#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3if8 n PRO -3 N 0.00 0.28 -2.09 1.61 -0.04 -1.26 -4.84 135.00 128.67 3if8 n PRO -3 Ca 0.00 0.09 -0.41 0.00 -0.04 0.00 0.00 63.50 63.14 3if8 n PRO -3 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3if8 n PRO -3 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3if8 s LEU -2 N -2.58 4.39 0.00 1.53 0.20 -1.26 -2.04 118.68 118.92 3if8 s LEU -2 Ca 0.19 2.53 0.00 0.00 0.69 0.00 0.00 54.13 57.55 3if8 s LEU -2 Cb 0.14 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.29 3if8 s LEU -2 CO 0.32 -0.65 0.00 0.61 -0.29 0.00 0.00 176.35 176.34 3if8 n GLY -1 N 2.55 2.30 3.70 7.98 0.00 -1.26 -4.99 105.19 115.48 3if8 n GLY -1 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 3if8 n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3if8 s SER 0 N -3.57 4.35 0.58 1.61 1.04 -0.96 -5.02 113.70 111.74 3if8 s SER 0 Ca 0.00 -1.03 0.30 0.00 0.48 0.00 0.00 55.95 55.70 3if8 s SER 0 Cb 0.00 -0.52 1.38 0.00 0.10 0.00 0.00 66.02 66.98 3if8 s SER 0 CO 0.00 -0.42 1.75 -0.03 0.98 0.00 0.00 173.24 175.52 3if8 h MET 1 N 1.57 0.00 -0.06 4.02 1.85 -1.96 -1.13 114.93 119.22 3if8 h MET 1 Ca -0.43 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.66 3if8 h MET 1 Cb 1.25 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.28 3if8 h MET 1 CO 0.69 0.00 0.00 0.91 -0.40 0.00 0.00 176.91 178.11 3if8 n TRP 2 N -3.70 0.07 0.10 1.39 8.01 -1.26 -4.38 117.44 117.67 3if8 n TRP 2 Ca 0.15 -0.04 -0.13 0.00 -1.31 0.00 0.00 57.50 56.18 3if8 n TRP 2 Cb 0.98 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 30.22 3if8 n TRP 2 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.69 178.17 3if8 h GLU 3 N 2.09 -0.54 -0.08 -0.99 4.81 -0.59 0.97 114.58 120.24 3if8 h GLU 3 Ca 0.00 0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 3if8 h GLU 3 Cb 0.45 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3if8 h GLU 3 CO 0.00 -0.36 -0.31 0.00 -0.73 0.00 0.00 179.01 177.61 3if8 h ARG 4 N -0.56 0.36 -0.35 1.92 2.47 -1.82 -0.65 114.38 115.75 3if8 h ARG 4 Ca 0.03 -0.27 0.07 0.00 -1.26 0.00 0.00 59.98 58.55 3if8 h ARG 4 Cb 0.60 0.05 -0.09 0.00 -1.65 0.00 0.00 29.97 28.89 3if8 h ARG 4 CO -0.22 0.90 -0.34 1.25 0.56 0.00 0.00 179.97 182.12 3if8 h LEU 5 N -0.12 -1.12 -2.31 3.04 5.85 -1.72 -1.03 115.31 117.90 3if8 h LEU 5 Ca -0.02 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3if8 h LEU 5 Cb 0.95 0.51 0.00 0.00 0.37 0.00 0.00 40.66 42.49 3if8 h LEU 5 CO 0.07 -0.34 0.00 0.59 -0.34 0.00 0.00 178.44 178.42 3if8 n ASN 6 N -5.42 3.49 -2.52 1.25 3.02 0.33 -4.97 115.26 110.44 3if8 n ASN 6 Ca 0.00 -2.39 -0.13 0.00 -0.03 0.00 0.00 54.58 52.03 3if8 n ASN 6 Cb 0.34 -0.52 0.05 0.00 -0.61 0.00 0.00 39.78 39.05 3if8 n ASN 6 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3if8 h ALA 8 N 0.62 -0.21 -0.01 0.00 0.00 -1.39 -0.90 119.26 117.37 3if8 h ALA 8 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3if8 h ALA 8 Cb 1.23 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 3if8 h ALA 8 CO 0.34 -0.66 -0.02 0.00 0.00 0.00 0.00 179.25 178.91 3if8 h ALA 9 N 0.64 -0.01 -0.82 0.00 0.00 -1.87 -1.79 119.26 115.41 3if8 h ALA 9 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3if8 h ALA 9 Cb 0.33 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3if8 h ALA 9 CO -0.14 -0.51 0.52 0.93 0.00 0.00 0.00 179.25 180.05 3if8 h GLU 10 N -0.03 1.09 0.00 0.00 5.08 -1.85 0.17 114.58 119.04 3if8 h GLU 10 Ca 0.01 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3if8 h GLU 10 Cb 0.04 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3if8 h GLU 10 CO -0.02 0.74 -0.37 -0.44 -1.00 0.00 0.00 179.01 177.92 3if8 h ASP 11 N 1.12 0.00 0.21 1.42 5.19 -0.96 -0.21 116.42 123.19 3if8 h ASP 11 Ca 0.30 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.70 3if8 h ASP 11 Cb -0.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.42 3if8 h ASP 11 CO -0.06 0.37 -0.10 0.15 -3.12 0.00 0.00 179.24 176.48 3if8 h PHE 12 N 0.00 -0.26 -0.91 4.55 3.57 -0.32 -2.41 116.94 121.16 3if8 h PHE 12 Ca -0.00 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.68 3if8 h PHE 12 Cb 0.79 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.54 3if8 h PHE 12 CO 0.00 0.12 0.59 -0.92 -2.23 0.00 0.00 178.31 175.87 3if8 h TYR 13 N -0.90 0.67 0.06 0.41 3.20 -0.64 -0.30 116.97 119.46 3if8 h TYR 13 Ca -0.03 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3if8 h TYR 13 Cb 0.50 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.57 3if8 h TYR 13 CO 0.07 0.19 -0.03 1.03 -1.64 0.00 0.00 178.16 177.77 3if8 h SER 14 N 0.51 -0.07 -0.55 -2.11 0.87 -1.08 -1.47 113.55 109.66 3if8 h SER 14 Ca 0.48 -0.47 0.11 0.00 -1.23 0.00 0.00 61.79 60.68 3if8 h SER 14 Cb 1.04 0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 62.92 3if8 h SER 14 CO -0.21 0.46 -0.12 0.03 -0.53 0.00 0.00 176.83 176.46 3if8 h ARG 15 N -0.62 0.01 -0.30 2.24 2.47 -0.88 -0.60 114.38 116.70 3if8 h ARG 15 Ca -0.01 -0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.62 3if8 h ARG 15 Cb 0.53 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.84 3if8 h ARG 15 CO 0.01 0.01 -0.19 -0.07 0.56 0.00 0.00 179.97 180.29 3if8 h LEU 16 N 0.01 0.55 -1.45 3.04 3.38 -1.07 -2.31 115.31 117.45 3if8 h LEU 16 Ca 0.27 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3if8 h LEU 16 Cb 0.41 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3if8 h LEU 16 CO -0.56 0.75 -0.28 0.25 0.09 0.00 0.00 178.44 178.70 3if8 h LEU 17 N 0.49 0.00 0.33 1.67 5.85 -0.21 -2.47 115.31 120.99 3if8 h LEU 17 Ca 0.08 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3if8 h LEU 17 Cb 0.61 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3if8 h LEU 17 CO 0.04 0.28 -0.32 1.56 -0.34 0.00 0.00 178.44 179.66 3if8 h GLN 18 N 0.00 -0.65 0.17 1.25 1.08 -0.56 -2.15 115.11 114.25 3if8 h GLN 18 Ca -0.00 0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 3if8 h GLN 18 Cb 0.55 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 3if8 h GLN 18 CO 0.04 -0.43 -0.08 0.87 -0.95 0.00 0.00 178.83 178.27 3if8 h LYS 19 N -0.68 -0.22 -0.67 1.46 6.56 -1.40 1.55 116.57 123.18 3if8 h LYS 19 Ca -0.02 0.01 0.14 0.00 -1.06 0.00 0.00 60.65 59.73 3if8 h LYS 19 Cb 0.61 0.05 -0.10 0.00 -0.57 0.00 0.00 32.23 32.21 3if8 h LYS 19 CO -0.05 -0.09 0.10 0.35 -2.06 0.00 0.00 179.45 177.70 3if8 h PHE 20 N -0.30 0.14 -0.20 -1.35 3.57 -1.55 1.73 116.94 118.99 3if8 h PHE 20 Ca -0.02 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 3if8 h PHE 20 Cb 0.23 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3if8 h PHE 20 CO -0.04 -0.11 -0.45 -0.91 -2.23 0.00 0.00 178.31 174.57 3if8 h ASN 21 N 0.21 0.53 0.41 0.41 2.35 -0.87 -2.69 115.58 115.94 3if8 h ASN 21 Ca 0.37 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3if8 h ASN 21 Cb 0.60 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3if8 h ASN 21 CO -0.50 0.90 -0.20 -0.08 -1.65 0.00 0.00 177.43 175.90 3if8 h GLU 22 N 0.40 -0.54 0.00 0.81 4.81 0.38 -3.34 114.58 117.10 3if8 h GLU 22 Ca 0.03 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3if8 h GLU 22 Cb 0.94 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 3if8 h GLU 22 CO 0.08 -0.36 -0.02 0.93 -0.73 0.00 0.00 179.01 178.92 3if8 h GLU 23 N -0.86 0.00 0.00 1.92 5.08 0.26 0.16 114.58 121.15 3if8 h GLU 23 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3if8 h GLU 23 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3if8 h GLU 23 CO 0.09 0.02 0.00 1.63 -1.00 0.00 0.00 179.01 179.75 3if8 n LYS 24 N -3.22 0.00 0.00 2.33 4.01 -1.01 -4.36 118.16 115.90 3if8 n LYS 24 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 3if8 n LYS 24 Cb 0.15 -0.98 0.00 0.00 -0.51 0.00 0.00 35.03 33.69 3if8 n LYS 24 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3if8 n LYS 25 N -0.01 0.00 -2.24 1.97 4.01 0.47 -5.09 118.16 117.27 3if8 n LYS 25 Ca 0.00 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.39 3if8 n LYS 25 Cb 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.49 3if8 n LYS 25 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3if8 s GLY 26 N 0.00 3.02 -0.83 0.72 0.00 -0.59 -4.98 107.32 104.66 3if8 s GLY 26 Ca 0.00 1.14 0.02 0.00 0.00 0.00 0.00 44.72 45.87 3if8 s GLY 26 CO 0.00 1.77 1.12 1.39 0.00 0.00 0.00 173.10 177.38 3if8 n ILE 27 N 0.94 3.83 -1.46 0.90 5.41 -1.26 -3.02 119.36 124.70 3if8 n ILE 27 Ca -0.00 -5.59 -0.13 0.00 1.00 0.00 0.00 62.75 58.03 3if8 n ILE 27 Cb 0.43 -2.00 -0.10 0.00 -0.71 0.00 0.00 39.64 37.25 3if8 n ILE 27 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 3if8 n ARG 28 N 0.88 0.21 0.00 0.38 -4.01 -1.26 -4.71 116.66 108.15 3if8 n ARG 28 Ca 0.30 -0.82 0.00 0.00 -1.04 0.00 0.00 57.85 56.28 3if8 n ARG 28 Cb 0.37 -2.82 0.00 0.00 -3.04 0.00 0.00 32.46 26.97 3if8 n ARG 28 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 3if8 n LYS 29 N 7.24 0.00 -3.66 2.89 5.02 -1.26 -4.47 118.16 123.92 3if8 n LYS 29 Ca 0.41 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.49 3if8 n LYS 29 Cb 0.40 -1.37 -0.18 0.00 -0.02 0.00 0.00 35.03 33.86 3if8 n LYS 29 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3if8 s ASP 30 N 2.13 1.28 -0.21 4.39 -4.77 -1.26 -5.11 116.67 113.12 3if8 s ASP 30 Ca 0.00 -0.00 -0.29 0.00 -3.30 0.00 0.00 52.55 48.96 3if8 s ASP 30 Cb 0.00 -0.14 -0.01 0.00 -1.09 0.00 0.00 42.92 41.68 3if8 s ASP 30 CO 0.00 -0.26 1.33 -2.84 0.70 0.00 0.00 175.17 174.10 3if8 s PRO 31 N 2.17 4.09 0.23 2.11 0.02 -1.26 -4.96 135.00 137.40 3if8 s PRO 31 Ca 0.05 1.57 -0.30 0.00 0.02 0.00 0.00 61.00 62.33 3if8 s PRO 31 Cb -0.13 -3.84 -0.09 0.00 0.02 0.00 0.00 34.50 30.46 3if8 s PRO 31 CO -0.04 -0.90 1.37 -0.59 -0.33 0.00 0.00 177.00 176.51 3if8 s PHE 32 N 3.97 3.13 -0.56 6.54 -0.71 -1.15 -4.52 117.98 124.69 3if8 s PHE 32 Ca 0.58 1.15 -0.28 0.00 -1.04 0.00 0.00 56.93 57.34 3if8 s PHE 32 Cb -0.21 -3.71 0.01 0.00 -1.21 0.00 0.00 43.02 37.91 3if8 s PHE 32 CO 0.20 -2.23 1.40 -0.51 -1.34 0.00 0.00 175.22 172.74 3if8 s LEU 33 N -0.39 3.41 0.05 -1.99 1.02 -1.26 -1.83 118.68 117.69 3if8 s LEU 33 Ca 0.57 0.28 -0.16 0.00 0.02 0.00 0.00 54.13 54.84 3if8 s LEU 33 Cb -0.39 -3.07 -0.19 0.00 0.02 0.00 0.00 46.19 42.55 3if8 s LEU 33 CO 0.42 -1.68 1.21 0.22 0.02 0.00 0.00 176.35 176.53 3if8 h TYR 34 N 10.93 0.82 -0.96 