#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sr6 n GLN 14 N 0.00 0.54 -0.00 -0.52 -0.00 -1.26 -4.56 117.38 111.58 1sr6 n GLN 14 Ca 0.00 0.49 0.09 0.00 -0.00 0.00 0.00 57.00 57.58 1sr6 n GLN 14 Cb 0.00 -1.67 -0.10 0.00 -0.00 0.00 0.00 30.24 28.46 1sr6 n GLN 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1sr6 n LYS 15 N -4.45 1.03 -0.07 2.61 0.00 -1.26 -3.85 118.16 112.17 1sr6 n LYS 15 Ca -0.29 -0.00 -0.15 0.00 0.00 0.00 0.00 58.31 57.88 1sr6 n LYS 15 Cb 0.60 -1.35 -0.05 0.00 0.00 0.00 0.00 35.03 34.23 1sr6 n LYS 15 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1sr6 h GLN 16 N 0.00 0.72 0.00 1.64 4.20 -1.96 0.87 115.11 120.57 1sr6 h GLN 16 Ca 0.00 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.25 1sr6 h GLN 16 Cb 0.43 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1sr6 h GLN 16 CO 0.00 1.07 -0.04 0.82 -0.67 0.00 0.00 178.83 180.01 1sr6 h ILE 17 N 0.44 0.43 0.01 2.54 2.04 -1.80 1.51 117.51 122.67 1sr6 h ILE 17 Ca 0.01 -0.20 -0.31 0.00 1.00 0.00 0.00 64.86 65.36 1sr6 h ILE 17 Cb 1.04 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 1sr6 h ILE 17 CO 0.10 0.04 -1.87 1.67 0.00 0.00 0.00 178.15 178.09 1sr6 n GLN 18 N -3.61 0.65 0.18 2.37 -0.06 -0.85 -3.66 117.38 112.39 1sr6 n GLN 18 Ca -0.02 0.23 0.12 0.00 -2.00 0.00 0.00 57.00 55.33 1sr6 n GLN 18 Cb 0.14 -1.73 0.16 0.00 -4.06 0.00 0.00 30.24 24.75 1sr6 n GLN 18 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1sr6 h GLU 19 N 0.00 0.00 0.41 3.69 4.81 0.20 -3.03 114.58 120.66 1sr6 h GLU 19 Ca -0.35 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.86 1sr6 h GLU 19 Cb 2.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.45 1sr6 h GLU 19 CO 0.07 0.00 -0.20 1.98 -0.73 0.00 0.00 179.01 180.13 1sr6 h MET 20 N 0.00 -0.53 -0.95 1.92 4.05 0.20 0.13 114.93 119.75 1sr6 h MET 20 Ca 0.00 0.04 0.21 0.00 -0.28 0.00 0.00 59.70 59.67 1sr6 h MET 20 Cb 0.97 0.12 -0.12 0.00 -0.80 0.00 0.00 31.60 31.77 1sr6 h MET 20 CO 0.00 -0.24 0.51 -0.22 0.23 0.00 0.00 176.91 177.19 1sr6 h LYS 21 N -0.78 0.56 -0.09 0.39 1.63 -1.62 2.48 116.57 119.13 1sr6 h LYS 21 Ca -0.06 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1sr6 h LYS 21 Cb 0.53 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1sr6 h LYS 21 CO 0.09 0.37 0.00 0.39 -3.45 0.00 0.00 179.45 176.85 1sr6 n GLU 22 N -4.90 1.41 0.00 1.90 -0.58 -0.96 -1.96 120.64 115.54 1sr6 n GLU 22 Ca 0.23 -0.61 0.00 0.00 -0.42 0.00 0.00 57.16 56.36 1sr6 n GLU 22 Cb 0.63 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 1sr6 n GLU 22 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sr6 n ALA 23 N -0.18 1.31 -0.59 0.62 0.00 0.91 -4.23 120.51 118.36 1sr6 n ALA 23 Ca 0.15 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.54 1sr6 n ALA 23 Cb 0.21 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.94 1sr6 n ALA 23 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sr6 n PHE 24 N -0.33 1.07 -1.17 0.00 7.35 0.80 -3.81 117.46 121.37 1sr6 n PHE 24 Ca 0.00 -0.65 -0.00 0.00 -0.76 0.00 0.00 57.45 56.04 1sr6 n PHE 24 Cb 0.05 -0.20 0.24 0.00 0.35 0.00 0.00 39.48 39.92 1sr6 n PHE 24 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1sr6 n SER 25 N 0.56 3.59 0.00 -2.13 2.88 -0.83 -4.08 113.62 113.61 1sr6 n SER 25 Ca 0.21 -3.35 0.00 0.00 -1.33 0.00 0.00 58.87 54.40 1sr6 n SER 25 Cb 0.76 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1sr6 n SER 25 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1sr6 n MET 26 N -0.69 0.00 0.00 -1.46 2.81 -1.25 -4.73 117.12 111.80 1sr6 n MET 26 Ca 0.31 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 56.22 1sr6 n MET 26 Cb 1.08 -0.39 0.10 0.00 -0.71 0.00 0.00 33.22 33.31 1sr6 n MET 26 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1sr6 n ILE 27 N -1.30 1.05 -3.07 2.02 5.41 -1.25 -2.85 119.36 119.37 1sr6 n ILE 27 Ca 0.00 0.26 -0.40 0.00 1.00 0.00 0.00 62.75 63.62 1sr6 n ILE 27 Cb 0.00 -1.19 -0.01 0.00 -0.71 0.00 0.00 39.64 37.73 1sr6 n ILE 27 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1sr6 n ASP 28 N -1.31 5.94 -0.24 4.38 2.03 -1.26 -4.81 116.55 121.29 1sr6 n ASP 28 Ca 0.02 -3.43 0.10 0.00 0.52 0.00 0.00 54.79 51.99 1sr6 n ASP 28 Cb 0.03 -1.15 0.47 0.00 -0.72 0.00 0.00 41.12 39.76 1sr6 n ASP 28 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1sr6 n VAL 29 N 1.18 0.09 -0.86 5.18 0.31 -1.13 -2.82 118.33 120.28 1sr6 n VAL 29 Ca 0.27 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1sr6 n VAL 29 Cb 0.34 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 1sr6 n VAL 29 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1sr6 n ASP 30 N -0.31 0.18 -2.61 4.52 5.68 -1.26 -5.09 116.55 117.66 1sr6 n ASP 30 Ca 0.15 -1.03 -0.25 0.00 -0.50 0.00 0.00 54.79 53.15 1sr6 n ASP 30 Cb 0.18 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.18 1sr6 n ASP 30 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1sr6 n ARG 31 N -0.02 -1.22 0.00 0.11 -4.01 -1.13 -4.96 116.66 105.44 1sr6 n ARG 31 Ca 0.00 0.90 0.00 0.00 -1.04 0.00 