#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3if6 s VAL 26 N 0.00 5.25 -0.40 2.52 1.01 0.12 -4.98 120.40 123.93 3if6 s VAL 26 Ca 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 3if6 s VAL 26 Cb 0.00 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.61 3if6 s VAL 26 CO 0.00 -0.11 1.09 -0.63 0.00 0.00 0.00 175.10 175.45 3if6 s ILE 27 N 1.79 4.38 -1.19 2.22 -1.09 -1.26 -1.39 121.20 124.66 3if6 s ILE 27 Ca 0.07 1.45 -0.10 0.00 -2.23 0.00 0.00 60.65 59.84 3if6 s ILE 27 Cb -0.18 -4.49 0.21 0.00 -1.58 0.00 0.00 42.46 36.43 3if6 s ILE 27 CO 0.11 -0.72 1.45 0.54 -1.23 0.00 0.00 174.94 175.09 3if6 n ARG 28 N 7.29 3.60 0.19 2.79 5.12 0.95 -4.70 116.66 131.90 3if6 n ARG 28 Ca 0.11 -4.03 0.14 0.00 -1.93 0.00 0.00 57.85 52.15 3if6 n ARG 28 Cb 0.48 -2.83 0.60 0.00 -1.16 0.00 0.00 32.46 29.55 3if6 n ARG 28 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3if6 h SER 29 N 6.52 0.00 0.53 0.55 4.64 -1.93 -2.52 113.55 121.34 3if6 h SER 29 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3if6 h SER 29 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3if6 h SER 29 CO 1.28 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 176.34 3if6 n ASP 30 N -2.54 0.00 -0.00 4.97 5.75 -1.26 -3.48 116.55 119.99 3if6 n ASP 30 Ca 0.01 0.26 0.06 0.00 -0.01 0.00 0.00 54.79 55.11 3if6 n ASP 30 Cb 0.22 -0.40 -0.08 0.00 -1.03 0.00 0.00 41.12 39.84 3if6 n ASP 30 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3if6 n TRP 31 N -1.40 0.00 -0.25 2.11 8.01 -0.95 -4.51 117.44 120.45 3if6 n TRP 31 Ca 0.07 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.31 3if6 n TRP 31 Cb 0.19 -0.04 0.18 0.00 -2.01 0.00 0.00 31.31 29.63 3if6 n TRP 31 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 3if6 h LYS 32 N 0.00 0.35 -0.75 -0.99 3.64 -1.64 -2.09 116.57 115.08 3if6 h LYS 32 Ca 0.00 -0.02 0.26 0.00 -1.27 0.00 0.00 60.65 59.61 3if6 h LYS 32 Cb 0.35 -0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 31.95 3if6 h LYS 32 CO 0.00 0.23 0.19 1.17 -2.27 0.00 0.00 179.45 178.77 3if6 n LYS 33 N -5.07 -0.05 0.08 1.90 4.81 -1.26 -1.18 118.16 117.39 3if6 n LYS 33 Ca 0.14 1.09 -0.08 0.00 -0.87 0.00 0.00 58.31 58.59 3if6 n LYS 33 Cb 0.43 -1.83 0.01 0.00 0.02 0.00 0.00 35.03 33.66 3if6 n LYS 33 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 3if6 h PHE 34 N 0.00 0.29 -0.05 5.64 0.04 -1.69 -1.66 116.94 119.51 3if6 h PHE 34 Ca 0.54 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 61.13 3if6 h PHE 34 Cb 1.28 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 39.39 3if6 h PHE 34 CO -0.22 0.94 -0.07 0.74 -0.60 0.00 0.00 178.31 179.11 3if6 h PHE 35 N 0.12 0.17 0.00 -0.55 -1.00 -1.21 -3.29 116.94 111.18 3if6 h PHE 35 Ca -0.04 -0.06 -0.08 0.00 2.81 0.00 0.00 57.97 60.60 3if6 h PHE 35 Cb 1.44 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.96 3if6 h PHE 35 CO 0.03 0.63 -0.40 0.66 -1.61 0.00 0.00 178.31 177.62 3if6 h SER 36 N -0.34 0.00 -0.22 2.17 4.64 -1.23 0.90 113.55 119.47 3if6 h SER 36 Ca 0.01 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.39 3if6 h SER 36 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3if6 h SER 36 CO 0.02 0.40 0.16 -0.78 -0.87 0.00 0.00 176.83 175.76 3if6 h ASP 37 N 0.00 0.00 -0.29 4.97 3.58 -1.39 -1.30 116.42 122.00 3if6 h ASP 37 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3if6 h ASP 37 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 3if6 h ASP 37 CO 0.05 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.59 3if6 n LEU 38 N -4.40 3.73 -2.83 2.28 4.77 -0.95 -4.99 117.00 114.61 3if6 n LEU 38 Ca 0.02 -2.81 -0.22 0.00 -0.03 0.00 0.00 56.01 52.98 3if6 n LEU 38 Cb 0.31 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 3if6 n LEU 38 CO 0.34 0.69 -0.09 0.00 -1.33 0.00 0.00 177.39 177.00 3if6 n GLN 39 N -0.27 -3.76 -4.15 3.23 3.00 -0.49 -4.96 117.38 109.98 3if6 n GLN 39 Ca 0.19 0.91 -0.31 0.00 -0.01 0.00 0.00 57.00 57.78 3if6 n GLN 39 Cb 0.80 -5.70 -0.08 0.00 0.00 0.00 0.00 30.24 25.27 3if6 n GLN 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3if6 s ALA 40 N -3.10 3.36 -0.24 -1.58 0.00 0.27 -4.98 121.76 115.48 3if6 s ALA 40 Ca 0.21 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 3if6 s ALA 40 Cb -0.09 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.74 3if6 s ALA 40 CO 0.25 0.70 -0.04 -1.21 0.00 0.00 0.00 175.76 175.46 3if6 s GLU 41 N -2.10 3.15 0.00 0.00 0.41 -1.26 -4.39 118.70 114.51 3if6 s GLU 41 Ca 0.25 -0.78 0.00 0.00 -0.41 0.00 0.00 54.97 54.03 3if6 s GLU 41 Cb -0.12 -3.02 0.00 0.00 -1.78 0.00 0.00 34.13 29.21 3if6 s GLU 41 CO 0.17 -0.29 0.00 0.41 -0.49 0.00 0.00 175.26 175.05 3if6 n GLY 42 N 4.76 1.25 3.23 -1.39 0.00 -1.26 -0.96 105.19 110.82 3if6 n GLY 42 Ca -0.17 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 3if6 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3if6 s ALA 43 N -1.00 1.29 -0.09 4.61 0.00 -0.77 -4.68 121.76 121.12 3if6 s ALA 43 Ca 0.00 -1.57 -0.13 0.00 0.00 0.00 0.00 51.96 50.26 3if6 s ALA 43 Cb 0.00 0.56 0.03 0.00 0.00 0.00 0.00 23.12 23.71 3if6 s ALA 43 CO 0.00 -0.33 0.33 -1.50 0.00 0.00 0.00 175.76 174.26 3if6 s ILE 44 N -3.69 0.02 -0.16 0.00 2.07 -0.79 -2.63 121.20 116.02 3if6 s ILE 44 Ca 0.23 -0.18 0.01 0.00 -1.41 0.00 0.00 60.65 59.31 3if6 s ILE 44 Cb 0.06 -0.53 0.01 0.00 0.13 0.00 0.00 42.46 42.12 3if6 s ILE 44 CO 0.03 -0.10 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.10 3if6 s VAL 45 N -0.38 2.39 -0.06 4.00 1.01 -0.46 -0.91 120.40 126.00 3if6 s VAL 45 Ca -0.05 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3if6 s VAL 45 Cb -0.03 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3if6 s VAL 45 CO 0.02 0.52 -0.12 0.27 0.00 0.00 0.00 175.10 175.79 3if6 s ILE 46 N 0.99 3.23 -0.33 2.22 -5.25 -0.46 -1.72 121.20 119.89 3if6 s ILE 46 Ca -0.02 -0.66 0.01 0.00 -0.99 0.00 0.00 60.65 58.99 3if6 s ILE 46 Cb -0.15 -2.28 0.08 0.00 2.95 0.00 0.00 42.46 43.06 3if6 s ILE 46 CO -0.04 0.59 0.03 0.00 -1.79 0.00 0.00 174.94 173.73 3if6 s ALA 47 N -0.74 2.85 -0.52 2.27 0.00 -0.49 -1.26 121.76 123.87 3if6 s ALA 47 Ca 0.11 -2.20 -0.22 0.00 0.00 0.00 0.00 51.96 49.65 3if6 s ALA 47 Cb -0.11 -1.96 0.04 0.00 0.00 0.00 0.00 23.12 21.10 3if6 s ALA 47 CO 0.01 -1.51 0.82 0.34 0.00 0.00 0.00 175.76 175.42 3if6 s ASP 48 N 1.20 6.31 -0.42 0.00 -1.08 -1.17 -1.21 116.67 120.29 3if6 s ASP 48 Ca 0.02 -0.50 0.04 0.00 -0.52 0.00 0.00 52.55 51.60 3if6 s ASP 48 Cb -0.20 -2.38 0.50 0.00 -1.46 0.00 0.00 42.92 39.38 3if6 s ASP 48 CO -0.05 -1.07 1.63 -0.62 0.52 0.00 0.00 175.17 175.58 3if6 n GLU 49 N 6.94 2.56 0.13 4.34 1.02 0.26 -3.19 120.64 132.70 3if6 n GLU 49 Ca -0.01 -3.43 0.11 0.00 -0.02 0.00 0.00 57.16 53.81 3if6 n GLU 49 Cb 0.47 -2.12 0.04 0.00 -0.02 0.00 0.00 31.44 29.81 3if6 n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3if6 h ARG 50 N 1.56 0.00 -6.21 3.49 3.08 -1.77 -3.37 114.38 111.16 3if6 h ARG 50 Ca 0.43 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.99 3if6 h ARG 50 Cb 1.57 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.58 3if6 h ARG 50 CO 0.93 0.03 -0.46 -0.65 -1.07 0.00 0.00 179.97 178.76 3if6 s GLN 51 N -3.28 2.91 0.38 0.04 -0.21 -1.26 -4.59 119.66 113.66 3if6 s GLN 51 Ca 0.01 -1.12 0.12 0.00 0.02 0.00 0.00 55.36 54.39 3if6 s GLN 51 Cb 0.08 -2.59 0.93 0.00 1.00 0.00 0.00 33.01 32.43 3if6 s GLN 51 CO 0.76 0.23 1.87 0.00 -2.12 0.00 0.00 175.29 176.03 3if6 h ALA 52 N 1.28 1.98 -2.98 6.09 0.00 -1.94 -3.37 119.26 120.32 3if6 h ALA 52 Ca -0.47 0.02 -0.59 0.00 0.00 0.00 0.00 54.91 53.87 3if6 h ALA 52 Cb 1.25 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 3if6 h ALA 52 CO 0.59 -0.23 -0.23 0.21 0.00 0.00 0.00 179.25 179.58 3if6 s LYS 53 N -5.57 4.26 -0.12 0.00 2.20 -1.26 -5.09 119.74 114.16 3if6 s LYS 53 Ca -0.09 0.23 -0.14 0.00 -0.36 0.00 0.00 55.97 55.61 3if6 s LYS 53 Cb 0.22 -3.46 -0.05 0.00 -1.51 0.00 0.00 37.83 33.03 3if6 s LYS 53 CO 0.78 0.13 0.33 -1.01 -0.36 0.00 0.00 175.35 175.22 3if6 s HIS 54 N 0.77 3.54 0.31 4.03 3.76 -1.26 -4.81 