0.29 3.20 -0.95 -3.40 116.97 126.90 3if8 h TYR 34 Ca -0.27 -0.39 -0.35 0.00 3.14 0.00 0.00 58.73 60.86 3if8 h TYR 34 Cb 1.09 -0.12 -0.35 0.00 1.54 0.00 0.00 36.73 38.89 3if8 h TYR 34 CO 1.03 1.20 -1.04 -1.91 -1.64 0.00 0.00 178.16 175.81 3if8 n GLU 35 N -4.10 1.12 0.00 1.82 2.13 -0.91 -4.98 120.64 115.72 3if8 n GLU 35 Ca -0.09 -3.00 0.00 0.00 0.66 0.00 0.00 57.16 54.74 3if8 n GLU 35 Cb 0.69 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 31.28 3if8 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3if8 n ALA 36 N -0.07 0.00 1.06 4.31 0.00 -1.26 -2.86 120.51 121.69 3if8 n ALA 36 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.65 3if8 n ALA 36 Cb 0.79 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.34 3if8 n ALA 36 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3if8 n ASP 37 N 0.00 1.87 -3.88 0.00 4.64 -1.26 -4.81 116.55 113.11 3if8 n ASP 37 Ca 0.00 -1.41 -0.25 0.00 -1.38 0.00 0.00 54.79 51.74 3if8 n ASP 37 Cb 0.00 0.37 -0.17 0.00 -1.04 0.00 0.00 41.12 40.27 3if8 n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3if8 s VAL 38 N -2.44 0.85 0.24 5.18 1.01 -1.14 -1.80 120.40 122.31 3if8 s VAL 38 Ca 0.21 -0.19 0.12 0.00 0.00 0.00 0.00 61.98 62.12 3if8 s VAL 38 Cb 0.19 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 3if8 s VAL 38 CO 0.54 0.34 -0.21 0.00 0.00 0.00 0.00 175.10 175.76 3if8 s GLN 39 N 1.69 1.64 -0.14 2.72 -2.07 -0.67 -0.22 119.66 122.60 3if8 s GLN 39 Ca 0.03 -1.66 -0.04 0.00 -1.82 0.00 0.00 55.36 51.87 3if8 s GLN 39 Cb -0.13 -1.81 0.05 0.00 -1.09 0.00 0.00 33.01 30.03 3if8 s GLN 39 CO -0.07 0.36 0.08 0.08 -1.32 0.00 0.00 175.29 174.43 3if8 s VAL 40 N -2.17 -0.08 0.04 3.63 1.01 -0.76 -1.99 120.40 120.09 3if8 s VAL 40 Ca 0.26 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.22 3if8 s VAL 40 Cb -0.06 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 3if8 s VAL 40 CO 0.13 -0.17 0.13 -1.58 0.00 0.00 0.00 175.10 173.60 3if8 s GLN 41 N 2.14 3.14 0.02 2.72 2.00 -0.16 -2.92 119.66 126.60 3if8 s GLN 41 Ca 0.03 -0.53 -0.01 0.00 -2.00 0.00 0.00 55.36 52.84 3if8 s GLN 41 Cb -0.15 -2.89 -0.04 0.00 0.80 0.00 0.00 33.01 30.73 3if8 s GLN 41 CO -0.08 0.61 0.18 -1.17 -0.50 0.00 0.00 175.29 174.34 3if8 s LEU 42 N -2.20 4.32 -0.27 3.68 2.96 -1.26 -0.64 118.68 125.26 3if8 s LEU 42 Ca 0.29 0.30 0.03 0.00 -0.22 0.00 0.00 54.13 54.53 3if8 s LEU 42 Cb -0.12 -2.72 0.07 0.00 0.50 0.00 0.00 46.19 43.91 3if8 s LEU 42 CO 0.21 0.23 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.75 3if8 s ILE 43 N -1.39 2.16 0.00 6.68 1.01 0.96 -4.96 121.20 125.66 3if8 s ILE 43 Ca 0.30 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 59.23 3if8 s ILE 43 Cb -0.13 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.03 3if8 s ILE 43 CO 0.22 -0.11 0.00 -1.54 0.00 0.00 0.00 174.94 173.51 3if8 n SER 44 N 4.42 0.93 0.00 3.58 3.41 -1.26 -2.40 113.62 122.29 3if8 n SER 44 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 3if8 n SER 44 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3if8 n SER 44 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3if8 n LYS 45 N 0.00 0.00 -1.77 4.33 4.01 -1.26 -3.07 118.16 120.40 3if8 n LYS 45 Ca 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.79 3if8 n LYS 45 Cb 0.00 0.00 0.07 0.00 -0.51 0.00 0.00 35.03 34.59 3if8 n LYS 45 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3if8 n GLY 46 N 0.00 2.92 3.84 0.72 0.00 -1.26 -5.05 105.19 106.36 3if8 n GLY 46 Ca 0.00 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 3if8 n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3if8 s GLN 47 N -2.29 3.46 0.01 1.61 -2.07 -1.17 -4.95 119.66 114.26 3if8 s GLN 47 Ca 0.36 0.89 -0.33 0.00 -1.82 0.00 0.00 55.36 54.46 3if8 s GLN 47 Cb 0.37 -2.06 -0.11 0.00 -1.09 0.00 0.00 33.01 30.12 3if8 s GLN 47 CO -0.08 -0.68 1.86 -2.30 -1.32 0.00 0.00 175.29 172.77 3if8 n PRO 48 N -2.56 2.47 -3.56 9.60 -0.02 -1.26 -4.94 135.00 134.74 3if8 n PRO 48 Ca 0.07 0.90 -0.40 0.00 -2.02 0.00 0.00 63.50 62.05 3if8 n PRO 48 Cb 0.54 -2.78 -0.11 0.00 -0.02 0.00 0.00 33.50 31.13 3if8 n PRO 48 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3if8 s ASN 49 N 3.53 5.92 0.64 2.55 3.84 -1.26 -4.99 114.94 125.18 3if8 s ASN 49 Ca 0.88 -0.55 0.35 0.00 0.21 0.00 0.00 52.86 53.75 3if8 s ASN 49 Cb -0.59 -2.10 1.93 0.00 -0.55 0.00 0.00 41.25 39.94 3if8 s ASN 49 CO 0.45 -0.26 2.15 -0.65 -2.79 0.00 0.00 177.10 176.00 3if8 h PRO 50 N 8.47 0.00 0.00 0.43 0.11 -2.01 -1.50 132.00 137.51 3if8 h PRO 50 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3if8 h PRO 50 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3if8 h PRO 50 CO 0.64 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.71 3if8 n LEU 51 N -3.30 0.75 0.26 2.35 4.77 -1.26 -3.39 117.00 117.18 3if8 n LEU 51 Ca -0.01 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.66 3if8 n LEU 51 Cb 0.24 -0.35 0.71 0.00 -2.33 0.00 0.00 43.42 41.70 3if8 n LEU 51 CO 0.21 -0.19 0.99 0.11 -1.33 0.00 0.00 177.39 177.18 3if8 h LYS 52 N 0.00 0.00 -0.15 3.23 1.79 -1.47 0.61 116.57 120.58 3if8 h LYS 52 Ca 0.00 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 