0.00 57.85 57.72 1sr6 n ARG 31 Cb 0.27 -1.26 -0.01 0.00 -3.04 0.00 0.00 32.46 28.42 1sr6 n ARG 31 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1sr6 n ASP 32 N 0.26 0.08 0.00 2.89 5.75 -1.26 -4.97 116.55 119.30 1sr6 n ASP 32 Ca -0.06 -0.54 0.00 0.00 -0.01 0.00 0.00 54.79 54.18 1sr6 n ASP 32 Cb 0.44 0.97 0.00 0.00 -1.03 0.00 0.00 41.12 41.50 1sr6 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sr6 n GLY 33 N 0.99 0.56 3.32 6.12 0.00 -1.26 -5.00 105.19 109.92 1sr6 n GLY 33 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1sr6 n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sr6 s PHE 34 N -2.21 1.53 0.00 1.61 0.40 -1.26 -4.66 117.98 113.39 1sr6 s PHE 34 Ca 0.00 -0.82 0.00 0.00 -0.60 0.00 0.00 56.93 55.51 1sr6 s PHE 34 Cb 0.00 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.69 1sr6 s PHE 34 CO 0.00 0.07 0.00 0.28 0.70 0.00 0.00 175.22 176.27 1sr6 n VAL 35 N -0.37 0.00 0.00 -0.44 0.31 -1.26 -4.84 118.33 111.73 1sr6 n VAL 35 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1sr6 n VAL 35 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 1sr6 n VAL 35 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1sr6 n SER 36 N 0.00 0.00 -0.34 4.52 2.88 -1.26 -4.93 113.62 114.49 1sr6 n SER 36 Ca 0.00 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.74 1sr6 n SER 36 Cb 0.00 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 63.88 1sr6 n SER 36 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1sr6 h LYS 37 N 0.00 0.48 0.09 -1.46 1.57 -2.00 -1.15 116.57 114.10 1sr6 h LYS 37 Ca 0.00 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.44 1sr6 h LYS 37 Cb 0.00 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1sr6 h LYS 37 CO 0.00 0.32 -1.64 0.93 -0.57 0.00 0.00 179.45 178.48 1sr6 h GLU 38 N 0.49 0.20 -1.28 3.15 5.08 -2.01 -3.39 114.58 116.82 1sr6 h GLU 38 Ca 0.68 -0.34 0.42 0.00 -1.00 0.00 0.00 59.36 59.11 1sr6 h GLU 38 Cb 1.39 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 30.66 1sr6 h GLU 38 CO -0.52 1.16 0.85 -3.47 -1.00 0.00 0.00 179.01 176.04 1sr6 n ASP 39 N -3.85 0.13 -0.05 1.42 4.64 -0.46 -0.57 116.55 117.82 1sr6 n ASP 39 Ca -0.30 1.07 -0.14 0.00 -1.38 0.00 0.00 54.79 54.04 1sr6 n ASP 39 Cb 0.92 -0.53 -0.08 0.00 -1.04 0.00 0.00 41.12 40.39 1sr6 n ASP 39 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1sr6 h ILE 40 N 0.00 1.38 0.00 5.18 2.04 -1.69 -3.13 117.51 121.29 1sr6 h ILE 40 Ca 0.75 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1sr6 h ILE 40 Cb 2.56 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 40.71 1sr6 h ILE 40 CO -0.29 0.44 0.00 2.29 0.00 0.00 0.00 178.15 180.59 1sr6 n LYS 41 N -4.48 0.25 -0.00 2.37 0.00 0.26 -0.54 118.16 116.02 1sr6 n LYS 41 Ca -0.07 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.29 1sr6 n LYS 41 Cb 0.43 -1.43 -0.07 0.00 -0.00 0.00 0.00 35.03 33.96 1sr6 n LYS 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sr6 n ALA 42 N -0.93 3.17 0.82 0.58 0.00 -1.18 -3.87 120.51 119.09 1sr6 n ALA 42 Ca 0.05 -0.30 0.09 0.00 0.00 0.00 0.00 53.44 53.27 1sr6 n ALA 42 Cb 0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 19.45 19.03 1sr6 n ALA 42 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1sr6 n ILE 43 N -1.44 0.00 -0.03 0.00 5.41 0.30 -4.20 119.36 119.41 1sr6 n ILE 43 Ca 0.01 -0.21 -0.02 0.00 1.00 0.00 0.00 62.75 63.52 1sr6 n ILE 43 Cb 0.21 1.12 -0.01 0.00 -0.71 0.00 0.00 39.64 40.25 1sr6 n ILE 43 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1sr6 n SER 44 N -0.66 0.61 -0.22 4.38 2.88 -0.61 -4.43 113.62 115.57 1sr6 n SER 44 Ca 0.06 0.18 0.31 0.00 -1.33 0.00 0.00 58.87 58.09 1sr6 n SER 44 Cb 0.33 -0.59 0.71 0.00 -0.75 0.00 0.00 64.21 63.92 1sr6 n SER 44 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1sr6 h GLU 45 N -0.32 0.00 -1.59 -1.46 4.11 -1.67 0.29 114.58 113.94 1sr6 h GLU 45 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1sr6 h GLU 45 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1sr6 h GLU 45 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 179.01 180.02 1sr6 n GLN 46 N -3.93 0.56 0.00 1.06 7.27 -1.26 -1.60 117.38 119.48 1sr6 n GLN 46 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.28 1sr6 n GLN 46 Cb 1.16 -1.22 0.00 0.00 2.41 0.00 0.00 30.24 32.59 1sr6 n GLN 46 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1sr6 n LEU 47 N 0.99 0.00 0.00 1.69 4.77 0.96 -5.03 117.00 120.38 1sr6 n LEU 47 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1sr6 n LEU 47 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1sr6 n LEU 47 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1sr6 n GLY 48 N 0.00 1.32 0.87 -0.72 0.00 -0.63 -5.13 105.19 100.91 1sr6 n GLY 48 Ca 0.00 -2.17 0.12 0.00 0.00 0.00 0.00 46.02 43.97 1sr6 n GLY 48 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1sr6 n ARG 49 N -0.19 -1.71 0.00 1.61 -4.01 -1.26 -3.57 116.66 107.54 1sr6 n ARG 49 Ca 0.00 1.13 0.00 0.00 -1.04 0.00 0.00 57.85 57.94 1sr6 n ARG 49 Cb 0.00 -2.08 0.00 0.00 -3.04 