115.29 121.62 3if6 s HIS 54 Ca 0.20 0.72 0.07 0.00 -0.15 0.00 0.00 55.06 55.90 3if6 s HIS 54 Cb -0.14 -2.33 -0.03 0.00 1.11 0.00 0.00 32.58 31.20 3if6 s HIS 54 CO 0.07 0.36 0.29 0.95 -0.85 0.00 0.00 174.74 175.56 3if6 s THR 55 N 0.03 3.94 -0.20 1.30 -4.23 -1.19 -5.03 115.64 110.26 3if6 s THR 55 Ca 0.19 -1.31 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 3if6 s THR 55 Cb -0.14 -3.31 0.06 0.00 1.34 0.00 0.00 72.50 70.45 3if6 s THR 55 CO 0.07 -0.23 0.02 -0.22 -0.54 0.00 0.00 174.62 173.72 3if6 s LEU 56 N -3.98 1.45 -0.02 4.79 2.96 -1.26 -3.04 118.68 119.58 3if6 s LEU 56 Ca 0.39 -0.88 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 3if6 s LEU 56 Cb -0.07 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 3if6 s LEU 56 CO 0.27 -0.29 0.10 -0.44 -1.32 0.00 0.00 176.35 174.67 3if6 s SER 57 N 1.76 5.83 -0.07 3.68 0.01 -0.39 0.15 113.70 124.68 3if6 s SER 57 Ca -0.02 0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.42 3if6 s SER 57 Cb -0.17 -1.72 0.03 0.00 0.21 0.00 0.00 66.02 64.37 3if6 s SER 57 CO -0.08 0.29 0.15 -0.69 0.41 0.00 0.00 173.24 173.33 3if6 s VAL 58 N -1.18 -0.04 -0.17 3.43 1.01 -0.49 -1.35 120.40 121.61 3if6 s VAL 58 Ca 0.22 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 3if6 s VAL 58 Cb -0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 3if6 s VAL 58 CO 0.13 0.06 -0.03 0.12 0.00 0.00 0.00 175.10 175.38 3if6 s PHE 59 N 0.92 3.02 -0.54 5.22 5.36 -0.09 -0.03 117.98 131.83 3if6 s PHE 59 Ca -0.07 -0.40 -0.15 0.00 -0.96 0.00 0.00 56.93 55.35 3if6 s PHE 59 Cb -0.09 -2.01 0.02 0.00 -0.34 0.00 0.00 43.02 40.60 3if6 s PHE 59 CO -0.05 -0.14 0.64 -3.47 -1.46 0.00 0.00 175.22 170.74 3if6 n ASP 60 N 3.85 -7.25 -0.34 6.13 -0.08 -1.26 -1.89 116.55 115.72 3if6 n ASP 60 Ca -0.17 0.14 0.23 0.00 -1.51 0.00 0.00 54.79 53.48 3if6 n ASP 60 Cb 0.52 -4.43 0.49 0.00 2.34 0.00 0.00 41.12 40.04 3if6 n ASP 60 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 3if6 h GLN 61 N 1.44 0.39 0.12 -0.67 5.75 -1.93 0.20 115.11 120.41 3if6 h GLN 61 Ca -0.15 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 3if6 h GLN 61 Cb 1.10 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.57 3if6 h GLN 61 CO 0.24 0.26 -0.06 0.93 -2.65 0.00 0.00 178.83 177.55 3if6 h GLU 62 N 0.40 -0.16 0.00 1.69 3.07 -1.98 -1.94 114.58 115.66 3if6 h GLU 62 Ca 0.63 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.43 3if6 h GLU 62 Cb 1.54 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.48 3if6 h GLU 62 CO -0.35 0.28 -0.30 -0.09 -1.40 0.00 0.00 179.01 177.14 3if6 h ARG 63 N -0.67 0.00 -0.11 2.33 2.43 -1.86 -2.46 114.38 114.04 3if6 h ARG 63 Ca -0.02 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 3if6 h ARG 63 Cb 0.51 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3if6 h ARG 63 CO 0.03 0.30 -0.10 0.00 -1.51 0.00 0.00 179.97 178.69 3if6 h ALA 64 N 1.70 1.62 -0.01 2.80 0.00 -0.49 -2.27 119.26 122.61 3if6 h ALA 64 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3if6 h ALA 64 Cb 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3if6 h ALA 64 CO 0.04 0.28 -0.35 0.00 0.00 0.00 0.00 179.25 179.22 3if6 n ALA 65 N -2.50 3.28 -1.75 0.00 0.00 -0.74 -2.63 120.51 116.18 3if6 n ALA 65 Ca -0.01 -0.43 -0.32 0.00 0.00 0.00 0.00 53.44 52.67 3if6 n ALA 65 Cb 0.23 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 3if6 n ALA 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3if6 s LYS 66 N -2.60 3.60 -0.11 0.00 2.20 -0.85 -4.82 119.74 117.15 3if6 s LYS 66 Ca 0.21 1.10 -0.02 0.00 -0.36 0.00 0.00 55.97 56.91 3if6 s LYS 66 Cb 0.19 -2.08 -0.03 0.00 -1.51 0.00 0.00 37.83 34.40 3if6 s LYS 66 CO 0.57 -0.57 -0.04 1.03 -0.36 0.00 0.00 175.35 175.98 3if6 s ARG 67 N -4.05 3.19 0.02 4.03 0.52 -1.26 -3.76 118.95 117.64 3if6 s ARG 67 Ca 0.62 -0.50 0.02 0.00 -0.52 0.00 0.00 55.73 55.35 3if6 s ARG 67 Cb -0.13 -2.77 -0.02 0.00 0.52 0.00 0.00 34.95 32.55 3if6 s ARG 67 CO 0.34 0.50 -0.07 0.71 0.02 0.00 0.00 175.30 176.80 3if6 s TYR 68 N -0.34 0.63 -0.03 -0.53 2.02 0.12 -4.75 117.35 114.46 3if6 s TYR 68 Ca 0.06 -0.32 -0.36 0.00 -0.37 0.00 0.00 57.07 56.08 3if6 s TYR 68 Cb -0.12 -0.39 -0.15 0.00 -0.40 0.00 0.00 41.96 40.90 3if6 s TYR 68 CO 0.02 -0.04 1.61 0.45 -1.57 0.00 0.00 175.55 176.02 3if6 n SER 69 N 2.12 2.53 0.06 2.29 2.88 -1.26 -0.70 113.62 121.54 3if6 n SER 69 Ca -0.18 1.07 0.02 0.00 -1.33 0.00 0.00 58.87 58.45 3if6 n SER 69 Cb 0.56 -1.27 0.37 0.00 -0.75 0.00 0.00 64.21 63.13 3if6 n SER 69 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3if6 h PRO 70 N 6.51 0.39 0.00 -1.46 0.13 -1.77 -3.47 132.00 132.34 3if6 h PRO 70 Ca -0.47 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3if6 h PRO 70 Cb 1.30 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3if6 h PRO 70 CO 0.88 0.42 0.00 0.00 -0.23 0.00 0.00 178.00 179.08 3if6 n ALA 71 N -2.49 0.00 0.45 -0.56 0.00 -0.26 -2.56 120.51 115.09 3if6 n ALA 71 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 3if6 n ALA 71 Cb 0.21 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.07 3if6 n ALA 71 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3if6 n SER 72 N 4.84 0.35 0.22 0.00 7.64 -1.26 -1.70 113.62 123.71 3if6 n SER 72 Ca 0.00 0.59 0.16 0.00 1.01 0.00 0.00 58.87 60.62 3if6 n SER 72 Cb 0.00 -0.66 0.72 0.00 -1.01 0.00 0.00 64.21 63.26 3if6 n SER 72 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3if6 h THR 73 N 0.00 0.00 0.00 0.44 1.35 -1.42 -2.45 112.91 110.83 3if6 h THR 73 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3if6 h THR 73 Cb 0.32 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 3if6 h THR 73 CO 0.00 0.00 0.00 0.33 -0.25 0.00 0.00 175.52 175.60 3if6 n PHE 74 N -2.67 0.32 0.28 4.73 7.35 -0.69 -2.74 117.46 124.03 3if6 n PHE 74 Ca -0.00 0.12 0.14 0.00 -0.76 0.00 0.00 57.45 56.95 3if6 n PHE 74 Cb 0.18 -0.70 0.80 0.00 0.35 0.00 0.00 39.48 40.12 3if6 n PHE 74 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3if6 h LYS 75 N 0.00 0.00 0.50 -4.13 1.57 -1.65 0.12 116.57 112.98 3if6 h LYS 75 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3if6 h LYS 75 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3if6 h LYS 75 CO 0.00 0.07 -0.24 0.82 -0.57 0.00 0.00 179.45 179.53 3if6 h ILE 76 N 0.00 0.21 -0.32 1.86 2.04 -1.76 -2.32 117.51 117.22 3if6 h ILE 76 Ca -0.00 -0.51 -0.11 0.00 1.00 0.00 0.00 64.86 65.24 3if6 h ILE 76 Cb 0.20 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3if6 h ILE 76 CO 0.01 0.04 -0.24 1.55 0.00 0.00 0.00 178.15 179.51 3if6 h PRO 77 N -1.09 0.64 -0.40 2.37 0.13 -1.76 -3.24 132.00 128.65 3if6 h PRO 77 Ca -0.07 -0.25 0.07 0.00 -0.87 0.00 0.00 66.00 64.87 3if6 h PRO 77 Cb 0.58 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 3if6 h PRO 77 CO 0.11 0.82 0.27 1.25 -0.23 0.00 0.00 178.00 180.23 3if6 h HIS 78 N 0.56 0.26 -0.08 1.56 2.76 -0.81 -1.56 115.15 117.84 3if6 h HIS 78 Ca 0.08 0.01 -0.23 0.00 -2.20 0.00 0.00 60.37 58.03 3if6 h HIS 78 Cb 0.71 -0.09 0.01 0.00 1.55 0.00 0.00 27.41 29.60 3if6 h HIS 78 CO 0.03 0.14 -0.86 1.15 -1.30 0.00 0.00 177.93 177.08 3if6 h THR 79 N 0.26 1.32 -0.69 6.26 2.02 -1.44 -1.21 112.91 119.43 3if6 h THR 79 Ca 0.18 -2.15 0.04 0.00 0.77 0.00 0.00 66.41 65.24 3if6 h THR 79 Cb 0.38 2.17 -0.05 0.00 -1.74 0.00 0.00 68.15 68.92 3if6 h THR 79 CO -0.04 0.66 0.42 -0.07 0.37 0.00 0.00 175.52 176.87 3if6 h LEU 80 N 0.41 0.68 0.35 2.58 3.38 -1.45 0.13 115.31 121.38 3if6 h LEU 80 Ca -0.07 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3if6 h LEU 80 Cb 1.49 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3if6 h LEU 80 CO 0.17 0.47 -0.17 -0.26 0.09 0.00 0.00 178.44 178.73 3if6 h PHE 81 N 0.82 -0.44 -0.87 1.13 -1.00 -1.14 -0.33 116.94 115.10 3if6 h PHE 81 Ca 0.28 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 61.07 3if6 h PHE 81 Cb 0.05 0.15 -0.05 0.00 3.61 0.00 0.00 35.95 39.71 3if6 h PHE 81 CO -0.05 -0.25 0.57 0.00 -1.61 0.00 0.00 178.31 176.97 3if6 h ALA 82 N 0.14 1.13 0.19 2.45 0.00 -1.13 0.24 119.26 122.28 3if6 h ALA 82 Ca -0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3if6 h ALA 82 Cb 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3if6 h ALA 82 CO 0.08 0.47 -0.09 -0.07 0.00 0.00 0.00 179.25 179.64 3if6 h LEU 83 N 1.15 -0.22 -0.40 0.00 3.38 -0.95 0.53 115.31 118.80 3if6 h LEU 83 Ca 0.33 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.19 3if6 h LEU 83 Cb -0.08 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 3if6 h LEU 83 CO -0.09 0.08 -0.24 -0.78 0.09 0.00 0.00 178.44 177.50 3if6 h ASP 84 N -0.53 -0.80 0.00 -0.43 1.82 -0.75 -0.85 116.42 114.88 3if6 h ASP 84 Ca -0.03 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 3if6 h ASP 84 Cb 0.40 0.41 0.00 0.00 0.68 0.00 0.00 39.33 40.82 3if6 h ASP 84 CO 0.04 -0.26 0.00 0.00 -1.61 0.00 0.00 179.24 177.41 3if6 n ALA 85 N -2.92 2.29 -2.25 -0.78 0.00 0.05 -4.86 120.51 112.04 3if6 n ALA 85 Ca 0.02 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 3if6 n ALA 85 Cb 0.31 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 3if6 n ALA 85 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3if6 n ASP 86 N -1.00 -3.97 0.25 0.00 4.64 -0.33 -4.83 116.55 111.31 3if6 n ASP 86 Ca 0.16 0.20 0.15 0.00 -1.38 0.00 0.00 54.79 53.92 3if6 n ASP 86 Cb 0.07 -3.42 0.83 0.00 -1.04 0.00 0.00 41.12 37.56 3if6 n ASP 86 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3if6 h ALA 87 N 0.96 1.75 -3.11 -1.67 0.00 -1.16 -3.43 119.26 112.60 3if6 h ALA 87 Ca -0.30 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 3if6 h ALA 87 Cb 1.16 0.01 -0.24 0.00 0.00 0.00 0.00 17.79 18.72 3if6 h ALA 87 CO 0.37 -0.12 -0.55 0.54 0.00 0.00 0.00 179.25 179.49 3if6 s VAL 88 N -4.74 0.04 -0.14 0.00 0.11 -0.98 -4.99 120.40 109.71 3if6 s VAL 88 Ca -0.05 -0.36 0.03 0.00 -2.93 0.00 0.00 61.98 58.67 3if6 s VAL 88 Cb 0.16 -0.29 -0.23 0.00 -1.53 0.00 0.00 36.38 34.48 3if6 s VAL 88 CO 0.58 -0.20 0.28 -1.14 -3.33 0.00 0.00 175.10 171.29 3if6 n ARG 89 N 2.27 0.70 -3.56 1.54 3.00 -1.26 -4.29 116.66 115.06 3if6 n ARG 89 Ca -0.18 0.21 -0.11 0.00 -0.00 0.00 0.00 57.85 57.78 3if6 n ARG 89 Cb 0.57 -1.67 -0.03 0.00 0.00 0.00 0.00 32.46 31.34 3if6 n ARG 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3if6 s ASP 90 N -6.50 -0.43 0.51 6.15 -1.08 -1.26 -5.02 116.67 109.03 3if6 s ASP 90 Ca -0.19 -0.20 0.30 0.00 -0.52 0.00 0.00 52.55 51.94 3if6 s ASP 90 Cb 0.07 0.60 1.11 0.00 -1.46 0.00 0.00 42.92 43.24 3if6 s ASP 90 CO 0.76 -1.02 1.89 -0.33 0.52 0.00 0.00 175.17 176.99 3if6 h GLU 91 N 2.08 0.00 0.00 4.34 3.07 -2.01 -3.33 114.58 118.73 3if6 h GLU 91 Ca -0.31 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.52 3if6 h GLU 91 Cb 1.29 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.19 3if6 h GLU 91 CO 0.37 0.04 -0.83 0.74 -1.40 0.00 0.00 179.01 177.93 3if6 h PHE 92 N 0.00 0.00 -2.65 4.33 0.04 -2.01 -3.39 116.94 113.27 3if6 h PHE 92 Ca -0.00 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.25 3if6 h PHE 92 Cb 0.64 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.84 3if6 h PHE 92 CO 0.00 0.09 1.02 -1.14 -0.60 0.00 0.00 178.31 177.68 3if6 s GLN 93 N -3.27 4.14 -0.19 1.51 0.74 -1.25 -5.00 119.66 116.35 3if6 s GLN 93 Ca 0.01 2.56 -0.07 0.00 0.05 0.00 0.00 55.36 57.91 3if6 s GLN 93 Cb 0.08 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.90 3if6 s GLN 93 CO 0.77 -0.76 0.06 0.08 -0.55 0.00 0.00 175.29 174.89 3if6 s VAL 94 N 1.68 4.70 -0.18 1.34 1.01 -1.26 -4.34 120.40 123.36 3if6 s VAL 94 Ca 0.76 -0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 3if6 s VAL 94 Cb -0.47 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3if6 s VAL 94 CO 0.33 0.45 0.06 -0.36 0.00 0.00 0.00 175.10 175.59 3if6 s PHE 95 N 0.46 3.26 0.03 5.22 0.40 0.45 -4.93 117.98 122.88 3if6 s PHE 95 Ca 0.03 0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.49 3if6 s PHE 95 Cb -0.13 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.30 3if6 s PHE 95 CO 0.01 0.18 -0.08 1.03 0.70 0.00 0.00 175.22 177.06 3if6 s ARG 96 N 0.28 2.42 0.00 0.44 0.52 -1.26 -1.25 118.95 120.10 3if6 s ARG 96 Ca 0.04 -0.82 0.00 0.00 -0.52 0.00 0.00 55.73 54.43 3if6 s ARG 96 Cb -0.12 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 32.92 3if6 s ARG 96 CO 0.00 0.57 0.00 0.91 0.02 0.00 0.00 175.30 176.81 3if6 n TRP 97 N 1.34 0.00 0.00 -0.53 8.01 -1.26 -5.05 117.44 119.95 3if6 n TRP 97 Ca -0.15 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 3if6 n TRP 97 Cb 0.52 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.82 3if6 n TRP 97 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 3if6 n GLN 109 N -0.01 0.00 -2.41 -0.99 1.13 -1.26 -5.12 117.38 108.73 3if6 n GLN 109 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 3if6 n GLN 109 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 3if6 n GLN 109 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3if6 s ASP 110 N 0.48 7.05 -0.13 1.08 1.01 -1.26 -5.02 116.67 119.89 3if6 s ASP 110 Ca 0.00 1.98 -0.03 0.00 0.71 0.00 0.00 52.55 55.22 3if6 s ASP 110 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3if6 s ASP 110 CO 0.00 -0.52 -0.03 -1.10 0.21 0.00 0.00 175.17 173.73 3if6 s GLN 111 N 1.42 3.38 0.61 8.23 -1.52 -0.38 -4.90 119.66 126.51 3if6 s GLN 111 Ca 0.59 -0.49 0.07 0.00 -1.95 0.00 0.00 55.36 53.58 3if6 s GLN 111 Cb -0.29 -2.85 0.10 0.00 -0.22 0.00 0.00 33.01 29.75 3if6 s GLN 111 CO 0.27 0.41 0.84 0.16 -0.25 0.00 0.00 175.29 176.73 3if6 s ASP 112 N -0.10 4.92 0.45 5.90 3.84 -1.26 -0.41 116.67 130.00 3if6 s ASP 112 Ca 0.03 -0.74 0.20 0.00 -0.00 0.00 0.00 52.55 52.03 3if6 s ASP 112 Cb -0.13 0.24 1.07 0.00 -1.38 0.00 0.00 42.92 42.72 3if6 s ASP 112 CO 0.02 -1.47 1.95 0.25 -0.00 0.00 0.00 175.17 175.92 3if6 h LEU 113 N 0.01 0.00 -0.05 2.11 5.85 -1.76 -1.61 115.31 119.87 3if6 h LEU 113 Ca -0.31 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.16 3if6 h LEU 113 Cb 1.28 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.33 3if6 h LEU 113 CO 0.40 0.23 -0.95 -0.09 -0.34 0.00 0.00 178.44 177.69 3if6 h ARG 114 N 0.00 0.73 -0.27 1.25 2.43 -1.95 -1.89 114.38 114.67 3if6 h ARG 114 Ca -0.00 -0.72 -0.17 0.00 -0.81 0.00 0.00 59.98 58.27 3if6 h ARG 114 Cb 0.49 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3if6 h ARG 114 CO 0.03 1.30 -0.52 0.66 -1.51 0.00 0.00 179.97 179.93 3if6 h SER 115 N 0.43 0.87 -0.73 -3.80 4.64 -1.90 -1.74 113.55 111.31 3if6 h SER 115 Ca -0.11 -0.45 -0.02 0.00 -0.47 0.00 0.00 61.79 60.75 3if6 h SER 115 Cb 1.60 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 63.41 3if6 h SER 115 CO 0.19 1.22 0.39 0.00 -0.87 0.00 0.00 176.83 177.76 3if6 h ALA 116 N 0.80 0.94 -0.79 5.18 0.00 -1.34 0.40 119.26 124.44 3if6 h ALA 116 Ca 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3if6 h ALA 116 Cb 1.10 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3if6 h ALA 116 CO 0.11 0.46 0.37 1.98 0.00 0.00 0.00 179.25 182.17 3if6 h MET 117 N 1.01 1.16 0.00 0.00 -1.53 -1.25 -3.22 114.93 111.09 3if6 h MET 117 Ca 0.26 -0.18 0.00 0.00 -3.44 0.00 0.00 59.70 56.34 3if6 h MET 117 Cb 0.05 -0.20 0.00 0.00 -0.55 0.00 0.00 31.60 30.90 3if6 h MET 117 CO -0.04 0.90 -0.33 0.00 0.14 0.00 0.00 176.91 177.58 3if6 h ARG 118 N 1.13 0.00 0.00 0.39 3.08 -0.51 -3.47 114.38 115.00 3if6 h ARG 118 Ca 0.27 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.84 3if6 h ARG 118 Cb 0.14 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.12 3if6 h ARG 118 CO -0.03 0.00 -0.30 0.27 -1.07 0.00 0.00 179.97 178.84 3if6 n ASN 119 N -2.42 2.77 -0.38 7.04 0.23 0.06 -5.06 115.26 117.50 3if6 n ASN 119 Ca 0.04 -2.59 0.06 0.00 -0.53 0.00 0.00 54.58 51.55 3if6 n ASN 119 Cb 0.47 0.15 0.03 0.00 -2.08 0.00 0.00 39.78 38.34 3if6 n ASN 119 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3if6 n SER 120 N -1.50 1.70 -4.65 0.53 7.64 -1.26 -4.91 113.62 111.17 3if6 n SER 120 Ca -0.10 -1.35 -0.42 0.00 1.01 0.00 0.00 58.87 58.00 3if6 n SER 120 Cb 0.48 0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 63.83 3if6 n SER 120 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3if6 s THR 121 N -1.14 3.26 -0.40 0.44 2.01 -1.26 -4.93 115.64 113.61 3if6 s THR 121 Ca 0.12 0.31 0.23 0.00 0.31 0.00 0.00 61.69 62.65 3if6 s THR 121 Cb 0.09 -3.21 0.27 0.00 0.01 0.00 0.00 72.50 69.66 3if6 s THR 121 CO 0.19 -0.04 1.50 -0.37 -0.69 0.00 0.00 174.62 175.21 3if6 h VAL 122 N 5.74 0.00 0.00 3.82 -1.51 -1.98 -3.40 116.25 118.92 3if6 h VAL 122 Ca -0.44 -0.99 -0.05 0.00 -1.23 0.00 0.00 66.70 63.98 3if6 h VAL 122 Cb 1.21 1.89 -0.01 0.00 -2.13 0.00 0.00 31.29 32.25 3if6 h VAL 122 CO 0.95 0.00 -0.25 4.11 -1.23 0.00 0.00 177.57 181.15 3if6 h TRP 123 N 0.00 0.00 -0.19 5.19 5.08 -1.99 -2.78 115.95 121.26 3if6 h TRP 123 Ca 0.00 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.80 3if6 h TRP 123 Cb 1.