3if8 h LYS 52 Cb 0.70 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 3if8 h LYS 52 CO 0.00 0.10 0.11 -0.91 -1.08 0.00 0.00 179.45 177.67 3if8 h ASN 53 N 0.00 0.07 0.00 0.86 2.35 -1.75 -3.29 115.58 113.82 3if8 h ASN 53 Ca -0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3if8 h ASN 53 Cb 0.24 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3if8 h ASN 53 CO 0.01 0.05 0.00 2.30 -1.65 0.00 0.00 177.43 178.14 3if8 n ILE 54 N -4.50 0.00 -4.08 2.81 -5.35 -0.81 -5.07 119.36 102.34 3if8 n ILE 54 Ca 0.00 -0.38 -0.14 0.00 -0.27 0.00 0.00 62.75 61.97 3if8 n ILE 54 Cb 0.18 1.05 -0.12 0.00 -1.74 0.00 0.00 39.64 39.01 3if8 n ILE 54 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3if8 s LEU 55 N -1.21 2.21 0.47 7.28 1.43 0.14 -5.04 118.68 123.96 3if8 s LEU 55 Ca 0.00 -0.46 0.27 0.00 -1.03 0.00 0.00 54.13 52.91 3if8 s LEU 55 Cb 0.00 -0.19 1.02 0.00 0.03 0.00 0.00 46.19 47.05 3if8 s LEU 55 CO 0.00 -0.15 1.86 0.78 0.23 0.00 0.00 176.35 179.07 3if8 h ASN 56 N 4.79 0.00 -3.42 2.29 2.35 -1.86 -3.39 115.58 116.34 3if8 h ASN 56 Ca -0.34 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 54.86 3if8 h ASN 56 Cb 1.20 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.53 3if8 h ASN 56 CO 0.42 0.14 0.11 -1.61 -1.65 0.00 0.00 177.43 174.85 3if8 s GLU 57 N -3.62 4.45 -0.70 0.81 8.01 -1.26 -5.00 118.70 121.38 3if8 s GLU 57 Ca 0.01 1.01 0.05 0.00 0.01 0.00 0.00 54.97 56.05 3if8 s GLU 57 Cb 0.09 -3.29 0.21 0.00 -4.31 0.00 0.00 34.13 26.83 3if8 s GLU 57 CO 0.61 0.50 0.63 -1.71 0.01 0.00 0.00 175.26 175.31 3if8 n ASN 58 N 2.00 3.47 -4.98 -0.19 4.05 -1.26 -4.70 115.26 113.65 3if8 n ASN 58 Ca -0.06 -3.31 -0.20 0.00 0.45 0.00 0.00 54.58 51.46 3if8 n ASN 58 Cb 0.50 -0.75 0.01 0.00 1.23 0.00 0.00 39.78 40.76 3if8 n ASN 58 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 3if8 s ASP 59 N -1.81 5.83 0.26 1.20 1.01 -1.26 -5.08 116.67 116.82 3if8 s ASP 59 Ca 0.31 -0.02 -0.29 0.00 0.71 0.00 0.00 52.55 53.26 3if8 s ASP 59 Cb 0.03 -1.26 -0.09 0.00 1.01 0.00 0.00 42.92 42.61 3if8 s ASP 59 CO -0.10 -0.62 1.24 -0.63 0.21 0.00 0.00 175.17 175.27 3if8 s ILE 60 N -2.38 3.14 -0.24 0.77 -1.09 -1.26 -4.91 121.20 115.23 3if8 s ILE 60 Ca 0.48 1.06 -0.25 0.00 -2.23 0.00 0.00 60.65 59.71 3if8 s ILE 60 Cb -0.10 -3.68 0.07 0.00 -1.58 0.00 0.00 42.46 37.17 3if8 s ILE 60 CO 0.34 0.22 0.70 -0.69 -1.23 0.00 0.00 174.94 174.28 3if8 s VAL 61 N -0.66 0.00 0.19 2.92 1.01 -1.01 -4.20 120.40 118.66 3if8 s VAL 61 Ca 0.50 -0.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.31 3if8 s VAL 61 Cb -0.36 -0.97 -0.08 0.00 0.00 0.00 0.00 36.38 34.97 3if8 s VAL 61 CO 0.44 -0.00 0.66 -0.36 0.00 0.00 0.00 175.10 175.83 3if8 s PHE 62 N 0.22 3.63 -0.08 5.22 0.08 -0.43 -0.02 117.98 126.59 3if8 s PHE 62 Ca -0.01 1.26 0.04 0.00 0.12 0.00 0.00 56.93 58.34 3if8 s PHE 62 Cb -0.04 -2.52 0.00 0.00 -0.57 0.00 0.00 43.02 39.89 3if8 s PHE 62 CO 0.02 0.37 -0.20 0.42 -0.10 0.00 0.00 175.22 175.73 3if8 s ILE 63 N -1.50 1.75 -0.09 0.64 -1.09 0.18 -1.91 121.20 119.18 3if8 s ILE 63 Ca 0.41 -0.85 0.04 0.00 -2.23 0.00 0.00 60.65 58.02 3if8 s ILE 63 Cb -0.16 -1.52 -0.01 0.00 -1.58 0.00 0.00 42.46 39.19 3if8 s ILE 63 CO 0.20 0.49 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.50 3if8 s VAL 64 N 0.37 2.39 0.18 2.92 1.01 -0.18 -0.99 120.40 126.10 3if8 s VAL 64 Ca -0.15 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 60.76 3if8 s VAL 64 Cb -0.17 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.30 3if8 s VAL 64 CO 0.07 0.56 0.42 -1.83 0.00 0.00 0.00 175.10 174.31 3if8 s GLU 65 N 0.03 1.27 0.26 2.72 -1.05 -0.84 -2.07 118.70 119.02 3if8 s GLU 65 Ca -0.08 -0.98 -0.29 0.00 -0.15 0.00 0.00 54.97 53.46 3if8 s GLU 65 Cb -0.15 0.46 -0.10 0.00 -0.44 0.00 0.00 34.13 33.90 3if8 s GLU 65 CO 0.05 -0.51 1.30 0.21 0.95 0.00 0.00 175.26 177.26 3if8 s LYS 66 N -3.91 4.39 0.16 -4.83 2.20 -0.64 -1.68 119.74 115.44 3if8 s LYS 66 Ca 0.12 2.11 -0.32 0.00 -0.36 0.00 0.00 55.97 57.53 3if8 s LYS 66 Cb 0.01 -3.14 -0.10 0.00 -1.51 0.00 0.00 37.83 33.09 3if8 s LYS 66 CO -0.02 -0.19 1.54 0.08 -0.36 0.00 0.00 175.35 176.40 3if8 s VAL 67 N -0.52 2.71 1.08 4.02 1.01 -0.74 -4.19 120.40 123.76 3if8 s VAL 67 Ca 0.53 0.51 -0.22 0.00 0.00 0.00 0.00 61.98 62.79 3if8 s VAL 67 Cb -0.38 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 3if8 s VAL 67 CO 0.45 0.04 -0.61 -2.65 0.00 0.00 0.00 175.10 172.33 3if8 n PRO 68 N 3.97 -1.01 0.00 2.72 -0.02 -1.26 -5.00 135.00 134.40 3if8 n PRO 68 Ca 0.14 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3if8 n PRO 68 Cb 0.39 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 3if8 n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3if8 n GLY 97 N 2.60 0.00 3.65 -1.23 0.00 -1.26 -5.16 105.19 103.80 3if8 n GLY 97 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3if8 n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3if8 n PRO 98 N 0.00 1.20 -4.17 1.61 -0.04 -1.26 -5.03 135.00 127.31 3if8 n PRO 98 Ca 0.00 0.45 -0.32 0.00 -0.04 0.00 0.00 63.50 63.59 3if8 n PRO 98 Cb 0.00 -2.28 -0.08 0.00 -0.04 0.00 0.00 33.50 31.11 3if8 n PRO 