -3.78 1.60 0.00 3.16 2.02 -1.26 -0.38 118.70 120.06 2pr6 s GLU 112 Ca 0.19 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.50 2pr6 s GLU 112 Cb -0.03 -1.52 0.00 0.00 0.10 0.00 0.00 34.13 32.69 2pr6 s GLU 112 CO 0.09 0.39 0.00 -0.89 0.02 0.00 0.00 175.26 174.87 2pr6 n ILE 113 N 2.69 0.00 -1.11 -1.63 5.41 -0.12 -4.84 119.36 119.76 2pr6 n ILE 113 Ca -0.15 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.43 2pr6 n ILE 113 Cb 0.53 -0.51 -0.08 0.00 -0.71 0.00 0.00 39.64 38.88 2pr6 n ILE 113 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2pr6 n GLU 114 N -0.70 2.00 -2.85 0.38 4.07 -1.26 -4.42 120.64 117.86 2pr6 n GLU 114 Ca 0.00 -1.46 -0.13 0.00 -0.06 0.00 0.00 57.16 55.51 2pr6 n GLU 114 Cb 0.00 -1.88 -0.01 0.00 -0.06 0.00 0.00 31.44 29.49 2pr6 n GLU 114 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2pr6 n ASP 115 N 1.48 -2.75 -4.31 4.31 8.00 -1.26 -5.00 116.55 117.03 2pr6 n ASP 115 Ca 0.38 0.04 -0.26 0.00 0.71 0.00 0.00 54.79 55.66 2pr6 n ASP 115 Cb 0.69 -2.37 -0.13 0.00 -0.02 0.00 0.00 41.12 39.29 2pr6 n ASP 115 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2pr6 s LYS 116 N -5.43 1.30 0.09 -1.24 1.02 -1.26 -5.11 119.74 109.10 2pr6 s LYS 116 Ca 0.16 -1.15 -0.25 0.00 0.02 0.00 0.00 55.97 54.75 2pr6 s LYS 116 Cb -0.09 -1.57 -0.06 0.00 -0.52 0.00 0.00 37.83 35.58 2pr6 s LYS 116 CO 0.20 0.38 0.77 0.99 -0.92 0.00 0.00 175.35 176.78 2pr6 s THR 117 N -1.03 4.59 0.28 2.17 2.01 -1.26 -0.95 115.64 121.46 2pr6 s THR 117 Ca 0.09 1.67 0.03 0.00 0.31 0.00 0.00 61.69 63.78 2pr6 s THR 117 Cb -0.10 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.23 2pr6 s THR 117 CO 0.04 0.42 0.07 -0.31 -0.69 0.00 0.00 174.62 174.15 2pr6 s TYR 118 N -0.46 1.71 -0.08 4.92 2.02 0.49 -4.38 117.35 121.58 2pr6 s TYR 118 Ca 0.38 -1.05 0.04 0.00 -0.37 0.00 0.00 57.07 56.07 2pr6 s TYR 118 Cb -0.22 -1.05 -0.01 0.00 -0.40 0.00 0.00 41.96 40.28 2pr6 s TYR 118 CO 0.24 -0.15 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.79 2pr6 s PHE 119 N -3.52 2.54 -0.17 2.71 0.08 -1.11 -0.45 117.98 118.05 2pr6 s PHE 119 Ca 0.36 -0.80 -0.05 0.00 0.12 0.00 0.00 56.93 56.56 2pr6 s PHE 119 Cb 0.08 -1.67 -0.03 0.00 -0.57 0.00 0.00 43.02 40.83 2pr6 s PHE 119 CO 0.14 -0.27 -0.01 0.08 -0.10 0.00 0.00 175.22 175.06 2pr6 s VAL 120 N 0.05 4.01 -0.04 -0.44 1.01 -0.09 -1.49 120.40 123.41 2pr6 s VAL 120 Ca -0.09 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.64 2pr6 s VAL 120 Cb -0.15 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 2pr6 s VAL 120 CO 0.06 0.47 -0.20 -0.83 0.00 0.00 0.00 175.10 174.59 2pr6 s GLY 121 N 0.59 1.41 -0.11 4.51 0.00 0.38 -0.68 107.32 113.42 2pr6 s GLY 121 Ca -0.01 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 43.70 2pr6 s GLY 121 CO 0.02 -0.80 -0.22 -0.42 0.00 0.00 0.00 173.10 171.68 2pr6 s ILE 122 N -0.59 1.98 -0.04 0.90 1.01 -0.07 -1.02 121.20 123.37 2pr6 s ILE 122 Ca 0.09 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.84 2pr6 s ILE 122 Cb -0.11 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 2pr6 s ILE 122 CO 0.00 0.54 -0.23 -1.10 0.00 0.00 