0.00 0.00 32.46 27.34 1sr6 n ARG 49 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1sr6 n ALA 50 N -1.75 0.00 -1.59 2.89 0.00 -1.26 -3.94 120.51 114.87 1sr6 n ALA 50 Ca 0.01 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.97 1sr6 n ALA 50 Cb 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 1sr6 n ALA 50 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1sr6 n PRO 51 N 0.00 1.76 -1.00 0.00 -0.04 -1.26 -4.93 135.00 129.53 1sr6 n PRO 51 Ca 0.00 0.57 -0.37 0.00 -0.04 0.00 0.00 63.50 63.66 1sr6 n PRO 51 Cb 0.00 -2.73 0.04 0.00 -0.04 0.00 0.00 33.50 30.77 1sr6 n PRO 51 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1sr6 n ASP 52 N 8.92 -5.42 -0.09 3.54 2.03 -1.26 -4.70 116.55 119.57 1sr6 n ASP 52 Ca 0.31 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1sr6 n ASP 52 Cb 0.31 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 1sr6 n ASP 52 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1sr6 n ASP 53 N 3.46 0.04 0.00 1.67 2.03 -1.26 -1.05 116.55 121.44 1sr6 n ASP 53 Ca -0.02 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.80 1sr6 n ASP 53 Cb 0.60 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1sr6 n ASP 53 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1sr6 n LYS 54 N -0.35 0.28 -0.64 -0.67 5.02 -1.26 -4.73 118.16 115.81 1sr6 n LYS 54 Ca 0.00 -0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1sr6 n LYS 54 Cb 0.01 -0.04 0.01 0.00 -0.02 0.00 0.00 35.03 34.99 1sr6 n LYS 54 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1sr6 n GLU 55 N -0.04 1.30 0.00 1.97 0.00 -0.22 -3.20 120.64 120.46 1sr6 n GLU 55 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 57.16 56.57 1sr6 n GLU 55 Cb 0.01 -1.23 0.00 0.00 0.00 0.00 0.00 31.44 30.22 1sr6 n GLU 55 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 1sr6 n LEU 56 N 1.05 0.00 0.11 -1.84 -0.00 -1.26 -4.69 117.00 110.37 1sr6 n LEU 56 Ca 0.11 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.25 1sr6 n LEU 56 Cb 0.53 0.00 0.31 0.00 -0.00 0.00 0.00 43.42 44.27 1sr6 n LEU 56 CO 0.14 0.00 0.73 0.74 -0.00 0.00 0.00 177.39 179.00 1sr6 h THR 57 N 0.00 0.00 0.00 1.47 2.02 -1.84 0.35 112.91 114.91 1sr6 h THR 57 Ca 0.00 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1sr6 h THR 57 Cb 0.00 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1sr6 h THR 57 CO 0.00 0.00 -1.59 0.00 0.37 0.00 0.00 175.52 174.30 1sr6 n ALA 58 N -1.84 3.58 -1.92 6.16 0.00 -1.26 -4.12 120.51 121.11 1sr6 n ALA 58 Ca 0.05 -0.55 -0.29 0.00 0.00 0.00 0.00 53.44 52.64 1sr6 n ALA 58 Cb 0.45 -0.76 0.03 0.00 0.00 0.00 0.00 19.45 19.17 1sr6 n ALA 58 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1sr6 n MET 59 N -1.96 3.23 0.00 0.00 2.00 -0.89 -4.37 117.12 115.14 1sr6 n MET 59 Ca -0.01 -3.93 0.00 0.00 0.00 0.00 0.00 57.70 53.76 1sr6 n MET 59 Cb 0.47 -2.28 0.00 0.00 0.00 0.00 0.00 33.22 31.42 1sr6 n MET 59 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1sr6 n LEU 60 N -0.70 0.00 -1.48 4.03 0.00 0.06 -4.70 117.00 114.21 1sr6 n LEU 60 Ca 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 56.01 56.43 1sr6 n LEU 60 Cb 0.73 0.00 0.12 0.00 0.00 0.00 0.00 43.42 44.27 1sr6 n LEU 60 CO 0.50 0.00 0.79 1.17 0.00 0.00 0.00 177.39 179.85 1sr6 n LYS 61 N 0.00 1.95 -0.19 1.96 3.00 -1.26 -4.05 118.16 119.57 1sr6 n LYS 61 Ca 0.00 -1.47 0.11 0.00 -0.00 0.00 0.00 58.31 56.95 1sr6 n LYS 61 Cb 0.00 -1.65 0.20 0.00 0.00 0.00 0.00 35.03 33.58 1sr6 n LYS 61 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1sr6 n GLU 62 N -0.13 2.41 -4.06 1.64 1.02 -1.26 -4.92 120.64 115.34 1sr6 n GLU 62 Ca 0.25 -2.21 -0.32 0.00 -0.02 0.00 0.00 57.16 54.85 1sr6 n GLU 62 Cb 0.97 -1.47 -0.16 0.00 -0.02 0.00 0.00 31.44 30.77 1sr6 n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sr6 s ALA 63 N -1.35 2.34 0.00 0.62 0.00 -1.26 -4.71 121.76 117.40 1sr6 s ALA 63 Ca 0.36 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1sr6 s ALA 63 Cb 0.21 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1sr6 s ALA 63 CO 0.29 -0.87 0.31 -2.30 0.00 0.00 0.00 175.76 173.19 1sr6 n PRO 64 N 4.56 0.21 0.00 0.00 -0.02 -1.26 -4.55 135.00 133.93 1sr6 n PRO 64 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1sr6 n PRO 64 Cb 0.45 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1sr6 n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sr6 n GLY 65 N 1.38 1.91 3.22 -1.23 0.00 -1.26 -5.15 105.19 104.06 1sr6 n GLY 65 Ca 0.00 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 1sr6 n GLY 65 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sr6 n PRO 66 N -1.05 -0.40 -3.83 1.61 -0.02 -1.26 -5.00 135.00 125.04 1sr6 n PRO 66 Ca 0.00 -0.10 -0.26 0.00 -2.02 0.00 0.00 63.50 61.12 1sr6 n PRO 66 Cb 0.00 -1.