98 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3if8 s LEU 99 N -2.26 3.64 -0.14 1.53 1.43 -1.26 -5.06 118.68 116.55 3if8 s LEU 99 Ca 0.73 -0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.76 3if8 s LEU 99 Cb -0.44 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 3if8 s LEU 99 CO 0.49 0.24 0.09 0.00 0.23 0.00 0.00 176.35 177.39 3if8 s ALA 100 N -1.21 3.60 0.64 4.21 0.00 -1.26 -1.62 121.76 126.11 3if8 s ALA 100 Ca 0.23 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.35 3if8 s ALA 100 Cb -0.12 -1.86 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 3if8 s ALA 100 CO 0.15 0.45 1.05 -0.51 0.00 0.00 0.00 175.76 176.90 3if8 s LEU 101 N -0.49 3.32 0.56 0.00 1.43 -0.14 -4.63 118.68 118.74 3if8 s LEU 101 Ca 0.11 1.68 -0.21 0.00 -1.03 0.00 0.00 54.13 54.68 3if8 s LEU 101 Cb -0.12 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.55 3if8 s LEU 101 CO 0.02 -1.23 1.30 -2.84 0.23 0.00 0.00 176.35 173.83 3if8 s PRO 102 N -4.58 3.07 0.25 1.29 0.02 -1.26 -1.84 135.00 131.95 3if8 s PRO 102 Ca 0.60 2.09 -0.03 0.00 0.02 0.00 0.00 61.00 63.68 3if8 s PRO 102 Cb -0.14 -2.14 0.42 0.00 0.02 0.00 0.00 34.50 32.66 3if8 s PRO 102 CO 0.46 -1.21 1.82 0.28 -0.33 0.00 0.00 177.00 178.02 3if8 h VAL 103 N 1.23 0.93 -0.64 3.83 2.07 -1.92 -1.89 116.25 119.87 3if8 h VAL 103 Ca -0.51 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 66.73 3if8 h VAL 103 Cb 1.30 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3if8 h VAL 103 CO 0.56 0.16 0.41 1.23 0.02 0.00 0.00 177.57 179.95 3if8 h GLY 104 N 0.87 0.90 0.87 2.17 0.00 -1.94 -0.25 103.07 105.69 3if8 h GLY 104 Ca 0.42 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 3if8 h GLY 104 CO -0.24 0.29 0.04 1.70 0.00 0.00 0.00 176.54 178.33 3if8 h LYS 105 N 0.82 0.43 -0.95 4.80 3.11 -1.75 -2.35 116.57 120.69 3if8 h LYS 105 Ca 0.24 -0.12 0.10 0.00 -2.81 0.00 0.00 60.65 58.07 3if8 h LYS 105 Cb -0.04 -0.05 -0.07 0.00 -1.00 0.00 0.00 32.23 31.06 3if8 h LYS 105 CO -0.07 0.55 0.61 0.00 -2.81 0.00 0.00 179.45 177.73 3if8 h ALA 106 N 0.86 1.56 -0.37 5.00 0.00 -1.00 -1.98 119.26 123.34 3if8 h ALA 106 Ca 0.08 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3if8 h ALA 106 Cb 0.33 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3if8 h ALA 106 CO 0.01 0.24 -0.26 -0.09 0.00 0.00 0.00 179.25 179.15 3if8 h ARG 107 N 0.98 0.75 -0.01 0.00 2.43 -0.63 0.63 114.38 118.53 3if8 h ARG 107 Ca 0.44 -0.32 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3if8 h ARG 107 Cb 0.39 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 3if8 h ARG 107 CO -0.20 0.93 -0.13 1.96 -1.51 0.00 0.00 179.97 181.02 3if8 h GLN 108 N 0.65 -0.20 -0.76 0.20 4.20 -0.97 0.15 115.11 118.38 3if8 h GLN 108 Ca 0.08 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3if8 h GLN 108 Cb 0.78 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.57 3if8 h GLN 108 CO 0.06 -0.13 0.49 -0.07 -0.67 0.00 0.00 178.83 178.51 3if8 h LEU 109 N -0.21 0.89 -1.41 1.46 3.38 -0.97 0.90 115.31 119.34 3if8 h LEU 109 Ca 0.05 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3if8 h LEU 109 Cb 0.27 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3if8 h LEU 109 CO -0.14 0.66 0.40 0.40 0.09 0.00 0.00 178.44 179.86 3if8 h ILE 110 N 1.03 1.14 0.17 1.22 1.08 -0.68 -2.45 117.51 119.03 3if8 h ILE 110 Ca 0.28 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 3if8 h ILE 110 Cb -0.09 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 33.93 3if8 h ILE 110 CO -0.06 0.15 -0.08 1.23 -0.69 0.00 0.00 178.15 178.70 3if8 h GLY 111 N 0.81 -0.24 0.47 5.37 0.00 0.13 -2.13 103.07 107.47 3if8 h GLY 111 Ca 0.23 0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.74 3if8 h GLY 111 CO -0.05 -0.09 0.37 1.41 0.00 0.00 0.00 176.54 178.18 3if8 h LEU 112 N -0.24 0.49 -0.39 3.11 4.07 -0.60 -0.52 115.31 121.23 3if8 h LEU 112 Ca -0.02 0.06 -0.12 0.00 0.08 0.00 0.00 57.88 57.88 3if8 h LEU 112 Cb 0.18 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 3if8 h LEU 112 CO 0.04 0.28 -0.22 0.22 -1.08 0.00 0.00 178.44 177.67 3if8 h TYR 113 N 0.63 0.97 0.75 1.13 3.20 -1.38 0.68 116.97 122.95 3if8 h TYR 113 Ca 0.36 -0.25 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 3if8 h TYR 113 Cb 0.38 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.43 3if8 h TYR 113 CO -0.10 1.02 -0.41 1.15 -1.64 0.00 0.00 178.16 178.18 3if8 h THR 114 N 0.64 0.16 -0.92 1.81 2.02 -0.98 -3.11 112.91 112.54 3if8 h THR 114 Ca 0.08 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.33 3if8 h THR 114 Cb 0.79 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 3if8 h THR 114 CO 0.06 0.00 0.60 0.24 0.37 0.00 0.00 175.52 176.79 3if8 h MET 115 N -1.08 1.01 0.00 6.66 2.86 -0.93 -1.81 114.93 121.63 3if8 h MET 115 Ca -0.10 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 3if8 h MET 115 Cb 0.85 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 3if8 h MET 115 CO 0.13 0.67 -0.07 0.00 1.06 0.00 0.00 176.91 178.70 3if8 h ALA 116 N 1.51 1.26 0.00 6.32 0.00 -0.81 -2.08 119.26 125.45 3if8 h ALA 116 Ca 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3if8 h