0.00 174.94 174.15 2pr6 s GLN 123 N 0.50 2.17 -0.11 2.79 1.11 0.12 -0.95 119.66 125.29 2pr6 s GLN 123 Ca -0.15 -0.83 0.01 0.00 0.01 0.00 0.00 55.36 54.39 2pr6 s GLN 123 Cb -0.17 -1.94 0.02 0.00 -1.01 0.00 0.00 33.01 29.90 2pr6 s GLN 123 CO 0.06 0.41 -0.14 -0.80 0.01 0.00 0.00 175.29 174.83 2pr6 s ASN 124 N -0.29 2.41 -0.96 5.90 -0.87 -0.13 -0.81 114.94 120.20 2pr6 s ASN 124 Ca 0.01 -0.42 -0.24 0.00 -1.57 0.00 0.00 52.86 50.65 2pr6 s ASN 124 Cb -0.12 -1.06 0.01 0.00 -0.02 0.00 0.00 41.25 40.06 2pr6 s ASN 124 CO 0.02 -0.01 1.63 -0.62 -2.57 0.00 0.00 177.10 175.55 2pr6 s ASP 125 N 1.12 5.97 0.36 -1.22 -1.08 -1.26 -0.68 116.67 119.87 2pr6 s ASP 125 Ca -0.04 -1.09 0.13 0.00 -0.52 0.00 0.00 52.55 51.03 2pr6 s ASP 125 Cb -0.14 -2.56 0.67 0.00 -1.46 0.00 0.00 42.92 39.42 2pr6 s ASP 125 CO -0.03 -1.99 1.78 0.40 0.52 0.00 0.00 175.17 175.84 2pr6 h ILE 126 N 6.94 1.24 0.07 4.11 1.08 -1.69 -1.21 117.51 128.06 2pr6 h ILE 126 Ca 0.14 -1.46 -0.00 0.00 -0.39 0.00 0.00 64.86 63.14 2pr6 h ILE 126 Cb 1.01 1.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.56 2pr6 h ILE 126 CO 1.34 0.41 -0.03 0.74 -0.69 0.00 0.00 178.15 179.91 2pr6 h THR 127 N 0.00 1.08 -0.41 -0.27 2.02 -1.88 -2.42 112.91 111.04 2pr6 h THR 127 Ca -0.00 -0.54 -0.08 0.00 0.77 0.00 0.00 66.41 66.55 2pr6 h THR 127 Cb 0.76 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 2pr6 h THR 127 CO 0.05 0.14 -0.05 0.50 0.37 0.00 0.00 175.52 176.53 2pr6 h LYS 128 N -0.34 0.76 -0.54 6.66 3.64 -1.88 -1.94 116.57 122.93 2pr6 h LYS 128 Ca -0.01 -0.27 0.04 0.00 -1.27 0.00 0.00 60.65 59.14 2pr6 h LYS 128 Cb 0.30 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 2pr6 h LYS 128 CO 0.02 0.87 0.29 0.37 -2.27 0.00 0.00 179.45 178.72 2pr6 h GLN 129 N 0.58 0.54 -0.63 1.90 4.15 -1.22 -0.05 115.11 120.39 2pr6 h GLN 129 Ca 0.11 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.52 2pr6 h GLN 129 Cb 0.56 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 2pr6 h GLN 129 CO 0.03 0.36 0.40 0.87 -1.93 0.00 0.00 178.83 178.56 2pr6 h LYS 130 N 0.56 0.76 -0.54 1.69 1.57 -1.40 -1.22 116.57 118.00 2pr6 h LYS 130 Ca 0.23 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2pr6 h LYS 130 Cb 0.11 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2pr6 h LYS 130 CO -0.14 0.51 0.32 0.93 -0.57 0.00 0.00 179.45 180.49 2pr6 h GLU 131 N 0.79 0.74 0.00 3.15 5.08 -0.41 -1.67 114.58 122.26 2pr6 h GLU 131 Ca 0.25 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.35 2pr6 h GLU 131 Cb -0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2pr6 h GLU 131 CO -0.09 0.54 -0.85 1.88 -1.00 0.00 0.00 179.01 179.49 2pr6 h TYR 132 N 0.72 0.16 -0.07 4.33 -1.99 -0.95 -2.30 116.97 116.88 2pr6 h TYR 132 Ca 0.19 -0.09 -0.11 0.00 2.00 0.00 0.00 58.73 60.72 2pr6 h TYR 132 Cb 0.00 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.70 2pr6 h TYR 132 CO -0.02 0.91 -0.45 0.93 -0.00 0.00 0.00 178.16 179.52 2pr6 h GLU 133 N 0.06 0.17 -0.04 4.88 5.08 -1.04 -2.71 114.58 120.99 2pr6 h GLU 133 Ca -0.03 -0.09 -0.18 0.00 -1.00 0.00 0.00 59.36 58.06 2pr6 h GLU 133 Cb 1.