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.16 3if6 h TRP 123 CO 0.00 0.25 -0.56 0.28 -1.28 0.00 0.00 178.44 177.13 3if6 h VAL 124 N 0.00 1.31 -0.00 0.12 2.07 -2.00 -0.02 116.25 117.73 3if6 h VAL 124 Ca -0.00 -1.79 -0.19 0.00 0.82 0.00 0.00 66.70 65.54 3if6 h VAL 124 Cb 0.68 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 3if6 h VAL 124 CO 0.03 0.56 -0.85 1.88 0.02 0.00 0.00 177.57 179.22 3if6 h TYR 125 N 0.42 0.23 -0.80 1.57 -1.99 -1.85 -2.07 116.97 112.48 3if6 h TYR 125 Ca -0.02 -0.13 -0.03 0.00 2.00 0.00 0.00 58.73 60.56 3if6 h TYR 125 Cb 1.18 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.85 3if6 h TYR 125 CO 0.09 0.93 0.38 0.93 -0.00 0.00 0.00 178.16 180.49 3if6 h GLU 126 N 0.09 1.16 -0.23 4.88 5.08 -1.46 -0.65 114.58 123.46 3if6 h GLU 126 Ca -0.03 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3if6 h GLU 126 Cb 1.46 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 3if6 h GLU 126 CO 0.13 0.90 0.04 1.25 -1.00 0.00 0.00 179.01 180.33 3if6 h LEU 127 N 1.14 0.01 -0.41 1.33 5.85 -0.73 -2.22 115.31 120.28 3if6 h LEU 127 Ca 0.28 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.06 3if6 h LEU 127 Cb 0.13 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3if6 h LEU 127 CO -0.03 0.03 0.20 -0.26 -0.34 0.00 0.00 178.44 178.05 3if6 h PHE 128 N 0.13 0.38 -0.27 1.25 0.04 -1.07 -2.02 116.94 115.37 3if6 h PHE 128 Ca 0.11 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.92 3if6 h PHE 128 Cb 0.11 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 3if6 h PHE 128 CO -0.15 0.20 0.10 0.00 -0.60 0.00 0.00 178.31 177.85 3if6 h ALA 129 N 1.21 0.31 -0.58 2.45 0.00 -0.88 -1.78 119.26 120.00 3if6 h ALA 129 Ca 0.17 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3if6 h ALA 129 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3if6 h ALA 129 CO -0.12 -0.31 0.33 0.87 0.00 0.00 0.00 179.25 180.03 3if6 h LYS 130 N 0.23 0.62 0.00 0.00 6.56 -1.02 0.15 116.57 123.11 3if6 h LYS 130 Ca 0.12 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 3if6 h LYS 130 Cb 0.08 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.60 3if6 h LYS 130 CO -0.12 0.41 0.00 -0.44 -2.06 0.00 0.00 179.45 177.24 3if6 h ASP 131 N 0.64 0.00 0.07 0.86 5.19 -1.12 -3.08 116.42 118.98 3if6 h ASP 131 Ca 0.24 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.28 3if6 h ASP 131 Cb 0.08 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.55 3if6 h ASP 131 CO -0.13 0.00 -2.18 -0.38 -3.12 0.00 0.00 179.24 173.43 3if6 n ILE 132 N -3.00 1.66 -0.15 0.35 5.41 -0.69 -4.94 119.36 118.00 3if6 n ILE 132 Ca -0.01 -0.61 0.02 0.00 1.00 0.00 0.00 62.75 63.15 3if6 n ILE 132 Cb 0.20 -1.62 -0.01 0.00 -0.71 0.00 0.00 39.64 37.50 3if6 n ILE 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3if6 n GLY 133 N 2.08 -2.34 0.25 7.39 0.00 0.46 -4.05 105.19 108.99 3if6 n GLY 133 Ca -0.38 -1.43 0.12 0.00 0.00 0.00 0.00 46.02 44.32 3if6 n GLY 133 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3if6 h GLU 134 N -0.15 0.00 0.00 1.61 4.81 -1.91 -2.80 114.58 116.14 3if6 h GLU 134 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3if6 h GLU 134 Cb 0.14 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 3if6 h GLU 134 CO 0.01 0.16 -0.06 -0.44 -0.73 0.00 0.00 179.01 177.95 3if6 h ASP 135 N 0.00 0.00 -0.67 1.04 3.32 -1.99 -2.02 116.42 116.10 3if6 h ASP 135 Ca -0.00 -0.81 0.05 0.00 0.02 0.00 0.00 57.03 56.29 3if6 h ASP 135 Cb 0.45 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 3if6 h ASP 135 CO 0.02 0.94 0.39 0.11 -1.72 0.00 0.00 179.24 178.98 3if6 h LYS 136 N -1.00 0.70 -0.24 3.56 1.57 -1.70 -1.49 116.57 117.97 3if6 h LYS 136 Ca -0.02 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3if6 h LYS 136 Cb 0.85 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.94 3if6 h LYS 136 CO -0.01 0.47 -0.20 0.00 -0.57 0.00 0.00 179.45 179.13 3if6 h ALA 137 N 1.33 -0.06 -0.36 3.86 0.00 -1.58 0.29 119.26 122.75 3if6 h ALA 137 Ca 0.29 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.36 3if6 h ALA 137 Cb 0.15 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 3if6 h ALA 137 CO -0.16 -0.62 -0.31 0.00 0.00 0.00 0.00 179.25 178.15 3if6 h ARG 138 N -0.20 -0.25 -0.49 0.00 3.08 -0.89 0.49 114.38 116.12 3if6 h ARG 138 Ca 0.14 0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.10 3if6 h ARG 138 Cb 0.41 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3if6 h ARG 138 CO -0.36 -0.17 -0.08 -0.09 -1.07 0.00 0.00 179.97 178.20 3if6 h ARG 139 N -0.26 0.93 -0.18 0.04 2.43 -1.09 -2.11 114.38 114.14 3if6 h ARG 139 Ca 0.16 -0.34 0.01 0.00 -0.81 0.00 0.00 59.98 59.01 3if6 h ARG 139 Cb 0.53 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 3if6 h ARG 139 CO -0.51 0.99 0.08 1.88 -1.51 0.00 0.00 179.97 180.90 3if6 h TYR 140 N 0.78 0.14 -0.70 2.20 0.05 0.19 0.07 116.97 119.70 3if6 h TYR 140 Ca 0.13 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.92 3if6 h TYR 140 Cb 0.63 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.30 3if6 h TYR 140 CO 0.05 0.08 0.45 -0.07 -1.05 0.00 0.00 178.16 177.62 3if6 h LEU 141 N 0.17 0.81 -0.14 3.88 3.38 0.16 -2.29 115.31 121.29 3if6 h LEU 141 Ca 0.07 -0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.78 3if6 h LEU 141 Cb 0.03 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.59 3if6 h LEU 141 CO -0.06 0.59 -0.86 0.11 0.09 0.00 0.00 178.44 178.32 3if6 h LYS 142 N 0.95 0.73 -0.98 1.13 1.57 -1.26 -0.58 116.57 118.13 3if6 h LYS 142 Ca 0.25 -0.65 0.16 0.00 -1.87 0.00 0.00 60.65 58.54 3if6 h LYS 142 Cb -0.09 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.28 3if6 h LYS 142 CO -0.05 1.25 0.61 1.96 -0.57 0.00 0.00 179.45 182.65 3if6 h GLN 143 N 0.47 0.79 -0.02 3.15 4.20 -0.66 -2.39 115.11 120.65 3if6 h GLN 143 Ca -0.07 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3if6 h GLN 143 Cb 1.49 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.09 3if6 h GLN 143 CO 0.17 0.52 -0.13 0.44 -0.67 0.00 0.00 178.83 179.16 3if6 n ILE 144 N -4.66 0.00 -3.50 2.54 -5.35 -0.89 -4.82 119.36 102.68 3if6 n ILE 144 Ca 0.21 -0.43 -0.20 0.00 -0.27 0.00 0.00 62.75 62.05 3if6 n ILE 144 Cb 0.49 1.32 0.08 0.00 -1.74 0.00 0.00 39.64 39.79 3if6 n ILE 144 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3if6 n ASP 145 N 0.63 -4.18 -4.45 7.28 2.03 -0.33 -4.85 116.55 112.67 3if6 n ASP 145 Ca 0.10 -0.58 -0.44 0.00 0.52 0.00 0.00 54.79 54.39 3if6 n ASP 145 Cb 0.43 -5.05 -0.03 0.00 -0.72 0.00 0.00 41.12 35.75 3if6 n ASP 145 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3if6 s TYR 146 N -3.34 3.06 0.00 -0.67 5.04 -0.59 -4.95 117.35 115.91 3if6 s TYR 146 Ca 0.29 -1.28 0.00 0.00 -2.44 0.00 0.00 57.07 53.64 3if6 s TYR 146 Cb -0.13 -4.28 0.00 0.00 0.35 0.00 0.00 41.96 37.90 3if6 s TYR 146 CO 0.72 -1.51 0.00 0.41 -1.34 0.00 0.00 175.55 173.84 3if6 n GLY 147 N 5.49 3.42 0.52 8.97 0.00 -1.26 -1.64 105.19 120.68 3if6 n GLY 147 Ca 0.20 -0.10 0.42 0.00 0.00 0.00 0.00 46.02 46.55 3if6 n GLY 147 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3if6 n ASN 148 N 4.16 0.14 -0.14 1.61 2.85 0.07 -4.87 115.26 119.07 3if6 n ASN 148 Ca 0.00 1.19 -0.01 0.00 -0.11 0.00 0.00 54.58 55.65 3if6 n ASN 148 Cb 0.00 -0.59 -0.01 0.00 1.24 0.00 0.00 39.78 40.42 