ALA 116 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3if8 h ALA 116 CO -0.15 0.09 -1.21 0.72 0.00 0.00 0.00 179.25 178.69 3if8 n HIS 117 N -3.55 0.00 -2.10 0.00 8.25 -0.76 -4.96 115.22 112.10 3if8 n HIS 117 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 3if8 n HIS 117 Cb 0.19 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 3if8 n HIS 117 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3if8 s ASN 118 N -3.28 6.75 0.28 0.41 3.84 -0.76 -4.93 114.94 117.25 3if8 s ASN 118 Ca 0.03 2.27 0.07 0.00 0.21 0.00 0.00 52.86 55.44 3if8 s ASN 118 Cb 0.14 -2.56 0.41 0.00 -0.55 0.00 0.00 41.25 38.70 3if8 s ASN 118 CO 0.82 -0.79 1.66 1.55 -2.79 0.00 0.00 177.10 177.55 3if8 h PRO 119 N 8.05 0.16 0.00 0.43 0.13 -1.93 -2.62 132.00 136.22 3if8 h PRO 119 Ca -0.40 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3if8 h PRO 119 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3if8 h PRO 119 CO 0.91 0.63 0.00 0.09 -0.23 0.00 0.00 178.00 179.40 3if8 n ASN 120 N -3.95 0.00 -4.71 1.44 3.02 -1.26 -4.75 115.26 105.05 3if8 n ASN 120 Ca -0.02 0.23 -0.38 0.00 -0.03 0.00 0.00 54.58 54.39 3if8 n ASN 120 Cb 0.53 -0.34 -0.07 0.00 -0.61 0.00 0.00 39.78 39.30 3if8 n ASN 120 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3if8 s MET 121 N -2.68 4.28 0.25 3.52 1.75 -0.99 -5.03 119.30 120.39 3if8 s MET 121 Ca 0.09 0.31 -0.31 0.00 -1.25 0.00 0.00 55.69 54.52 3if8 s MET 121 Cb 0.07 -3.46 -0.12 0.00 2.84 0.00 0.00 34.83 34.16 3if8 s MET 121 CO 0.17 0.12 1.63 2.41 -0.65 0.00 0.00 175.02 178.70 3if8 n THR 122 N 3.85 0.58 -4.58 10.11 -1.04 -1.26 -5.00 114.28 116.93 3if8 n THR 122 Ca -0.08 -0.14 -0.33 0.00 -2.04 0.00 0.00 64.05 61.45 3if8 n THR 122 Cb 0.51 -1.92 -0.12 0.00 -1.82 0.00 0.00 70.33 66.98 3if8 n THR 122 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3if8 s HIS 123 N 0.49 2.93 -0.06 -1.42 3.76 -1.26 -5.02 115.29 114.71 3if8 s HIS 123 Ca 0.69 -0.29 0.14 0.00 -0.15 0.00 0.00 55.06 55.45 3if8 s HIS 123 Cb -0.52 -1.85 -0.21 0.00 1.11 0.00 0.00 32.58 31.11 3if8 s HIS 123 CO 0.42 0.03 0.24 1.28 -0.85 0.00 0.00 174.74 175.85 3if8 n LEU 124 N 3.12 0.00 -0.04 0.89 4.77 -1.26 -4.81 117.00 119.68 3if8 n LEU 124 Ca -0.18 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.72 3if8 n LEU 124 Cb 0.53 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 3if8 n LEU 124 CO 0.30 0.11 -0.71 0.29 -1.33 0.00 0.00 177.39 176.05 3if8 n LYS 125 N -2.18 0.18 -2.27 3.23 5.02 -1.26 -5.00 118.16 115.88 3if8 n LYS 125 Ca -0.09 0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 3if8 n LYS 125 Cb 0.58 -0.81 -0.03 0.00 -0.02 0.00 0.00 35.03 34.75 3if8 n LYS 125 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3if8 s ILE 126 N -2.18 3.93 -0.14 -0.18 1.01 -1.26 -4.89 121.20 117.48 3if8 s ILE 126 Ca -0.12 1.21 0.15 0.00 0.00 0.00 0.00 60.65 61.89 3if8 s ILE 126 Cb 0.04 -3.78 0.32 0.00 0.01 0.00 0.00 42.46 39.05 3if8 s ILE 126 CO 0.15 -0.06 1.16 -0.46 0.00 0.00 0.00 174.94 175.74 3if8 n ASN 127 N 6.13 1.78 -4.29 3.58 0.23 -1.26 -4.86 115.26 116.57 3if8 n ASN 127 Ca 0.14 -3.21 -0.20 0.00 -0.53 0.00 0.00 54.58 50.78 3if8 n ASN 127 Cb 0.44 -0.44 -0.11 0.00 -2.08 0.00 0.00 39.78 37.59 3if8 n ASN 127 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3if8 s LEU 128 N -2.52 2.43 0.30 -4.53 1.43 -1.26 -5.11 118.68 109.42 3if8 s LEU 128 Ca 0.31 -0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 52.27 3if8 s LEU 128 Cb 0.30 -0.69 -0.12 0.00 0.03 0.00 0.00 46.19 45.70 3if8 s LEU 128 CO -0.03 -0.09 1.47 -0.81 0.23 0.00 0.00 176.35 177.12 3if8 n PRO 129 N 0.36 2.39 -2.08 1.29 -0.04 -1.26 -4.91 135.00 130.74 3if8 n PRO 129 Ca -0.14 0.84 -0.41 0.00 -0.04 0.00 0.00 63.50 63.75 3if8 n PRO 129 Cb 0.57 -2.54 -0.02 0.00 -0.04 0.00 0.00 33.50 31.46 3if8 n PRO 129 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3if8 s VAL 130 N -0.37 2.82 0.15 0.52 -7.23 -1.26 -5.02 120.40 110.00 3if8 s VAL 130 Ca 0.62 0.70 -0.17 0.00 -1.81 0.00 0.00 61.98 61.32 3if8 s VAL 130 Cb -0.55 -3.45 -0.07 0.00 0.56 0.00 0.00 36.38 32.87 3if8 s VAL 130 CO 0.53 0.12 0.60 -0.89 -0.31 0.00 0.00 175.10 175.15 3if8 s THR 131 N -0.13 4.75 0.03 5.32 2.01 -1.26 -4.95 115.64 121.41 3if8 s THR 131 Ca 0.57 1.03 -0.32 0.00 0.31 0.00 0.00 61.69 63.28 3if8 s THR 131 Cb -0.40 -3.80 -0.11 0.00 0.01 0.00 0.00 72.50 68.20 3if8 s THR 131 CO 0.43 0.29 1.86 0.00 -0.69 0.00 0.00 174.62 176.52 3if8 n ALA 132 N 0.96 1.49 -2.61 7.40 0.00 -1.26 -4.99 120.51 121.50 3if8 n ALA 132 Ca -0.05 0.29 -0.27 0.00 0.00 0.00 0.00 53.44 53.41 3if8 n ALA 132 Cb 0.51 -2.56 -0.03 0.00 0.00 0.00 0.00 19.45 17.38 3if8 n ALA 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3if8 s LEU 133 N 3.43 4.09 0.25 0.00 1.02 -1.26 -5.05 118.68 121.16 3if8 s LEU 133 Ca 0.87 0.57 -0.27 0.00 0.02 0.00 0.00 54.13 55.32 3if8 s LEU 133 Cb -0.56 -3.39 -0.16 0.00 0.02 0.00 0.00 46.19 42.10 3if8 s LEU 133 CO 0.43 -0.18 0.57 -2.65 0.02 0.00 0.00 176.35 174.54 3if8 n PRO 134 N -1.08 0.27 -1.50 1.29 -0.02 -1.26 -4.75 135.00 127.96 3if8 n PRO 134 Ca -0.03 0.10 -0.43 0.00 -2.02 0.00 0.00 63.50 61.12 3if8 n PRO 134 Cb 