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1sr6 n PRO 66 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1sr6 s LEU 67 N 2.72 4.29 0.00 2.45 2.96 -1.26 -4.68 118.68 125.15 1sr6 s LEU 67 Ca 0.49 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 1sr6 s LEU 67 Cb -0.15 -3.02 0.00 0.00 0.50 0.00 0.00 46.19 43.52 1sr6 s LEU 67 CO 0.72 -0.00 0.00 -0.46 -1.32 0.00 0.00 176.35 175.29 1sr6 n ASN 68 N -0.66 0.00 0.00 3.68 6.94 -1.26 -4.34 115.26 119.62 1sr6 n ASN 68 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.50 1sr6 n ASN 68 Cb 0.54 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 1sr6 n ASN 68 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1sr6 n PHE 69 N 0.00 0.00 0.07 -2.53 7.35 -1.26 -4.01 117.46 117.08 1sr6 n PHE 69 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 1sr6 n PHE 69 Cb 0.00 -0.81 -0.00 0.00 0.35 0.00 0.00 39.48 39.02 1sr6 n PHE 69 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1sr6 n THR 70 N -1.25 0.00 -1.47 -2.13 -1.04 -1.26 -4.18 114.28 102.95 1sr6 n THR 70 Ca 0.00 -0.48 0.07 0.00 -2.04 0.00 0.00 64.05 61.60 1sr6 n THR 70 Cb 0.00 1.01 0.13 0.00 -1.82 0.00 0.00 70.33 69.65 1sr6 n THR 70 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1sr6 n MET 71 N -0.60 1.06 -0.02 -2.82 1.56 -1.26 -4.43 117.12 110.61 1sr6 n MET 71 Ca 0.01 -2.49 -0.03 0.00 -0.27 0.00 0.00 57.70 54.92 1sr6 n MET 71 Cb 0.03 -1.26 -0.03 0.00 2.15 0.00 0.00 33.22 34.11 1sr6 n MET 71 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1sr6 n PHE 72 N -0.98 0.00 1.83 1.12 7.35 -1.26 -4.48 117.46 121.04 1sr6 n PHE 72 Ca 0.14 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.91 1sr6 n PHE 72 Cb 0.70 -0.23 0.44 0.00 0.35 0.00 0.00 39.48 40.75 1sr6 n PHE 72 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1sr6 n LEU 73 N -2.30 0.35 -0.51 -2.13 4.77 -1.26 -1.99 117.00 113.93 1sr6 n LEU 73 Ca -0.08 -0.15 0.07 0.00 -0.03 0.00 0.00 56.01 55.81 1sr6 n LEU 73 Cb 0.64 -0.03 0.20 0.00 -2.33 0.00 0.00 43.42 41.90 1sr6 n LEU 73 CO 0.09 0.08 0.40 -0.24 -1.33 0.00 0.00 177.39 176.38 1sr6 n SER 74 N -0.52 1.82 0.00 -1.43 2.88 -1.26 -3.36 113.62 111.75 1sr6 n SER 74 Ca 0.13 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 53.91 1sr6 n SER 74 Cb 0.11 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 1sr6 n SER 74 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1sr6 n ILE 75 N -1.17 0.00 -0.07 2.46 5.41 -1.06 -4.66 119.36 120.27 1sr6 n ILE 75 Ca 0.18 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.83 1sr6 n ILE 75 Cb 0.68 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 39.46 1sr6 n ILE 75 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1sr6 n PHE 76 N -0.36 0.41 0.47 1.39 0.99 -0.84 -3.99 117.46 115.52 1sr6 n PHE 76 Ca 0.00 0.14 0.13 0.00 -0.00 0.00 0.00 57.45 57.72 1sr6 n PHE 76 Cb 0.00 -1.07 0.43 0.00 -1.00 0.00 0.00 39.48 37.84 1sr6 n PHE 76 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1sr6 h SER 77 N 0.00 0.00 -0.23 4.37 0.87 -1.79 -3.27 113.55 113.51 1sr6 h SER 77 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1sr6 h SER 77 Cb 2.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.09 1sr6 h SER 77 CO 0.04 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 176.81 1sr6 n ASP 78 N -2.46 2.57 0.00 6.23 10.43 -1.26 -3.73 116.55 128.33 1sr6 n ASP 78 Ca 0.04 -1.80 0.00 0.00 2.57 0.00 0.00 54.79 55.59 1sr6 n ASP 78 Cb 0.37 -0.15 0.00 0.00 1.84 0.00 0.00 41.12 43.18 1sr6 n ASP 78 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1sr6 n LYS 79 N 0.57 1.86 0.05 -1.24 5.02 -1.26 -4.35 118.16 118.81 1sr6 n LYS 79 Ca 0.10 -0.23 0.12 0.00 -2.02 0.00 0.00 58.31 56.28 1sr6 n LYS 79 Cb 0.37 -0.68 0.17 0.00 -0.02 0.00 0.00 35.03 34.87 1sr6 n LYS 79 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1sr6 n LEU 80 N -0.33 0.66 -4.71 -0.35 4.77 -1.23 -4.90 117.00 110.91 1sr6 n LEU 80 Ca 0.00 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 1sr6 n LEU 80 Cb 0.03 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1sr6 n LEU 80 CO 0.00 -0.03 0.85 -0.94 -1.33 0.00 0.00 177.39 175.94 1sr6 s SER 81 N -4.07 7.13 0.00 -1.43 1.04 -1.24 -4.12 113.70 111.00 1sr6 s SER 81 Ca 0.06 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.45 1sr6 s SER 81 Cb 0.14 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1sr6 s SER 81 CO 0.73 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 175.12 1sr6 n GLY 82 N 3.15 1.00 3.96 7.32 0.00 -1.26 -5.06 105.19 114.29 1sr6 n GLY 82 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1sr6 n GLY 82 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1sr6 s THR 83 N -1.62 2.49 0.28 2.61 -1.32 -1.26 -5.12 115.64 111.70 1sr6 s THR 83 Ca 0.00 -0.50 0.11 0.00 -1.21 0.00 0.00 61.69 60.08 1sr6 s THR 83 Cb 0.00 -2.98 -0.05 0.00 -1.51 0.00 0.00 72.50 67.95 1sr6 s THR 83 CO 0.00 0.00 -0.17 -1.81 -2.21 0.00 0.00 174.62 170.43 1sr6 s ASP 84 N -4.48 3.42 1.15 8.08 1.01 -1.26 -5.15 116.67 119.45 1sr6 s ASP 84 Ca 0.59 -1.07 -0.16 0.00 0.71 0.00 0.00 52.55 52.62 1sr6 s ASP 84 Cb -0.10 -0.28 0.26 0.00 1.01 0.00 0.00 42.92 43.81 1sr6 s ASP 84 CO 0.41 -0.05 1.07 -0.94 0.21 0.00 0.00 175.17 175.87 1sr6 s SER 85 N -3.50 1.27 0.12 0.27 1.04 -1.26 -4.84 113.70 106.81 1sr6 s SER 85 Ca 0.29 0.94 -0.12 0.00 0.48 0.00 0.00 55.95 57.54 1sr6 s SER 85 Cb -0.03 -1.42 -0.07 0.00 0.10 0.00 0.00 66.02 64.61 1sr6 s SER 85 CO 0.14 -3.94 1.44 -0.08 0.98 0.00 0.00 173.24 171.78 1sr6 h GLU 86 N -2.45 0.85 -0.23 4.02 4.81 -1.99 -2.09 114.58 117.50 1sr6 h GLU 86 Ca -0.51 -0.46 -0.10 0.00 -0.13 0.00 0.00 59.36 58.16 1sr6 h GLU 86 Cb 1.32 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1sr6 h GLU 86 CO 0.44 1.10 -0.30 1.49 -0.73 0.00 0.00 179.01 181.02 1sr6 h GLU 87 N 0.64 0.46 -0.48 1.92 4.81 -1.96 0.89 114.58 120.86 1sr6 h GLU 87 Ca 0.05 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 1sr6 h GLU 87 Cb 0.96 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1sr6 h GLU 87 CO 0.09 0.71 -0.02 1.15 -0.73 0.00 0.00 179.01 180.22 1sr6 h THR 88 N 0.40 1.26 -0.02 0.32 2.02 -1.89 -1.87 112.91 113.13 1sr6 h THR 88 Ca 0.05 -1.10 -0.19 0.00 0.77 0.00 0.00 66.41 65.95 1sr6 h THR 88 Cb 0.72 1.02 0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1sr6 h THR 88 CO 0.06 0.38 -0.72 0.40 0.37 0.00 0.00 175.52 176.00 1sr6 h ILE 89 N 0.71 1.37 0.00 3.11 2.04 -1.12 -2.42 117.51 121.20 1sr6 h ILE 89 Ca 0.13 -2.09 0.00 0.00 1.00 0.00 0.00 64.86 63.91 1sr6 h ILE 89 Cb 0.53 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1sr6 h ILE 89 CO 0.03 0.62 0.00 -2.11 0.00 0.00 0.00 178.15 176.69 1sr6 n ARG 90 N -4.10 0.90 -0.00 2.37 1.85 0.28 -1.32 116.66 116.64 1sr6 n ARG 90 Ca -0.10 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.82 1sr6 n ARG 90 Cb 0.73 -1.35 -0.09 0.00 -1.05 0.00 0.00 32.46 30.70 1sr6 n ARG 90 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1sr6 n ASN 91 N -0.85 0.93 -0.06 2.89 5.03 -0.71 -3.19 115.26 119.30 1sr6 n ASN 91 Ca 0.15 -0.62 -0.10 0.00 0.87 0.00 0.00 54.58 54.89 1sr6 n ASN 91 Cb 0.07 1.17 -0.09 0.00 -1.02 0.00 0.00 39.78 39.91 1sr6 n ASN 91 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sr6 h ALA 92 N 1.79 0.01 -0.14 5.41 0.00 -0.69 -3.20 119.26 122.43 1sr6 h ALA 92 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1sr6 h ALA 92 Cb 0.41 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1sr6 h ALA 92 CO 0.00 0.03 0.05 0.74 0.00 0.00 0.00 179.25 180.07 1sr6 h PHE 93 N -1.00 0.19 0.00 0.00 0.04 -1.61 -1.58 116.94 112.98 1sr6 h PHE 93 Ca -0.01 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1sr6 h PHE 93 Cb 0.69 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.78 1sr6 h PHE 93 CO 0.18 0.16 0.00 0.00 -0.60 0.00 0.00 178.31 178.05 1sr6 n ALA 94 N -2.51 2.75 -0.11 2.45 0.00 -1.19 -1.96 120.51 119.94 1sr6 n ALA 94 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1sr6 n ALA 94 Cb 0.12 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1sr6 n ALA 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1sr6 n MET 95 N 0.80 1.83 -0.41 0.00 2.81 -0.59 -4.55 117.12 117.00 1sr6 n MET 95 Ca 0.00 -0.24 0.07 0.00 -1.81 0.00 0.00 57.70 55.72 1sr6 n MET 95 Cb 0.45 -0.70 0.15 0.00 -0.71 0.00 0.00 33.22 32.41 1sr6 n MET 95 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1sr6 n PHE 96 N -0.33 0.00 -3.12 2.03 3.01 -0.83 -4.80 117.46 113.42 1sr6 n PHE 96 Ca 0.00 -1.09 -0.21 0.00 1.01 0.00 0.00 57.45 57.16 1sr6 n PHE 96 Cb 0.03 -0.18 -0.04 0.00 -0.01 0.00 0.00 39.48 39.27 1sr6 n PHE 96 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1sr6 n ASP 97 N -1.07 -0.14 0.01 4.37 2.03 -1.25 -4.93 116.55 115.57 1sr6 n ASP 97 Ca 0.15 -2.85 0.07 0.00 0.52 0.00 0.00 54.79 52.68 1sr6 n ASP 97 Cb 0.70 -0.27 0.48 0.00 -0.72 0.00 0.00 41.12 41.32 1sr6 n ASP 97 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1sr6 h GLU 98 N 3.78 0.41 0.00 -0.67 4.57 -1.90 0.64 114.58 121.41 1sr6 h GLU 98 Ca 0.04 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1sr6 h GLU 98 Cb 0.92 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1sr6 h GLU 98 CO 0.44 0.27 0.00 1.04 -1.18 0.00 0.00 179.01 179.58 1sr6 n GLN 99 N -4.48 0.19 -3.39 1.92 1.13 -1.26 -4.91 117.38 106.58 1sr6 n GLN 99 Ca 0.04 0.30 -0.17 0.00 -1.94 0.00 0.00 57.00 55.24 1sr6 n GLN 99 Cb 0.17 -1.79 0.09 0.00 0.11 0.00 0.00 30.24 28.82 1sr6 n GLN 99 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1sr6 n GLU 100 N -2.13 -5.56 0.00 -1.09 1.02 0.22 -4.91 120.64 108.20 1sr6 n GLU 100 Ca 0.04 0.85 0.13 0.00 -0.02 0.00 0.00 57.16 58.16 1sr6 n GLU 100 Cb 0.30 -5.86 0.36 0.00 -0.02 0.00 0.00 31.44 26.22 1sr6 n GLU 100 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1sr6 n THR 101 N -3.91 0.00 -1.45 2.62 -2.24 -1.26 -4.92 114.28 103.12 1sr6 n THR 101 Ca -0.24 -0.09 -0.12 0.00 -2.27 0.00 0.00 64.05 61.33 1sr6 n THR 101 Cb 0.66 0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 1sr6 n THR 101 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sr6 n LYS 102 N -0.89 -0.84 -3.70 -0.78 4.76 -1.26 -4.99 118.16 110.46 1sr6 n LYS 102 Ca 0.11 0.88 -0.14 0.00 -2.87 0.00 0.00 58.31 56.28 1sr6 n LYS 102 Cb 0.34 -4.90 -0.08 0.00 -1.84 0.00 0.00 35.03 28.54 1sr6 n LYS 102 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1sr6 s