3if6 n ASN 148 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 3if6 n VAL 149 N -4.35 0.00 -3.86 3.44 0.24 -0.65 -4.97 118.33 108.17 3if6 n VAL 149 Ca 0.40 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.34 3if6 n VAL 149 Cb 1.62 -0.77 -0.13 0.00 -1.47 0.00 0.00 33.84 33.09 3if6 n VAL 149 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3if6 s ASP 150 N -1.49 5.03 -0.15 -1.34 2.15 -1.26 -4.60 116.67 115.01 3if6 s ASP 150 Ca 0.00 -1.56 -0.01 0.00 0.43 0.00 0.00 52.55 51.41 3if6 s ASP 150 Cb 0.00 -1.75 0.07 0.00 -0.30 0.00 0.00 42.92 40.93 3if6 s ASP 150 CO 0.00 -0.36 2.18 -0.81 -0.17 0.00 0.00 175.17 176.01 3if6 n PRO 151 N 4.60 1.47 -1.18 4.34 -0.04 -1.26 -2.05 135.00 140.89 3if6 n PRO 151 Ca -0.09 -0.83 -0.34 0.00 -0.04 0.00 0.00 63.50 62.20 3if6 n PRO 151 Cb 0.43 -1.38 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 3if6 n PRO 151 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3if6 n SER 152 N 1.09 6.69 0.00 3.54 7.64 -1.26 -4.82 113.62 126.50 3if6 n SER 152 Ca 0.18 -2.53 0.00 0.00 1.01 0.00 0.00 58.87 57.53 3if6 n SER 152 Cb 0.57 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 3if6 n SER 152 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3if6 n GLY 156 N 3.75 0.00 3.67 0.23 0.00 -1.26 -3.38 105.19 108.20 3if6 n GLY 156 Ca 0.64 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.24 3if6 n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3if6 s ASP 157 N -1.86 6.63 0.55 1.61 1.01 -1.26 -4.79 116.67 118.55 3if6 s ASP 157 Ca 0.00 2.36 0.30 0.00 0.71 0.00 0.00 52.55 55.92 3if6 s ASP 157 Cb 0.00 -2.54 1.58 0.00 1.01 0.00 0.00 42.92 42.97 3if6 s ASP 157 CO 0.00 -0.92 2.11 0.10 0.21 0.00 0.00 175.17 176.66 3if6 h TYR 158 N 9.29 0.00 -0.00 4.23 -0.00 -1.88 0.37 116.97 128.98 3if6 h TYR 158 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.31 3if6 h TYR 158 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.92 3if6 h TYR 158 CO 0.86 0.09 -0.21 -2.67 -0.00 0.00 0.00 178.16 176.23 3if6 n TRP 159 N -3.52 0.00 0.00 0.10 2.14 -1.26 -2.66 117.44 112.24 3if6 n TRP 159 Ca -0.02 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.55 3if6 n TRP 159 Cb 0.22 -0.19 0.00 0.00 -0.81 0.00 0.00 31.31 30.53 3if6 n TRP 159 CO 0.00 0.00 0.00 0.44 2.07 0.00 0.00 177.69 180.20 3if6 n ILE 160 N -0.96 0.00 0.35 -1.67 -6.64 -1.11 -1.11 119.36 108.22 3if6 n ILE 160 Ca 0.12 0.00 0.08 0.00 -1.77 0.00 0.00 62.75 61.18 3if6 n ILE 160 Cb 0.31 -0.37 -0.11 0.00 -1.44 0.00 0.00 39.64 38.03 3if6 n ILE 160 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 3if6 n ASP 161 N -2.02 0.98 -1.39 7.28 8.00 0.12 -4.98 116.55 124.54 3if6 n ASP 161 Ca 0.00 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.10 3if6 n ASP 161 Cb 0.32 1.42 0.00 0.00 -0.02 0.00 0.00 41.12 42.84 3if6 n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3if6 n GLY 162 N 1.47 1.00 0.87 0.44 0.00 -0.77 -4.71 105.19 103.50 3if6 n GLY 162 Ca -0.00 -1.79 0.10 0.00 0.00 0.00 0.00 46.02 44.32 3if6 n GLY 162 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3if6 n ASN 163 N 0.00 2.92 -4.75 1.61 5.03 -1.22 -4.88 115.26 113.98 3if6 n ASN 163 Ca 0.00 -1.86 -0.41 0.00 0.87 0.00 0.00 54.58 53.18 3if6 n ASN 163 Cb 0.00 -0.13 -0.03 0.00 -1.02 0.00 0.00 39.78 38.60 3if6 n ASN 163 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3if6 s LEU 164 N -1.39 4.43 -0.17 3.41 2.96 -0.87 -4.82 118.68 122.23 3if6 s LEU 164 Ca 0.28 2.49 -0.18 0.00 -0.22 0.00 0.00 54.13 56.51 3if6 s LEU 164 Cb 0.17 -3.62 0.05 0.00 0.50 0.00 0.00 46.19 43.29 3if6 s LEU 164 CO 0.25 -0.52 0.50 -0.54 -1.32 0.00 0.00 176.35 174.72 3if6 s LYS 165 N -0.68 0.61 0.05 1.98 1.02 -1.26 -4.02 119.74 117.44 3if6 s LYS 165 Ca 0.54 0.63 -0.06 0.00 0.02 0.00 0.00 55.97 57.10 3if6 s LYS 165 Cb -0.38 0.29 -0.01 0.00 -0.52 0.00 0.00 37.83 37.22 3if6 s LYS 165 CO 0.43 -0.09 0.10 -1.50 -0.92 0.00 0.00 175.35 173.37 3if6 s ILE 166 N 0.12 0.15 0.30 2.17 2.07 0.12 -0.75 121.20 125.37 3if6 s ILE 166 Ca -0.01 -1.22 0.07 0.00 -1.41 0.00 0.00 60.65 58.08 3if6 s ILE 166 Cb -0.03 -1.10 -0.03 0.00 0.13 0.00 0.00 42.46 41.42 3if6 s ILE 166 CO 0.01 -0.67 0.26 -0.94 -1.91 0.00 0.00 174.94 171.69 3if6 s SER 167 N -2.43 5.43 0.26 4.50 1.04 -1.25 0.13 113.70 121.38 3if6 s SER 167 Ca -0.01 -0.37 -0.02 0.00 0.48 0.00 0.00 55.95 56.03 3if6 s SER 167 Cb 0.02 -1.17 0.55 0.00 0.10 0.00 0.00 66.02 65.52 3if6 s SER 167 CO -0.07 -0.23 1.70 0.00 0.98 0.00 0.00 173.24 175.62 3if6 h ALA 168 N 1.33 1.14 -0.88 5.32 0.00 -1.71 0.13 119.26 124.59 3if6 h ALA 168 Ca -0.46 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3if6 h ALA 168 Cb 1.25 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 3if6 h ALA 168 CO 0.59 -0.31 0.52 0.45 0.00 0.00 0.00 179.25 180.50 3if6 h HIS 169 N 0.35 1.18 -0.16 0.00 3.86 -1.85 -2.62 115.15 115.91 3if6 h HIS 169 Ca 0.47 -0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.55 3if6 h HIS 169 Cb 0.81 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 3if6 h HIS 169 CO -0.20 0.80 -0.40 0.93 0.86 0.00 0.00 177.93 179.91 3if6 h GLU 170 N 1.22 0.36 -0.60 2.45 5.08 -1.51 -2.32 114.58 119.26 3if6 h GLU 170 Ca 0.32 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3if6 h GLU 170 Cb -0.02 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3if6 h GLU 170 CO -0.06 0.71 0.39 1.96 -1.00 0.00 0.00 179.01 181.01 3if6 h GLN 171 N 0.30 0.76 -0.76 2.33 1.08 -0.70 -1.78 115.11 116.34 3if6 h GLN 171 Ca 0.03 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 3if6 h GLN 171 Cb 0.85 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 28.07 3if6 h GLN 171 CO 0.07 0.50 0.31 0.82 -0.95 0.00 0.00 178.83 179.58 3if6 h ILE 172 N 0.79 1.25 -0.17 2.54 1.08 -1.19 0.20 117.51 122.00 3if6 h ILE 172 Ca 0.23 -0.79 -0.18 0.00 -0.39 0.00 0.00 64.86 63.72 3if6 h ILE 172 Cb -0.05 0.34 0.01 0.00 -3.07 0.00 0.00 36.82 34.04 3if6 h ILE 172 CO -0.07 0.32 -0.61 -0.07 -0.69 0.00 0.00 178.15 177.04 3if6 h LEU 173 N 1.10 0.84 -0.22 1.44 3.38 -1.28 -2.37 115.31 118.20 3if6 h LEU 173 Ca 0.26 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3if6 h LEU 173 Cb 0.20 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3if6 h LEU 173 CO -0.02 1.30 0.12 0.15 0.09 0.00 0.00 178.44 180.07 3if6 h PHE 174 N 0.43 0.31 -0.83 1.13 3.57 -1.09 -2.63 116.94 117.82 3if6 h PHE 174 Ca -0.03 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.50 3if6 h PHE 174 Cb 1.23 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.82 3if6 h PHE 174 CO 0.09 0.29 0.53 -0.07 -2.23 0.00 0.00 178.31 176.92 3if6 h LEU 175 N 0.25 0.89 -0.61 0.59 3.38 -0.92 -1.73 115.31 117.16 3if6 h LEU 175 Ca 0.08 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3if6 h LEU 175 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3if6 h LEU 175 CO -0.01 0.61 -0.07 -0.09 0.09 0.00 0.00 178.44 178.97 3if6 h ARG 176 N 1.04 1.02 -0.34 1.13 2.43 -1.43 0.38 114.38 118.60 3if6 h ARG 176 Ca 0.33 -0.35 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3if6 h ARG 176 Cb 0.01 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3if6 h ARG 176 CO -0.11 1.04 0.14 0.87 -1.51 0.00 0.00 179.97 180.40 3if6 h LYS 177 N 0.91 0.30 -0.46 0.20 1.57 -1.05 -0.86 116.57 117.19 3if6 h LYS 177 Ca 0.15 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3if6 h LYS 177 Cb 0.63 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 3if6 h LYS 177 CO 0.04 0.20 0.29 1.25 -0.57 0.00 0.00 179.45 180.65 3if6 h LEU 178 N 0.31 0.48 -0.67 2.94 5.85 -1.09 -0.82 115.31 122.30 3if6 h LEU 178 Ca 0.15 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.94 3if6 h LEU 178 Cb 0.09 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3if6 h LEU 178 CO -0.13 0.35 0.35 0.22 -0.34 0.00 0.00 178.44 178.88 3if6 h TYR 179 N 0.58 0.63 -0.01 1.25 3.20 -0.70 -2.00 116.97 119.93 3if6 h TYR 179 Ca 0.17 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3if6 h TYR 179 Cb -0.03 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.06 3if6 h TYR 179 