0.54 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 3if8 n PRO 134 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3if8 n PRO 135 N 0.96 0.78 -4.59 0.52 -0.02 -1.26 -4.62 135.00 126.77 3if8 n PRO 135 Ca 0.16 0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 61.58 3if8 n PRO 135 Cb 0.28 -1.61 -0.13 0.00 -0.02 0.00 0.00 33.50 32.03 3if8 n PRO 135 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3if8 s LEU 136 N 1.26 2.99 -0.02 2.45 2.96 -0.49 -1.31 118.68 126.51 3if8 s LEU 136 Ca 0.62 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.36 3if8 s LEU 136 Cb -0.65 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 3if8 s LEU 136 CO 0.58 0.17 -0.15 0.26 -1.32 0.00 0.00 176.35 175.89 3if8 s TRP 137 N 0.33 1.45 -0.07 5.38 0.52 -0.80 0.05 118.94 125.79 3if8 s TRP 137 Ca -0.07 -0.33 0.01 0.00 0.02 0.00 0.00 56.10 55.73 3if8 s TRP 137 Cb -0.15 -0.95 0.02 0.00 -1.15 0.00 0.00 33.47 31.23 3if8 s TRP 137 CO 0.04 -0.07 -0.10 0.08 0.02 0.00 0.00 176.95 176.92 3if8 s VAL 138 N -0.18 0.99 -0.04 4.03 1.01 0.65 -1.01 120.40 125.84 3if8 s VAL 138 Ca 0.02 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 3if8 s VAL 138 Cb -0.08 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3if8 s VAL 138 CO 0.00 0.33 1.31 -0.13 0.00 0.00 0.00 175.10 176.62 3if8 s ARG 139 N 0.98 4.30 0.22 2.72 0.52 -0.88 -1.73 118.95 125.08 3if8 s ARG 139 Ca -0.09 1.82 0.11 0.00 -0.52 0.00 0.00 55.73 57.05 3if8 s ARG 139 Cb -0.15 -3.60 -0.04 0.00 0.52 0.00 0.00 34.95 31.68 3if8 s ARG 139 CO 0.00 -0.54 -0.18 0.00 0.02 0.00 0.00 175.30 174.60 3if8 n ASP 141 N -0.07 3.84 0.00 0.00 5.75 -0.76 -4.46 116.55 120.85 3if8 n ASP 141 Ca -0.10 -2.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.51 3if8 n ASP 141 Cb 0.57 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 3if8 n ASP 141 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3if8 n SER 142 N 1.23 0.00 -1.05 -1.12 7.64 -0.36 -4.81 113.62 115.15 3if8 n SER 142 Ca 0.22 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.97 3if8 n SER 142 Cb 0.66 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.80 3if8 n SER 142 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3if8 n SER 143 N 6.79 -5.67 -4.11 6.43 3.41 -1.26 -4.48 113.62 114.72 3if8 n SER 143 Ca 0.00 0.34 -0.26 0.00 -0.26 0.00 0.00 58.87 58.69 3if8 n SER 143 Cb 0.00 -4.39 -0.16 0.00 -0.26 0.00 0.00 64.21 59.40 3if8 n SER 143 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3if8 s ASP 144 N -2.50 2.08 0.08 4.04 2.15 -1.26 -5.01 116.67 116.25 3if8 s ASP 144 Ca 0.00 -0.34 -0.09 0.00 0.43 0.00 0.00 52.55 52.55 3if8 s ASP 144 Cb 0.00 -0.68 0.05 0.00 -0.30 0.00 0.00 42.92 42.00 3if8 s ASP 144 CO 0.00 0.12 0.61 -2.65 -0.17 0.00 0.00 175.17 173.08 3if8 n PRO 145 N 3.31 -0.12 -0.27 4.34 -0.02 -1.26 0.71 135.00 141.69 3if8 n PRO 145 Ca -0.19 0.60 0.05 0.00 -2.02 0.00 0.00 63.50 61.94 3if8 n PRO 145 Cb 0.53 -0.89 0.18 0.00 -0.02 0.00 0.00 33.50 33.30 3if8 n PRO 145 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3if8 n GLU 146 N -4.55 2.18 -3.51 -0.52 1.02 -1.26 -4.96 120.64 109.04 3if8 n GLU 146 Ca 0.03 -1.42 -0.20 0.00 -0.02 0.00 0.00 57.16 55.54 3if8 n GLU 146 Cb 0.14 -1.46 0.02 0.00 -0.02 0.00 0.00 31.44 30.12 3if8 n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3if8 n GLY 147 N 0.88 -1.15 3.67 0.62 0.00 0.22 -4.81 105.19 104.62 3if8 n GLY 147 Ca 0.13 0.50 -0.41 0.00 0.00 0.00 0.00 46.02 46.24 3if8 n GLY 147 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3if8 s THR 148 N -3.22 4.93 -0.04 2.61 2.01 -1.26 -3.53 115.64 117.15 3if8 s THR 148 Ca 0.23 1.52 0.14 0.00 0.31 0.00 0.00 61.69 63.88 3if8 s THR 148 Cb -0.08 -4.09 -0.21 0.00 0.01 0.00 0.00 72.50 68.14 3if8 s THR 148 CO 0.83 0.07 0.27 0.00 -0.69 0.00 0.00 174.62 175.10 3if8 s TRP 150 N -2.88 0.25 -0.09 0.00 0.52 -1.14 -1.03 118.94 114.57 3if8 s TRP 150 Ca -0.05 -0.19 0.04 0.00 0.02 0.00 0.00 56.10 55.91 3if8 s TRP 150 Cb 0.08 -0.16 0.00 0.00 -1.15 0.00 0.00 33.47 32.24 3if8 s TRP 150 CO 0.58 -0.05 -0.23 -0.51 0.02 0.00 0.00 176.95 176.76 3if8 s LEU 151 N -0.53 2.05 0.16 2.99 1.43 -0.71 -1.59 118.68 122.48 3if8 s LEU 151 Ca -0.04 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 52.62 3if8 s LEU 151 Cb -0.04 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3if8 s LEU 151 CO -0.00 0.15 -0.19 -0.83 0.23 0.00 0.00 176.35 175.70 3if8 s GLY 152 N 0.35 1.43 -0.06 -3.19 0.00 -0.64 -0.26 107.32 104.96 3if8 s GLY 152 Ca -0.18 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.05 3if8 s GLY 152 CO 0.08 -1.53 -0.03 0.00 0.00 0.00 0.00 173.10 171.62 3if8 s ALA 153 N -1.90 0.74 -0.04 3.20 0.00 0.11 -0.88 121.76 122.99 3if8 s ALA 153 Ca 0.16 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.03 3if8 s ALA 153 Cb -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.50 3if8 s ALA 153 CO 0.07 -0.17 -0.14 -2.00 0.00 0.00 0.00 175.76 173.51 3if8 s GLU 154 N 1.28 1.59 0.35 0.00 2.12 0.04 -1.40 118.70 122.68 3if8 s GLU 154 Ca -0.05 -0.50 -0.25 0.00 0.36 0.00 0.00 54.97 54.53 3if8 s GLU 154 Cb -0.14 -1.38 -0.10 0.00 0.26 0.00 0.00 34.13 32.78 