LYS 103 N -3.20 0.71 0.04 1.97 1.02 -1.26 -4.13 119.74 114.89 1sr6 s LYS 103 Ca 0.00 0.10 0.07 0.00 0.02 0.00 0.00 55.97 56.16 1sr6 s LYS 103 Cb 0.00 0.32 -0.03 0.00 -0.52 0.00 0.00 37.83 37.60 1sr6 s LYS 103 CO 0.00 -0.18 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.57 1sr6 s LEU 104 N -0.91 2.67 0.40 3.17 1.43 -0.37 -4.90 118.68 120.17 1sr6 s LEU 104 Ca -0.10 -0.40 -0.27 0.00 -1.03 0.00 0.00 54.13 52.33 1sr6 s LEU 104 Cb -0.04 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.54 1sr6 s LEU 104 CO 0.04 0.25 1.38 0.20 0.23 0.00 0.00 176.35 178.46 1sr6 s ASN 105 N -1.48 6.26 0.09 2.29 0.01 -1.26 0.38 114.94 121.24 1sr6 s ASN 105 Ca 0.15 2.82 -0.29 0.00 -0.71 0.00 0.00 52.86 54.83 1sr6 s ASN 105 Cb -0.11 -2.65 -0.14 0.00 0.41 0.00 0.00 41.25 38.77 1sr6 s ASN 105 CO 0.06 -0.90 1.65 -0.29 -1.51 0.00 0.00 177.10 176.10 1sr6 h ILE 106 N 2.61 0.47 -0.02 0.60 6.09 -1.41 -2.26 117.51 123.59 1sr6 h ILE 106 Ca -0.50 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 62.98 1sr6 h ILE 106 Cb 1.25 0.47 -0.00 0.00 0.47 0.00 0.00 36.82 39.01 1sr6 h ILE 106 CO 0.63 0.00 -0.02 -0.33 -3.07 0.00 0.00 178.15 175.35 1sr6 h GLU 107 N -0.58 0.03 0.05 2.19 4.39 -1.92 -1.84 114.58 116.90 1sr6 h GLU 107 Ca -0.02 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1sr6 h GLU 107 Cb 0.51 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1sr6 h GLU 107 CO -0.01 0.06 -0.02 -0.92 -1.16 0.00 0.00 179.01 176.96 1sr6 h TYR 108 N 0.03 -0.06 -0.50 4.33 3.20 -1.86 -0.89 116.97 121.22 1sr6 h TYR 108 Ca 0.01 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 1sr6 h TYR 108 Cb 0.06 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1sr6 h TYR 108 CO 0.00 0.28 -0.13 0.97 -1.64 0.00 0.00 178.16 177.64 1sr6 h ILE 109 N -0.41 1.27 -0.78 1.81 6.09 -1.17 -0.01 117.51 124.31 1sr6 h ILE 109 Ca -0.01 -1.26 0.03 0.00 -1.37 0.00 0.00 64.86 62.25 1sr6 h ILE 109 Cb 0.37 1.02 -0.05 0.00 0.47 0.00 0.00 36.82 38.63 1sr6 h ILE 109 CO 0.01 0.44 0.50 0.11 -3.07 0.00 0.00 178.15 176.14 1sr6 h LYS 110 N 0.83 0.95 -0.53 2.19 1.57 -1.33 -0.12 116.57 120.15 1sr6 h LYS 110 Ca 0.13 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1sr6 h LYS 110 Cb 0.67 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1sr6 h LYS 110 CO 0.05 0.63 -0.09 0.22 -0.57 0.00 0.00 179.45 179.69 1sr6 h ASP 111 N 0.98 0.99 -0.35 0.86 1.82 -0.78 0.61 116.42 120.56 1sr6 h ASP 111 Ca 0.31 -0.35 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1sr6 h ASP 111 Cb -0.01 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.71 1sr6 h ASP 111 CO -0.10 1.11 0.23 -0.07 -1.61 0.00 0.00 179.24 178.79 1sr6 h LEU 112 N 0.86 0.40 -0.20 2.28 3.38 -0.34 -1.16 115.31 120.52 1sr6 h LEU 112 Ca 0.14 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 1sr6 h LEU 112 Cb 0.65 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.31 1sr6 h LEU 112 CO 0.05 0.30 -0.61 -0.07 0.09 0.00 0.00 178.44 178.19 1sr6 h LEU 113 N 0.47 0.90 0.04 1.67 3.38 -0.88 -2.94 115.31 117.93 1sr6 h LEU 113 Ca 0.13 -0.58 -0.24 0.00 0.09 0.00 0.00 57.88 57.27 1sr6 h LEU 113 Cb -0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1sr6 h LEU 113 CO -0.03 1.32 -1.16 -0.08 0.09 0.00 0.00 178.44 178.59 1sr6 h GLU 114 N 0.51 0.08 -0.02 1.13 4.81 -0.81 -2.39 114.58 117.90 1sr6 h GLU 114 Ca -0.02 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1sr6 h GLU 114 Cb 1.24 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1sr6 h GLU 114 CO 0.13 1.01 0.00 0.09 -0.73 0.00 0.00 179.01 179.51 1sr6 n ASN 115 N -3.37 1.99 -4.11 1.04 3.02 -0.45 -3.97 115.26 109.41 1sr6 n ASN 115 Ca -0.05 -1.94 -0.14 0.00 -0.03 0.00 0.00 54.58 52.43 1sr6 n ASN 115 Cb 0.98 -0.01 -0.11 0.00 -0.61 0.00 0.00 39.78 40.02 1sr6 n ASN 115 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1sr6 s MET 116 N -0.94 0.67 4.83 3.52 -1.94 -1.11 -4.94 119.30 119.39 1sr6 s MET 116 Ca 0.01 -0.94 0.00 0.00 -1.71 0.00 0.00 55.69 53.05 1sr6 s MET 116 Cb 0.01 -0.39 0.00 0.00 2.01 0.00 0.00 34.83 36.45 1sr6 s MET 116 CO 0.01 0.06 0.00 0.41 -0.01 0.00 0.00 175.02 175.49 1sr6 n GLY 117 N 1.05 1.69 3.38 -0.03 0.00 -1.26 -3.60 105.19 106.41 1sr6 n GLY 117 Ca -0.20 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 1sr6 n GLY 117 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sr6 n ASP 118 N 0.48 4.93 -3.22 1.61 9.92 -1.26 -4.96 116.55 124.05 1sr6 n ASP 118 Ca 0.00 -2.95 -0.35 0.00 -0.53 0.00 0.00 54.79 50.96 1sr6 n ASP 118 Cb 0.00 -1.65 -0.02 0.00 -0.64 0.00 0.00 41.12 38.80 1sr6 n ASP 118 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1sr6 n ASN 119 N 6.76 -0.89 -4.89 -2.24 4.13 -1.24 -4.98 115.26 111.92 1sr6 n ASN 119 Ca 0.44 0.83 -0.30 0.00 1.68 0.00 0.00 54.58 57.23 1sr6 n ASN 119 Cb 0.43 -0.69 -0.03 0.00 -1.54 0.00 0.00 39.78 37.94 1sr6 n ASN 119 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1sr6 s PHE 120 N -0.71 3.47 0.24 3.10 0.40 -0.90 -5.01 117.98 118.56 1sr6 s PHE 120 Ca 0.47 0.83 0.07 0.00 -0.60 0.00 0.00 56.93 57.70 