CO -0.06 0.26 0.00 0.54 -1.64 0.00 0.00 178.16 177.27 3if6 n ARG 180 N -4.84 1.11 -3.10 1.82 5.12 -0.35 -4.93 116.66 111.49 3if6 n ARG 180 Ca 0.09 -0.16 -0.18 0.00 -1.93 0.00 0.00 57.85 55.67 3if6 n ARG 180 Cb 0.22 -1.48 0.05 0.00 -1.16 0.00 0.00 32.46 30.09 3if6 n ARG 180 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3if6 n ASN 181 N -0.79 -5.31 -0.54 0.55 3.02 -0.61 -4.95 115.26 106.64 3if6 n ASN 181 Ca 0.22 -0.32 0.06 0.00 -0.03 0.00 0.00 54.58 54.51 3if6 n ASN 181 Cb 0.15 -4.03 0.15 0.00 -0.61 0.00 0.00 39.78 35.43 3if6 n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3if6 n GLN 182 N -3.67 2.80 -2.36 3.52 6.02 -0.41 -4.93 117.38 118.34 3if6 n GLN 182 Ca -0.04 -2.17 -0.32 0.00 -0.01 0.00 0.00 57.00 54.45 3if6 n GLN 182 Cb 0.57 -1.37 -0.03 0.00 1.02 0.00 0.00 30.24 30.43 3if6 n GLN 182 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3if6 s LEU 183 N -1.56 3.61 -1.12 1.08 1.43 -1.26 -4.93 118.68 115.94 3if6 s LEU 183 Ca 0.24 1.60 -0.14 0.00 -1.03 0.00 0.00 54.13 54.80 3if6 s LEU 183 Cb 0.16 -4.51 -0.07 0.00 0.03 0.00 0.00 46.19 41.80 3if6 s LEU 183 CO 0.10 -0.65 2.21 -0.81 0.23 0.00 0.00 176.35 177.44 3if6 n PRO 184 N -1.63 2.34 -3.88 1.29 -0.04 -1.26 -4.81 135.00 127.01 3if6 n PRO 184 Ca 0.07 -1.99 -0.10 0.00 -0.04 0.00 0.00 63.50 61.45 3if6 n PRO 184 Cb 0.54 -2.87 -0.08 0.00 -0.04 0.00 0.00 33.50 31.05 3if6 n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3if6 s PHE 185 N 3.69 0.14 0.44 0.54 0.08 -1.26 -5.09 117.98 116.52 3if6 s PHE 185 Ca 0.52 -0.45 -0.25 0.00 0.12 0.00 0.00 56.93 56.87 3if6 s PHE 185 Cb 0.14 -0.08 -0.09 0.00 -0.57 0.00 0.00 43.02 42.41 3if6 s PHE 185 CO -0.00 -0.44 1.19 1.63 -0.10 0.00 0.00 175.22 177.49 3if6 n LYS 186 N 0.47 1.69 -0.27 0.44 5.02 -1.26 -4.85 118.16 119.40 3if6 n LYS 186 Ca -0.18 0.61 0.03 0.00 -2.02 0.00 0.00 58.31 56.75 3if6 n LYS 186 Cb 0.60 -2.28 0.24 0.00 -0.02 0.00 0.00 35.03 33.57 3if6 n LYS 186 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3if6 h VAL 187 N 1.81 1.12 -0.83 -0.18 2.07 -1.93 -1.92 116.25 116.39 3if6 h VAL 187 Ca -0.47 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 66.72 3if6 h VAL 187 Cb 1.31 -0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3if6 h VAL 187 CO 0.58 0.19 0.55 1.05 0.02 0.00 0.00 177.57 179.96 3if6 h GLU 188 N 1.03 1.06 -0.46 1.57 4.11 -1.99 0.12 114.58 120.02 3if6 h GLU 188 Ca 0.35 -0.06 -0.12 0.00 0.07 0.00 0.00 59.36 59.59 3if6 h GLU 188 Cb 0.08 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3if6 h GLU 188 CO -0.11 0.70 -0.18 0.45 0.07 0.00 0.00 179.01 179.94 3if6 h HIS 189 N 1.09 1.01 -0.04 2.06 3.86 -1.71 -1.48 115.15 119.95 3if6 h HIS 189 Ca 0.31 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3if6 h HIS 189 Cb -0.07 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.15 3if6 h HIS 189 CO -0.00 1.00 0.02 1.96 0.86 0.00 0.00 177.93 181.77 3if6 h GLN 190 N 0.79 0.05 -0.30 2.45 4.20 -1.08 -1.55 115.11 119.68 3if6 h GLN 190 Ca 0.11 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.87 3if6 h GLN 190 Cb 0.72 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.44 3if6 h GLN 190 CO 0.06 0.19 -0.04 0.00 -0.67 0.00 0.00 178.83 178.36 3if6 h ARG 191 N -0.09 0.04 -0.04 1.46 3.08 -1.00 -0.53 114.38 117.30 3if6 h ARG 191 Ca 0.01 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.10 3if6 h ARG 191 Cb 0.15 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 3if6 h ARG 191 CO -0.00 0.02 -0.29 1.25 -1.07 0.00 0.00 179.97 179.89 3if6 h LEU 192 N 0.04 -0.87 -0.78 3.04 5.85 -1.12 0.14 115.31 121.61 3if6 h LEU 192 Ca 0.14 0.12 0.03 0.00 0.84 0.00 0.00 57.88 59.01 3if6 h LEU 192 Cb 0.21 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 3if6 h LEU 192 CO -0.28 -0.35 0.50 0.58 -0.34 0.00 0.00 178.44 178.56 3if6 h VAL 193 N -0.41 1.13 0.00 1.05 2.07 -1.14 0.22 116.25 119.17 3if6 h VAL 193 Ca 0.07 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3if6 h VAL 193 Cb 0.52 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3if6 h VAL 193 CO -0.27 0.18 -0.20 0.11 0.02 0.00 0.00 177.57 177.41 3if6 h LYS 194 N 0.98 0.00 -0.04 1.57 1.57 -0.35 -1.42 116.57 118.88 3if6 h LYS 194 Ca 0.31 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.88 3if6 h LYS 194 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3if6 h LYS 194 CO -0.11 0.20 -0.86 0.22 -0.57 0.00 0.00 179.45 178.34 3if6 h ASP 195 N 0.00 0.56 0.55 0.86 3.58 0.79 -3.22 116.42 119.54 3if6 h ASP 195 Ca -0.00 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.04 3if6 h ASP 195 Cb 0.38 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.26 3if6 h ASP 195 CO 0.03 1.19 0.00 -0.07 -2.88 0.00 0.00 179.24 177.50 3if6 h LEU 196 N 0.28 0.00 -0.15 2.28 3.38 0.46 -2.85 115.31 118.71 3if6 h LEU 196 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3if6 h LEU 196 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3if6 h LEU 196 CO 0.15 0.00 -0.61 0.23 0.09 0.00 0.00 178.44 178.30 3if6 n MET 197 N -2.65 0.22 -1.65 1.13 2.81 -1.02 -4.84 117.12 111.13 3if6 n MET 197 Ca 0.00 -0.15 -0.43 0.00 -1.81 0.00 0.00 57.70 55.31 3if6 n MET 197 Cb 0.19 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 3if6 n MET 197 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3if6 n ILE 198 N -1.26 0.68 0.20 2.02 5.41 -1.08 -0.38 119.36 124.95 3if6 n ILE 198 Ca 0.06 -0.20 0.09 0.00 1.00 0.00 0.00 62.75 63.70 3if6 n ILE 198 Cb 0.35 -2.33 -0.13 0.00 -0.71 0.00 0.00 39.64 36.82 3if6 n ILE 198 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3if6 n THR 199 N 5.96 0.00 -3.59 1.39 -2.24 -0.73 -4.92 114.28 110.14 3if6 n THR 199 Ca 0.22 -0.33 -0.07 0.00 -2.27 0.00 0.00 64.05 61.61 3if6 n THR 199 Cb 0.41 0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 3if6 n THR 199 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3if6 s GLU 200 N -3.08 0.40 0.01 -0.78 2.12 -1.20 -5.04 118.70 111.14 3if6 s GLU 200 Ca -0.03 0.01 -0.28 0.00 0.36 0.00 0.00 54.97 55.03 3if6 s GLU 200 Cb 0.12 0.19 0.10 0.00 0.26 0.00 0.00 34.13 34.79 3if6 s GLU 200 CO 0.73 -0.14 0.83 0.00 -0.54 0.00 0.00 175.26 176.14 3if6 s ALA 201 N -1.53 -1.79 0.00 6.30 0.00 -1.26 -0.46 121.76 123.02 3if6 s ALA 201 Ca 0.04 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.97 3if6 s ALA 201 Cb -0.01 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.51 3if6 s ALA 201 CO -0.03 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.48 3if6 n GLY 202 N -0.14 4.18 0.36 0.00 0.00 -0.19 -5.01 105.19 104.38 3if6 n GLY 202 Ca -0.11 -1.73 0.08 0.00 0.00 0.00 0.00 46.02 44.26 3if6 n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3if6 h ARG 203 N 0.00 0.70 0.00 1.61 -0.00 -2.03 -3.24 114.38 111.42 3if6 h ARG 203 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 3if6 h ARG 203 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 29.97 29.81 3if6 h ARG 203 CO 0.00 0.46 -0.65 0.43 0.00 0.00 0.00 179.97 180.21 3if6 n SER 204 N -4.49 0.98 -3.83 7.04 7.64 -1.26 -5.04 113.62 114.67 3if6 n SER 204 Ca 0.12 -0.55 -0.12 0.00 1.01 0.00 0.00 58.87 59.33 3if6 n SER 204 Cb 0.28 1.10 -0.10 0.00 -1.01 0.00 0.00 64.21 64.48 3if6 n SER 204 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 3if6 s TRP 205 N -2.03 -0.08 -0.08 1.43 1.48 -1.22 -3.73 118.94 114.71 3if6 s TRP 205 Ca 0.02 0.12 0.01 0.00 -1.06 0.00 0.00 56.10 55.19 3if6 s TRP 205 Cb 0.07 0.02 0.02 0.00 -1.16 0.00 0.00 33.47 32.41 3if6 s TRP 205 CO 0.37 -0.28 -0.08 0.42 -4.06 0.00 0.00 176.95 173.32 3if6 s ILE 206 N -1.06 0.93 -0.23 0.66 1.01 -1.07 -1.02 121.20 120.42 3if6 s ILE 206 Ca -0.11 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 3if6 s ILE 206 Cb -0.06 -0.92 -0.05 0.00 0.01 0.00 0.00 42.46 41.44 3if6 s ILE 206 CO 0.02 0.33 0.13 -0.22 0.00 0.00 0.00 174.94 175.21 3if6 s LEU 207 N 1.22 3.99 -0.18 2.97 2.96 0.39 -1.11 118.68 128.92 3if6 s LEU 207 Ca -0.05 0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3if6 s LEU 207 Cb -0.14 -2.06 0.05 0.00 0.50 0.00 0.00 46.19 44.53 3if6 s LEU 207 CO -0.02 0.07 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.90 3if6 s ARG 208 N 1.02 1.45 0.13 1.98 0.52 -0.19 -1.78 118.95 122.08 3if6 s ARG 208 Ca 0.07 -0.62 -0.17 0.00 -0.52 0.00 0.00 55.73 54.49 3if6 s ARG 208 Cb -0.14 -2.15 0.04 0.00 0.52 0.00 0.00 34.95 33.23 3if6 s ARG 208 CO 0.04 -0.48 0.44 0.00 0.02 0.00 0.00 175.30 175.32 3if6 s ALA 209 N 1.59 -1.05 -0.11 2.13 0.00 0.49 -1.13 121.76 123.69 3if6 s ALA 209 Ca -0.01 0.