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2pr6 h GLU 133 CO 0.12 0.59 -0.77 -0.22 -1.00 0.00 0.00 179.01 177.73 2pr6 h LYS 134 N 0.14 0.28 -0.61 2.33 3.64 -1.09 -0.31 116.57 120.95 2pr6 h LYS 134 Ca 0.01 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.08 2pr6 h LYS 134 Cb 0.85 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 2pr6 h LYS 134 CO 0.07 0.92 0.16 -0.07 -2.27 0.00 0.00 179.45 178.26 2pr6 h LEU 135 N 0.18 0.92 -0.04 5.20 3.38 -1.32 0.19 115.31 123.82 2pr6 h LEU 135 Ca -0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2pr6 h LEU 135 Cb 1.36 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2pr6 h LEU 135 CO 0.12 0.90 -0.01 0.25 0.09 0.00 0.00 178.44 179.80 2pr6 h LEU 136 N 0.89 0.08 -0.68 1.67 5.85 -1.44 -0.87 115.31 120.82 2pr6 h LEU 136 Ca 0.19 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.63 2pr6 h LEU 136 Cb 0.33 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.23 2pr6 h LEU 136 CO -0.00 0.43 -0.52 -0.08 -0.34 0.00 0.00 178.44 177.93 2pr6 h GLU 137 N -0.26 -0.19 -0.22 1.25 4.57 -0.92 -0.45 114.58 118.35 2pr6 h GLU 137 Ca 0.01 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 2pr6 h GLU 137 Cb 0.39 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2pr6 h GLU 137 CO 0.00 -0.13 -0.15 -0.44 -1.18 0.00 0.00 179.01 177.11 2pr6 h ASP 138 N -0.20 0.36 -0.14 1.04 3.32 -0.56 -1.54 116.42 118.70 2pr6 h ASP 138 Ca 0.15 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2pr6 h ASP 138 Cb 0.53 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2pr6 h ASP 138 CO -0.76 0.54 0.03 0.28 -1.72 0.00 0.00 179.24 177.62 2pr6 h SER 139 N 0.35 0.22 -0.08 6.45 0.02 -0.70 -2.32 113.55 117.48 2pr6 h SER 139 Ca 0.07 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.72 2pr6 h SER 139 Cb 0.48 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2pr6 h SER 139 CO 0.03 0.40 -0.12 0.25 -1.14 0.00 0.00 176.83 176.24 2pr6 h LEU 140 N 0.03 0.39 0.04 5.07 6.46 -0.84 -1.83 115.31 124.62 2pr6 h LEU 140 Ca 0.04 -0.09 0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2pr6 h LEU 140 Cb 0.27 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 2pr6 h LEU 140 CO 0.00 0.55 -0.13 0.74 -0.62 0.00 0.00 178.44 178.98 2pr6 h THR 141 N 0.38 0.69 -0.12 1.05 2.02 -1.25 -3.08 112.91 112.60 2pr6 h THR 141 Ca 0.07 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.29 2pr6 h THR 141 Cb 0.45 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 2pr6 h THR 141 CO 0.03 0.00 0.14 -0.33 0.37 0.00 0.00 175.52 175.73 2pr6 h GLU 142 N -0.24 0.00 -0.10 6.66 5.08 -0.76 0.14 114.58 125.37 2pr6 h GLU 142 Ca 0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 2pr6 h GLU 142 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2pr6 h GLU 142 CO -0.10 0.00 -0.40 -0.84 -1.00 0.00 0.00 179.01 176.67 2pr6 h ILE 143 N 0.00 1.30 0.00 3.13 -0.00 -1.40 -3.52 117.51 117.03 2pr6 h ILE 143 Ca 0.06 -1.48 0.00 0.00 -0.00 0.00 0.00 64.86 63.44 2pr6 h ILE 143 Cb 0.34 1.68 0.00 0.00 -0.00 0.00 0.00 36.82 38.84 2pr6 h ILE 143 CO -0.00 0.44 0.00 1.07 -0.00 0.00 0.00 178.15 179.66