1sr6 s PHE 120 Cb -0.69 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 40.55 1sr6 s PHE 120 CO 0.41 0.08 0.17 0.54 0.70 0.00 0.00 175.22 177.12 1sr6 s ASN 121 N -3.05 5.44 0.54 1.36 2.20 -1.26 -4.72 114.94 115.44 1sr6 s ASN 121 Ca 0.47 -0.26 0.31 0.00 -0.94 0.00 0.00 52.86 52.44 1sr6 s ASN 121 Cb -0.11 -1.36 1.06 0.00 -2.00 0.00 0.00 41.25 38.84 1sr6 s ASN 121 CO 0.29 -0.02 1.25 0.29 -2.94 0.00 0.00 177.10 175.97 1sr6 n LYS 122 N -1.01 0.01 0.10 3.55 4.76 -1.26 -0.81 118.16 123.50 1sr6 n LYS 122 Ca -0.08 0.94 -0.05 0.00 -2.87 0.00 0.00 58.31 56.25 1sr6 n LYS 122 Cb 0.57 -2.29 -0.02 0.00 -1.84 0.00 0.00 35.03 31.45 1sr6 n LYS 122 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1sr6 h ASP 123 N 0.00 -0.29 -0.92 4.39 3.32 -1.99 -1.78 116.42 119.15 1sr6 h ASP 123 Ca 0.58 0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.80 1sr6 h ASP 123 Cb 2.91 0.07 -0.08 0.00 0.22 0.00 0.00 39.33 42.46 1sr6 h ASP 123 CO -0.01 0.10 0.59 -0.33 -1.72 0.00 0.00 179.24 177.88 1sr6 h GLU 124 N -0.96 0.67 0.44 3.56 5.08 -1.35 -0.04 114.58 121.98 1sr6 h GLU 124 Ca -0.03 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1sr6 h GLU 124 Cb 0.26 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1sr6 h GLU 124 CO 0.06 0.44 -0.21 0.52 -1.00 0.00 0.00 179.01 178.82 1sr6 h MET 125 N 0.69 -0.57 -0.90 2.33 2.86 -1.34 0.60 114.93 118.60 1sr6 h MET 125 Ca 0.48 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 58.23 1sr6 h MET 125 Cb 0.80 0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.52 1sr6 h MET 125 CO -0.24 -0.35 0.55 -0.09 1.06 0.00 0.00 176.91 177.85 1sr6 h ARG 126 N -0.64 0.95 -0.10 1.72 2.43 -0.36 -2.17 114.38 116.20 1sr6 h ARG 126 Ca -0.06 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 58.91 1sr6 h ARG 126 Cb 0.48 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1sr6 h ARG 126 CO 0.10 0.63 -0.55 0.52 -1.51 0.00 0.00 179.97 179.16 1sr6 h MET 127 N 0.98 0.30 -0.10 0.20 2.86 -0.86 -2.99 114.93 115.33 1sr6 h MET 127 Ca 0.40 -0.19 -0.21 0.00 -2.06 0.00 0.00 59.70 57.64 1sr6 h MET 127 Cb 0.24 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1sr6 h MET 127 CO -0.20 0.77 -0.80 1.15 1.06 0.00 0.00 176.91 178.90 1sr6 h THR 128 N 0.23 1.33 -0.31 2.22 2.02 -0.28 -3.30 112.91 114.81 1sr6 h THR 128 Ca 0.00 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 65.08 1sr6 h THR 128 Cb 1.04 2.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1sr6 h THR 128 CO 0.09 0.65 0.00 0.49 0.37 0.00 0.00 175.52 177.12 1sr6 n PHE 129 N -3.87 0.41 -0.04 3.16 3.72 -0.88 -4.04 117.46 115.91 1sr6 n PHE 129 Ca -0.06 -0.20 -0.12 0.00 -0.05 0.00 0.00 57.45 57.02 1sr6 n PHE 129 Cb 0.75 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.23 1sr6 n PHE 129 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1sr6 h LYS 130 N 2.95 0.25 -0.38 -1.08 3.64 -1.61 -3.14 116.57 117.21 1sr6 h LYS 130 Ca 0.00 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 1sr6 h LYS 130 Cb 0.66 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.38 1sr6 h LYS 130 CO 0.00 0.43 0.04 -1.91 -2.27 0.00 0.00 179.45 175.74 1sr6 n GLU 131 N -4.80 2.58 -2.40 1.90 4.07 -1.26 -5.01 120.64 115.73 1sr6 n GLU 131 Ca -0.05 -3.01 -0.41 0.00 -0.06 0.00 0.00 57.16 53.63 1sr6 n GLU 131 Cb 0.18 -1.90 -0.03 0.00 -0.06 0.00 0.00 31.44 29.63 1sr6 n GLU 131 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1sr6 s ALA 132 N -3.03 3.42 -0.55 4.31 0.00 -1.19 -4.96 121.76 119.77 1sr6 s ALA 132 Ca 0.45 0.92 -0.28 0.00 0.00 0.00 0.00 51.96 53.05 1sr6 s ALA 132 Cb 0.38 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 20.11 1sr6 s ALA 132 CO 0.06 -0.36 1.41 -2.14 0.00 0.00 0.00 175.76 174.73 1sr6 s PRO 133 N -0.03 3.32 -0.18 0.00 0.02 -1.26 -4.98 135.00 131.90 1sr6 s PRO 133 Ca 0.53 0.48 -0.01 0.00 0.02 0.00 0.00 61.00 62.03 1sr6 s PRO 133 Cb -0.32 -4.12 0.05 0.00 0.02 0.00 0.00 34.50 30.14 1sr6 s PRO 133 CO 0.35 -1.91 -0.02 0.08 -0.33 0.00 0.00 177.00 175.17 1sr6 s VAL 134 N 6.00 0.94 -0.16 3.83 1.01 -1.26 -2.18 120.40 128.57 1sr6 s VAL 134 Ca 0.53 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1sr6 s VAL 134 Cb -0.11 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1sr6 s VAL 134 CO 0.25 0.01 -0.06 -1.61 0.00 0.00 0.00 175.10 173.69 1sr6 s GLU 135 N 1.69 3.53 -1.74 2.72 2.02 -0.45 -4.72 118.70 121.75 1sr6 s GLU 135 Ca -0.00 -0.59 -0.15 0.00 0.02 0.00 0.00 54.97 54.24 1sr6 s GLU 135 Cb -0.16 -2.86 0.15 0.00 0.10 0.00 0.00 34.13 31.36 1sr6 s GLU 135 CO -0.07 0.13 0.45 0.41 0.02 0.00 0.00 175.26 176.20 1sr6 n GLY 136 N 3.82 -0.32 1.93 -1.39 0.00 -1.26 0.17 105.19 108.14 1sr6 n GLY 136 Ca -0.18 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1sr6 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sr6 n GLY 137 N -1.58 1.59 3.70 -0.02 0.00 -1.26 -5.03 105.19 102.59 1sr6 n GLY 137 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1sr6 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sr6 s LYS 138 N -0.36 3.75 -0.26 1.61 -0.14 