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 3if6 s ALA 209 Cb -0.16 0.73 0.05 0.00 0.00 0.00 0.00 23.12 23.74 3if6 s ALA 209 CO -0.07 -0.67 0.27 0.21 0.00 0.00 0.00 175.76 175.49 3if6 s LYS 210 N -3.80 0.24 0.56 0.00 2.47 0.12 -4.78 119.74 114.56 3if6 s LYS 210 Ca 0.03 0.54 -0.03 0.00 -1.56 0.00 0.00 55.97 54.95 3if6 s LYS 210 Cb 0.01 -0.07 0.02 0.00 -1.46 0.00 0.00 37.83 36.33 3if6 s LYS 210 CO -0.12 -0.15 0.83 0.95 0.16 0.00 0.00 175.35 177.03 3if6 s THR 211 N 1.13 3.40 0.01 3.43 -4.23 -1.26 -1.49 115.64 116.62 3if6 s THR 211 Ca -0.08 -0.28 -0.19 0.00 -1.18 0.00 0.00 61.69 59.96 3if6 s THR 211 Cb -0.09 -3.32 0.04 0.00 1.34 0.00 0.00 72.50 70.46 3if6 s THR 211 CO -0.08 -0.29 0.42 -0.83 -0.54 0.00 0.00 174.62 173.30 3if6 s GLY 212 N -4.33 -0.28 -0.08 3.99 0.00 -1.05 -3.07 107.32 102.50 3if6 s GLY 212 Ca 0.54 0.47 -0.05 0.00 0.00 0.00 0.00 44.72 45.68 3if6 s GLY 212 CO 0.42 0.21 0.20 0.86 0.00 0.00 0.00 173.10 174.80 3if6 s TRP 213 N -1.85 -0.25 -0.13 1.90 -0.00 -1.26 -0.80 118.94 116.54 3if6 s TRP 213 Ca -0.09 0.62 0.19 0.00 -0.00 0.00 0.00 56.10 56.83 3if6 s TRP 213 Cb -0.02 0.01 -0.28 0.00 -0.00 0.00 0.00 33.47 33.17 3if6 s TRP 213 CO 0.02 -0.18 0.24 -1.91 -0.00 0.00 0.00 176.95 175.12 3if6 n GLU 214 N 3.91 0.69 0.00 5.86 0.00 -0.10 -4.69 120.64 126.32 3if6 n GLU 214 Ca -0.23 -0.09 0.00 0.00 0.00 0.00 0.00 57.16 56.85 3if6 n GLU 214 Cb 0.54 -1.51 0.00 0.00 0.00 0.00 0.00 31.44 30.46 3if6 n GLU 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3if6 n GLY 215 N 1.56 3.63 0.05 8.31 0.00 -1.26 -4.85 105.19 112.64 3if6 n GLY 215 Ca -0.21 -0.96 0.06 0.00 0.00 0.00 0.00 46.02 44.92 3if6 n GLY 215 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3if6 n ARG 216 N 0.00 0.65 -3.70 1.61 1.74 -1.26 -4.70 116.66 111.00 3if6 n ARG 216 Ca 0.00 -0.06 -0.10 0.00 -0.77 0.00 0.00 57.85 56.92 3if6 n ARG 216 Cb 0.00 -1.61 -0.05 0.00 -1.02 0.00 0.00 32.46 29.78 3if6 n ARG 216 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3if6 s PHE 217 N -3.24 -0.10 0.13 -1.55 -0.12 -1.26 0.44 117.98 112.28 3if6 s PHE 217 Ca -0.06 -0.24 -0.03 0.00 -0.05 0.00 0.00 56.93 56.54 3if6 s PHE 217 Cb 0.11 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.65 3if6 s PHE 217 CO 0.86 -0.67 0.11 0.20 -0.05 0.00 0.00 175.22 175.67 3if6 s GLY 218 N -2.82 0.81 0.27 1.99 0.00 0.28 -0.92 107.32 106.93 3if6 s GLY 218 Ca 0.04 -1.29 0.08 0.00 0.00 0.00 0.00 44.72 43.54 3if6 s GLY 218 CO -0.11 -1.22 -0.10 -0.98 0.00 0.00 0.00 173.10 170.69 3if6 s TRP 219 N -4.02 1.98 -0.08 1.90 0.52 0.02 -1.06 118.94 118.21 3if6 s TRP 219 Ca 0.21 -0.61 -0.03 0.00 0.02 0.00 0.00 56.10 55.68 3if6 s TRP 219 Cb 0.06 -1.06 0.04 0.00 -1.15 0.00 0.00 33.47 31.37 3if6 s TRP 219 CO 0.00 0.37 0.17 -0.46 0.02 0.00 0.00 176.95 177.05 3if6 s TRP 220 N -2.91 -0.20 0.09 -1.98 -0.00 -0.17 -2.51 118.94 111.27 3if6 s TRP 220 Ca 0.28 0.56 0.00 0.00 -0.00 0.00 0.00 56.10 56.95 3if6 s TRP 220 Cb 0.02 -0.09 -0.04 0.00 -0.00 0.00 0.00 33.47 33.35 3if6 s TRP 220 CO 0.12 -0.20 -0.03 0.14 -0.00 0.00 0.00 176.95 176.98 3if6 s VAL 221 N 1.41 0.46 -5.00 5.86 -7.23 -0.56 -1.19 120.40 114.16 3if6 s VAL 221 Ca -0.07 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 3if6 s VAL 221 Cb -0.12 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 35.10 3if6 s VAL 221 CO -0.06 -0.82 0.00 0.61 -0.31 0.00 0.00 175.10 174.52 3if6 n GLY 222 N -0.02 -0.02 3.55 2.32 0.00 -0.87 0.12 105.19 110.26 3if6 n GLY 222 Ca -0.11 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.54 3if6 n GLY 222 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3if6 s TRP 223 N -3.29 0.19 -0.08 1.61 -2.14 -0.28 -1.26 118.94 113.69 3if6 s TRP 223 Ca 0.00 -0.55 0.04 0.00 2.66 0.00 0.00 56.10 58.25 3if6 s TRP 223 Cb 0.00 0.24 0.00 0.00 -3.10 0.00 0.00 33.47 30.62 3if6 s TRP 223 CO 0.00 -0.94 -0.20 -1.50 -2.66 0.00 0.00 176.95 171.65 3if6 s ILE 224 N -3.96 1.72 -0.06 0.66 2.07 -1.08 -1.02 121.20 119.53 3if6 s ILE 224 Ca 0.17 -0.83 -0.11 0.00 -1.41 0.00 0.00 60.65 58.47 3if6 s ILE 224 Cb -0.00 -1.50 -0.05 0.00 0.13 0.00 0.00 42.46 41.04 3if6 s ILE 224 CO 0.04 0.48 0.28 -1.61 -1.91 0.00 0.00 174.94 172.22 3if6 s GLU 225 N 0.36 3.70 0.23 3.50 2.02 -0.26 -1.36 118.70 126.89 3if6 s GLU 225 Ca -0.15 0.15 0.06 0.00 0.02 0.00 0.00 54.97 55.05 3if6 s GLU 225 Cb -0.16 -3.21 -0.05 0.00 0.10 0.00 0.00 34.13 30.80 3if6 s GLU 225 CO 0.06 0.72 -0.08 -1.58 0.02 0.00 0.00 175.26 174.40 3if6 s TRP 226 N -1.01 1.74 0.56 1.61 0.52 -0.84 -2.58 118.94 118.95 3if6 s TRP 226 Ca 0.19 -0.70 0.32 0.00 0.02 0.00 0.00 56.10 55.93 3if6 s TRP 226 Cb -0.14 -0.93 1.45 0.00 -1.15 0.00 0.00 33.47 32.70 3if6 s TRP 226 CO 0.09 0.23 1.80 -1.35 0.02 0.00 0.00 176.95 177.74 3if6 h PRO 227 N 2.45 0.00 -0.00 4.98 0.11 -2.00 -1.75 132.00 135.78 3if6 h PRO 227 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3if6 h PRO 227 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3if6 h PRO 227 CO 0.65 0.00 -0.65 0.25 -0.21 0.00 0.00 178.00 178.03 3if6 n THR 228 N -3.94 0.00 0.00 -1.15 -2.24 -1.26 -5.05 114.28 100.64 3if6 n THR 228 Ca 0.18 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3if6 n THR 228 Cb 1.03 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 3if6 n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3if6 n GLY 229 N 1.46 1.99 3.92 3.38 0.00 -0.66 -4.39 105.19 110.89 3if6 n GLY 229 Ca 0.07 -1.72 -0.26 0.00 0.00 0.00 0.00 46.02 44.11 3if6 n GLY 229 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3if6 s PRO 230 N -1.64 3.04 -0.28 1.61 0.04 -1.26 -1.99 135.00 134.52 3if6 s PRO 230 Ca 0.00 -0.03 -0.00 0.00 0.04 0.00 0.00 61.00 61.01 3if6 s PRO 230 Cb 0.00 -2.32 0.08 0.00 0.04 0.00 0.00 34.50 32.30 3if6 s PRO 230 CO 0.00 -0.57 0.05 0.08 0.04 0.00 0.00 177.00 176.59 3if6 s VAL 231 N -2.90 1.14 0.40 -0.36 1.01 -0.47 -0.57 120.40 118.65 3if6 s VAL 231 Ca 0.52 -1.33 -0.23 0.00 0.00 0.00 0.00 61.98 60.94 3if6 s VAL 231 Cb -0.10 -1.71 -0.10 0.00 0.00 0.00 0.00 36.38 34.46 3if6 s VAL 231 CO 0.44 -0.45 0.98 -0.36 0.00 0.00 0.00 175.10 175.71 3if6 s PHE 232 N 1.52 3.37 0.01 5.22 0.40 -0.35 -2.62 117.98 125.52 3if6 s PHE 232 Ca 0.04 1.66 -0.05 0.00 -0.60 0.00 0.00 56.93 57.98 3if6 s PHE 232 Cb -0.18 -2.94 -0.00 0.00 0.51 0.00 0.00 43.02 40.40 3if6 s PHE 232 CO -0.16 -0.20 0.09 -0.59 0.70 0.00 0.00 175.22 175.06 3if6 s PHE 233 N -1.91 0.09 -0.28 0.36 -0.12 -0.39 -1.40 117.98 114.34 3if6 s PHE 233 Ca 0.59 -0.22 -0.01 0.00 -0.05 0.00 0.00 56.93 57.24 3if6 s PHE 233 Cb -0.15 -0.08 0.17 0.00 -0.63 0.00 0.00 43.02 42.33 3if6 s PHE 233 CO 0.19 -0.25 0.50 0.00 -0.05 0.00 0.00 175.22 175.61 3if6 s ALA 234 N -1.35 -1.74 -0.08 1.99 0.00 -0.70 -2.04 121.76 117.83 3if6 s ALA 234 Ca -0.15 1.31 0.02 0.00 0.00 0.00 0.00 51.96 53.14 3if6 s ALA 234 Cb -0.08 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 3if6 s ALA 234 CO 0.01 -1.37 -0.14 -1.17 0.00 0.00 0.00 175.76 173.09 3if6 s LEU 235 N 2.71 2.73 0.19 0.00 0.20 -0.33 -1.35 118.68 122.84 3if6 s LEU 235 Ca 0.16 -0.24 0.08 0.00 0.69 0.00 0.00 54.13 54.82 3if6 s LEU 235 Cb -0.15 -1.58 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 3if6 s LEU 235 CO -0.20 0.28 -0.16 0.54 -0.29 0.00 0.00 176.35 176.52 3if6 s ASN 236 N -0.33 2.65 0.11 3.68 4.22 -1.08 -1.00 114.94 123.19 3if6 s ASN 236 Ca 0.03 -0.95 -0.12 0.00 -2.14 0.00 0.00 52.86 49.67 3if6 s ASN 236 Cb -0.13 -0.15 0.02 0.00 1.28 0.00 0.00 41.25 42.27 3if6 s ASN 236 CO 0.02 -0.11 0.29 0.27 -2.04 0.00 0.00 177.10 175.54 3if6 s ILE 237 N -2.57 0.11 0.41 0.54 -4.36 -0.22 -1.85 121.20 113.26 3if6 s ILE 237 Ca 0.20 -0.88 -0.18 0.00 -0.26 0.00 0.00 60.65 59.53 3if6 s ILE 237 Cb -0.03 -1.25 -0.10 0.00 1.25 0.00 0.00 42.46 42.33 3if6 s ILE 237 CO 0.07 -0.48 0.88 -1.81 0.24 0.00 0.00 174.94 173.84 3if6 s ASP 238 N -2.83 6.82 -0.57 4.36 1.01 -0.13 -0.55 116.67 124.78 3if6 s ASP 238 Ca 0.04 1.52 0.06 0.00 0.71 0.00 0.00 52.55 54.88 3if6 s ASP 238 Cb 0.03 -2.48 0.30 0.00 1.01 0.00 0.00 42.92 41.78 3if6 s ASP 238 CO -0.11 -0.35 0.81 0.35 0.21 0.00 0.00 175.17 176.08 3if6 n THR 239 N -0.73 2.21 0.24 -1.27 -2.24 0.17 -4.70 114.28 107.96 3if6 n THR 239 Ca 0.06 -5.23 0.10 0.00 -2.27 0.00 0.00 64.05 56.71 3if6 n THR 239 Cb 0.54 -1.64 0.69 0.00 -2.10 0.00 0.00 70.33 67.82 3if6 n THR 239 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3if6 h PRO 240 N 3.56 0.00 -0.64 -0.78 0.13 -1.89 -0.99 132.00 131.39 3if6 h PRO 240 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3if6 h PRO 240 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 3if6 h PRO 240 CO 0.77 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.63 3if6 n ASN 241 N -4.40 3.91 0.00 1.44 5.03 -1.26 -5.04 115.26 114.95 3if6 n ASN 241 Ca -0.02 -2.24 0.00 0.00 0.87 0.00 0.00 54.58 53.19 3if6 n ASN 241 Cb 0.14 -0.50 0.00 0.00 -1.02 0.00 0.00 39.78 38.40 3if6 n ASN 241 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3if6 n ARG 242 N 1.11 0.00 0.22 3.52 5.12 -0.38 -2.46 116.66 123.79 3if6 n ARG 242 Ca 0.22 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.25 3if6 n ARG 242 Cb 0.70 0.00 0.69 0.00 -1.16 0.00 0.00 32.46 32.69 3if6 n ARG 242 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3if6 h THR 243 N 0.00 0.87 0.00 0.55 1.35 -1.95 -1.85 112.91 111.88 3if6 h THR 243 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3if6 h THR 243 Cb 0.00 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 3if6 h THR 243 CO 0.00 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.74 3if6 n ASP 244 N -4.38 0.00 -0.00 5.36 8.00 -1.03 -2.84 116.55 121.65 3if6 n ASP 244 Ca -0.01 0.29 0.08 0.00 0.71 0.00 0.00 54.79 55.86 3if6 n ASP 244 Cb 0.18 -0.41 -0.11 0.00 -0.02 0.00 0.00 41.12 40.77 3if6 n ASP 244 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3if6 n ASP 245 N -1.41 1.02 -0.12 -2.24 8.00 -0.70 -4.62 116.55 116.48 3if6 n ASP 245 Ca 0.06 -0.40 0.07 0.00 0.71 0.00 0.00 54.79 55.23 3if6 n ASP 245 Cb 0.18 1.40 0.40 0.00 -0.02 0.00 0.00 41.12 43.08 3if6 n ASP 245 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3if6 h LEU 246 N 0.00 0.57 -4.53 0.64 4.07 -1.51 -3.34 115.31 111.20 3if6 h LEU 246 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 3if6 h LEU 246 Cb 0.58 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 3if6 h LEU 246 CO 0.00 0.37 0.24 2.22 -1.08 0.00 0.00 178.44 180.19 3if6 n PHE 247 N -4.47 0.00 0.00 1.13 1.16 -1.26 -4.42 117.46 109.60 3if6 n PHE 247 Ca 0.09 -0.25 0.00 0.00 -1.87 0.00 0.00 57.45 55.42 3if6 n PHE 247 Cb 0.22 -0.53 0.00 0.00 -1.61 0.00 0.00 39.48 37.56 3if6 n PHE 247 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3if6 n ARG 249 N 2.63 0.00 -0.09 3.97 1.74 -1.26 -1.94 116.66 121.70 3if6 n ARG 249 Ca 0.06 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.08 3if6 n ARG 249 Cb 0.15 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 31.72 3if6 n ARG 249 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3if6 h GLU 250 N 0.00 0.77 -0.13 5.56 5.08 -1.91 -3.13 114.58 120.82 3if6 h GLU 250 Ca 0.00 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3if6 h GLU 250 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3if6 h GLU 250 CO 0.00 0.85 0.06 0.00 -1.00 0.00 0.00 179.01 178.92 3if6 h ALA 251 N 1.18 0.15 -0.08 3.43 0.00 -1.73 0.59 119.26 122.80 3if6 h ALA 251 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3if6 h ALA 251 Cb 0.59 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3if6 h ALA 251 CO 0.04 -0.38 0.00 0.82 0.00 0.00 0.00 179.25 179.73 3if6 h ILE 252 N 0.14 1.24 -0.55 0.00 2.04 -1.83 -1.81 117.51 116.74 3if6 h ILE 252 Ca 0.05 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.19 3if6 h ILE 252 Cb 0.01 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 3if6 h ILE 252 CO -0.04 0.21 0.33 0.00 0.00 0.00 0.00 178.15 178.65 3if6 h ALA 253 N 0.74 0.70 -0.86 1.87 0.00 -1.48 -1.84 119.26 118.39 3if6 h ALA 253 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3if6 h ALA 253 Cb 0.33 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3if6 h ALA 253 CO 0.00 0.04 0.52 0.00 0.00 0.00 0.00 179.25 179.81 3if6 h ARG 254 N 0.64 1.17 -0.69 0.00 3.08 -0.78 -0.70 114.38 117.09 3if6 h ARG 254 Ca 0.22 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3if6 h ARG 254 Cb 0.03 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 3if6 h ARG 254 CO -0.10 0.82 0.42 0.00 -1.07 0.00 0.00 179.97 180.03 3if6 h ALA 255 N 1.28 0.88 -0.10 0.04 0.00 -0.79 -0.23 119.26 120.35 3if6 h ALA 255 Ca 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3if6 h ALA 255 Cb -0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3if6 h ALA 255 CO -0.06 0.36 0.05 0.82 0.00 0.00 0.00 179.25 180.42 3if6 h ILE 256 N 0.94 1.09 -0.72 0.00 2.04 -1.02 -1.75 117.51 118.10 3if6 h ILE 256 Ca 0.25 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 3if6 h ILE 256 Cb -0.03 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3if6 h ILE 256 CO -0.05 0.08 0.26 -0.07 0.00 0.00 0.00 178.15 178.37 3if6 h LEU 257 N 0.06 0.99 -1.04 1.44 3.38 -0.87 -1.02 115.31 118.26 3if6 h LEU 257 Ca 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3if6 h LEU 257 Cb 0.08 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3if6 h LEU 257 CO -0.01 0.90 0.51 0.03 0.09 0.00 0.00 178.44 179.97 3if6 h ARG 258 N 1.05 1.18 0.00 1.13 3.08 -0.97 0.22 114.38 120.06 3if6 h ARG 258 Ca 0.24 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3if6 h ARG 258 Cb 0.24 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3if6 h ARG 258 CO -0.02 0.83 -0.05 0.66 -1.07 0.00 0.00 179.97 180.33 3if6 h SER 259 N 1.19 0.00 -0.35 7.04 4.64 -0.26 -1.15 113.55 124.66 3if6 h SER 259 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3if6 h SER 259 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3if6 h SER 259 CO -0.06 0.05 0.00 2.30 -0.87 0.00 0.00 176.83 178.25 3if6 n ILE 260 N -3.82 2.13 -3.23 0.95 -5.35 -0.94 -4.99 119.36 104.11 3if6 n ILE 260 Ca -0.03 -1.62 -0.20 0.00 -0.27 0.00 0.00 62.75 60.63 3if6 n ILE 260 Cb 0.14 -0.11 0.05 0.00 -1.74 0.00 0.00 39.64 37.98 3if6 n ILE 260 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3if6 n ASP 261 N -0.05 -5.74 -0.28 7.28 8.00 -0.44 -4.90 116.55 120.43 3if6 n ASP 261 Ca 0.21 -0.38 0.03 0.00 0.71 0.00 0.00 54.79 55.37 3if6 n ASP 261 Cb 0.87 -4.45 0.05 0.00 -0.02 0.00 0.00 41.12 37.57 3if6 n ASP 261 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3if6 n ALA 262 N -4.11 2.32 -2.67 2.24 0.00 0.73 -4.93 120.51 114.09 3if6 n ALA 262 Ca -0.04 -0.78 -0.19 0.00 0.00 0.00 0.00 53.44 52.43 3if6 n ALA 262 Cb 0.58 -0.21 -0.12 0.00 0.00 0.00 0.00 19.45 19.70 3if6 n ALA 262 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3if6 s LEU 263 N -0.71 2.29 0.46 0.00 1.43 -1.22 -4.91 118.68 116.02 3if6 s LEU 263 Ca 0.09 -0.64 -0.23 0.00 -1.03 0.00 0.00 54.13 52.32 3if6 s LEU 263 Cb 0.06 -0.56 -0.07 0.00 0.03 0.00 0.00 46.19 45.64 3if6 s LEU 263 CO 0.08 -0.06 1.22 -2.84 0.23 0.00 0.00 176.35 174.97 3if6 s PRO 264 N -1.82 3.72 0.35 1.29 0.02 -1.26 -4.73 135.00 132.57 3if6 s PRO 264 Ca -0.00 1.91 0.26 0.00 0.02 0.00 0.00 61.00 63.18 3if6 s PRO 264 Cb -0.10 -2.47 1.18 0.00 0.02 0.00 0.00 34.50 33.13 3if6 s PRO 264 CO 0.03 -0.62 1.23 -2.30 -0.33 0.00 0.00 177.00 175.01 3if6 n PRO 265 N -0.42 -0.03 0.00 5.54 -0.01 -1.26 -5.02 135.00 133.81 3if6 n PRO 265 Ca 0.07 0.99 0.00 0.00 -0.01 0.00 0.00 63.50 64.55 3if6 n PRO 265 Cb 0.47 -1.95 0.00 0.00 -0.01 0.00 0.00 33.50 32.01 3if6 n PRO 265 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58