0.13 -1.01 119.74 123.47 1sr6 s LYS 138 Ca 0.00 -0.30 -0.14 0.00 -1.36 0.00 0.00 55.97 54.17 1sr6 s LYS 138 Cb 0.00 -3.17 -0.04 0.00 -1.68 0.00 0.00 37.83 32.94 1sr6 s LYS 138 CO 0.00 0.44 0.35 0.12 -0.76 0.00 0.00 175.35 175.50 1sr6 s PHE 139 N -0.09 3.27 -0.92 3.18 5.36 0.16 -1.34 117.98 127.60 1sr6 s PHE 139 Ca 0.07 0.40 -0.21 0.00 -0.96 0.00 0.00 56.93 56.23 1sr6 s PHE 139 Cb -0.12 -2.53 0.09 0.00 -0.34 0.00 0.00 43.02 40.12 1sr6 s PHE 139 CO 0.01 -0.17 1.24 0.34 -1.46 0.00 0.00 175.22 175.18 1sr6 s ASP 140 N 1.52 6.50 0.46 6.13 -1.08 -0.93 -1.24 116.67 128.03 1sr6 s ASP 140 Ca 0.14 -1.59 0.23 0.00 -0.52 0.00 0.00 52.55 50.82 1sr6 s ASP 140 Cb -0.15 -2.48 1.12 0.00 -1.46 0.00 0.00 42.92 39.94 1sr6 s ASP 140 CO 0.09 -1.33 1.93 0.10 0.52 0.00 0.00 175.17 176.48 1sr6 h TYR 141 N 9.37 0.00 -0.20 -5.34 -0.00 -1.90 -0.14 116.97 118.76 1sr6 h TYR 141 Ca 0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 58.72 1sr6 h TYR 141 Cb 1.03 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.75 1sr6 h TYR 141 CO 1.18 0.21 -0.30 0.28 -0.00 0.00 0.00 178.16 179.54 1sr6 h VAL 142 N 0.00 1.33 -0.14 -0.90 2.07 -1.89 -0.61 116.25 116.12 1sr6 h VAL 142 Ca -0.00 -1.51 -0.08 0.00 0.82 0.00 0.00 66.70 65.93 1sr6 h VAL 142 Cb 0.56 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1sr6 h VAL 142 CO 0.03 0.46 -0.23 0.50 0.02 0.00 0.00 177.57 178.35 1sr6 h LYS 143 N 0.22 0.40 -0.55 1.57 3.64 -1.87 -2.84 116.57 117.15 1sr6 h LYS 143 Ca 0.02 -0.25 0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1sr6 h LYS 143 Cb 0.88 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 1sr6 h LYS 143 CO 0.07 0.84 0.37 0.35 -2.27 0.00 0.00 179.45 178.80 1sr6 h PHE 144 N 0.00 0.54 -0.40 1.91 3.04 -1.06 -1.62 116.94 119.35 1sr6 h PHE 144 Ca 0.01 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.94 1sr6 h PHE 144 Cb 0.81 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.13 1sr6 h PHE 144 CO 0.10 0.30 0.13 1.15 -2.02 0.00 0.00 178.31 177.97 1sr6 h THR 145 N 0.55 1.21 -0.43 4.41 2.02 -0.92 -2.65 112.91 117.09 1sr6 h THR 145 Ca 0.23 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.77 1sr6 h THR 145 Cb 0.23 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1sr6 h THR 145 CO -0.06 0.24 0.20 0.00 0.37 0.00 0.00 175.52 176.27 1sr6 h ALA 146 N 0.98 0.53 0.00 6.16 0.00 -1.08 -2.52 119.26 123.34 1sr6 h ALA 146 Ca 0.13 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1sr6 h ALA 146 Cb 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1sr6 h ALA 146 CO -0.01 -0.16 -0.27 1.98 0.00 0.00 0.00 179.25 180.79 1sr6 h MET 147 N 0.41 -0.33 -1.08 0.00 -1.53 -1.20 0.29 114.93 111.49 1sr6 h MET 147 Ca 0.19 0.02 0.29 0.00 -3.44 0.00 0.00 59.70 56.76 1sr6 h MET 147 Cb 0.11 0.07 -0.09 0.00 -0.55 0.00 0.00 31.60 31.15 1sr6 h MET 147 CO -0.14 -0.22 0.71 0.82 0.14 0.00 0.00 176.91 178.22 1sr6 h ILE 148 N -0.34 0.48 0.01 1.77 2.04 -1.38 -1.76 117.51 118.33 1sr6 h ILE 148 Ca 0.01 -0.10 -0.26 0.00 1.00 0.00 0.00 64.86 65.51 1sr6 h ILE 148 Cb 0.36 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 1sr6 h ILE 148 CO -0.18 0.06 -1.39 0.11 0.00 0.00 0.00 178.15 176.75 1sr6 h LYS 149 N 0.30 0.02 0.00 2.37 1.79 -0.91 -3.49 116.57 116.64 1sr6 h LYS 149 Ca 0.60 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 1sr6 h LYS 149 Cb 1.70 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.36 1sr6 h LYS 149 CO -0.26 0.75 0.00 0.41 -1.08 0.00 0.00 179.45 179.28 1sr6 n GLY 150 N 1.47 1.12 0.63 3.86 0.00 0.96 -4.96 105.19 108.28 1sr6 n GLY 150 Ca -0.09 0.00 0.49 0.00 0.00 0.00 0.00 46.02 46.41 1sr6 n GLY 150 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1sr6 h SER 151 N 1.39 0.07 0.00 1.61 0.87 -1.81 -3.38 113.55 112.30 1sr6 h SER 151 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1sr6 h SER 151 Cb 0.00 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1sr6 h SER 151 CO 0.00 -0.08 0.00 0.61 -0.53 0.00 0.00 176.83 176.83 1sr6 n GLY 152 N -1.79 1.34 3.04 5.77 0.00 -1.24 -5.03 105.19 107.28 1sr6 n GLY 152 Ca 0.43 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.22 1sr6 n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sr6 s GLU 153 N 3.65 1.28 -0.07 1.61 8.01 -1.26 -4.97 118.70 126.96 1sr6 s GLU 153 Ca 0.00 -0.40 0.01 0.00 0.01 0.00 0.00 54.97 54.59 1sr6 s GLU 153 Cb 0.00 -1.15 -0.03 0.00 -4.31 0.00 0.00 34.13 28.64 1sr6 s GLU 153 CO 0.00 0.14 -0.08 -1.83 0.01 0.00 0.00 175.26 173.50 1sr6 s GLU 154 N 0.21 2.78 0.04 1.61 4.04 -1.26 -4.69 118.70 121.44 1sr6 s GLU 154 Ca -0.05 -0.57 0.02 0.00 0.04 0.00 0.00 54.97 54.41 1sr6 s GLU 154 Cb -0.10 -2.58 -0.02 0.00 0.02 0.00 0.00 34.13 31.44 1sr6 s GLU 154 CO 0.01 0.63 -0.07 -2.00 -1.84 0.00 0.00 175.26 171.99 1sr6 s GLU 155 N -0.71 0.49 0.00 -4.83 2.12 -1.26 -5.16 118.70 109.35 1sr6 s GLU 155 Ca 0.11 -0.75 0.13 0.00 0.36 0.00 0.00 54.97 54.82 1sr6 s GLU 155 Cb -0.11 -0.19 0.11 0.00 0.26 0.00 0.00 34.13 34.20 1sr6 s GLU 155 CO 0.01 0.02 0.92 0.00 -0.54 0.00 0.00 175.26 175.68