3if8 s GLU 154 CO -0.02 0.16 0.99 -0.51 -0.54 0.00 0.00 175.26 175.34 3if8 s LEU 155 N 0.22 4.25 -0.35 2.70 1.43 -1.26 0.12 118.68 125.79 3if8 s LEU 155 Ca -0.06 1.92 -0.07 0.00 -1.03 0.00 0.00 54.13 54.89 3if8 s LEU 155 Cb -0.12 -4.09 0.04 0.00 0.03 0.00 0.00 46.19 42.05 3if8 s LEU 155 CO 0.02 -0.24 0.12 -0.63 0.23 0.00 0.00 176.35 175.85 3if8 s ILE 156 N -1.64 3.83 -0.22 -0.59 1.01 0.98 -4.85 121.20 119.71 3if8 s ILE 156 Ca 0.53 -1.16 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 3if8 s ILE 156 Cb -0.20 -3.19 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 3if8 s ILE 156 CO 0.25 -0.21 -0.05 0.42 0.00 0.00 0.00 174.94 175.35 3if8 s THR 157 N 1.40 3.34 -0.56 2.92 -4.23 -1.26 -1.85 115.64 115.39 3if8 s THR 157 Ca -0.01 -0.51 -0.24 0.00 -1.18 0.00 0.00 61.69 59.76 3if8 s THR 157 Cb -0.20 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.17 3if8 s THR 157 CO 0.03 0.43 0.94 -0.89 -0.54 0.00 0.00 174.62 174.58 3if8 s THR 158 N 1.44 4.39 0.00 3.99 2.01 0.25 -4.88 115.64 122.84 3if8 s THR 158 Ca 0.05 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.24 3if8 s THR 158 Cb -0.14 -4.55 0.00 0.00 0.01 0.00 0.00 72.50 67.82 3if8 s THR 158 CO -0.03 -1.15 0.00 -0.46 -0.69 0.00 0.00 174.62 172.29 3if8 n ASN 159 N 7.46 0.00 0.03 3.53 6.94 -1.26 -1.68 115.26 130.28 3if8 n ASN 159 Ca 0.01 0.00 -0.06 0.00 -0.02 0.00 0.00 54.58 54.51 3if8 n ASN 159 Cb 0.47 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.78 3if8 n ASN 159 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3if8 h ASN 160 N 0.00 0.00 -2.93 0.53 -1.07 -2.03 -3.47 115.58 106.61 3if8 h ASN 160 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 56.30 55.84 3if8 h ASN 160 Cb 0.00 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.27 3if8 h ASN 160 CO 0.00 0.91 0.80 -0.55 0.07 0.00 0.00 177.43 178.66 3if8 s SER 161 N -6.31 6.80 0.48 6.14 0.15 -0.68 -4.91 113.70 115.37 3if8 s SER 161 Ca -0.02 2.28 0.00 0.00 0.70 0.00 0.00 55.95 58.91 3if8 s SER 161 Cb 0.09 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 3if8 s SER 161 CO 0.82 -0.71 0.00 -0.38 1.20 0.00 0.00 173.24 174.17 3if8 n ILE 162 N 4.28 0.00 0.00 6.45 5.41 -1.26 0.84 119.36 135.08 3if8 n ILE 162 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.88 3if8 n ILE 162 Cb 0.42 -0.28 0.00 0.00 -0.71 0.00 0.00 39.64 39.07 3if8 n ILE 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3if8 n THR 163 N -1.82 0.00 -3.78 1.39 -1.04 -0.77 -3.94 114.28 104.31 3if8 n THR 163 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 3if8 n THR 163 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 3if8 n THR 163 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3if8 n GLY 164 N 0.00 0.82 3.06 3.41 0.00 -1.15 -5.01 105.19 106.33 3if8 n GLY 164 Ca 0.00 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 3if8 n GLY 164 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3if8 s ILE 165 N -2.17 0.53 -0.18 -0.61 -5.25 -1.26 -0.01 121.20 112.25 3if8 s ILE 165 Ca 0.18 -1.06 -0.09 0.00 -0.99 0.00 0.00 60.65 58.69 3if8 s ILE 165 Cb -0.03 -0.59 -0.05 0.00 2.95 0.00 0.00 42.46 44.74 3if8 s ILE 165 CO 0.06 -0.38 0.12 -0.69 -1.79 0.00 0.00 174.94 172.26 3if8 s VAL 166 N -1.36 5.29 -0.28 8.37 1.01 0.32 -4.90 120.40 128.86 3if8 s VAL 166 Ca -0.10 0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 3if8 s VAL 166 Cb -0.10 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.91 3if8 s VAL 166 CO 0.00 0.49 0.03 -0.76 0.00 0.00 0.00 175.10 174.86 3if8 s LEU 167 N 0.02 3.59 -0.12 3.92 1.43 -1.26 -0.78 118.68 125.48 3if8 s LEU 167 Ca 0.09 -0.72 -0.08 0.00 -1.03 0.00 0.00 54.13 52.39 3if8 s LEU 167 Cb -0.11 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3if8 s LEU 167 CO -0.00 -0.16 0.16 -0.31 0.23 0.00 0.00 176.35 176.27 3if8 s TYR 168 N 1.45 3.59 -0.08 0.29 2.02 -0.05 -4.95 117.35 119.62 3if8 s TYR 168 Ca 0.02 0.54 0.04 0.00 -0.37 0.00 0.00 57.07 57.30 3if8 s TYR 168 Cb -0.17 -1.99 -0.01 0.00 -0.40 0.00 0.00 41.96 39.39 3if8 s TYR 168 CO 0.00 0.69 -0.19 0.08 -1.57 0.00 0.00 175.55 174.56 3if8 s VAL 169 N -0.89 2.59 -0.12 0.71 1.01 -1.26 -1.63 120.40 120.82 3if8 s VAL 169 Ca 0.15 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.29 3if8 s VAL 169 Cb -0.12 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.26 3if8 s VAL 169 CO 0.04 0.56 -0.20 -0.69 0.00 0.00 0.00 175.10 174.82 3if8 s VAL 170 N -0.13 1.81 0.16 2.92 1.01 -0.62 -5.01 120.40 120.55 3if8 s VAL 170 Ca -0.03 -0.84 0.11 0.00 0.00 0.00 0.00 61.98 61.22 3if8 s VAL 170 Cb -0.14 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 3if8 s VAL 170 CO 0.04 0.50 -0.25 -0.94 0.00 0.00 0.00 175.10 174.45 3if8 s SER 171 N 0.77 3.32 -0.04 3.32 1.04 -1.26 0.15 113.70 120.99 3if8 s SER 171 Ca -0.10 -0.81 -0.02 0.00 0.48 0.00 0.00 55.95 55.50 3if8 s SER 171 Cb -0.16 -0.23 0.03 0.00 0.10 0.00 0.00 66.02 65.76 3if8 s SER 171 CO 0.01 0.13 0.07 0.00 0.98 0.00 0.00 173.24 174.44 3if8 s LYS 173 N 2.00 2.38 -0.11 0.00 -0.14 -1.26 -5.03 119.74 117.58 3if8 s LYS 173 Ca 0.02 -0.79 0.02 0.00 -1.36 0.00 0.00 55.97 53.86 3if8 s LYS 173 Cb -0.12 -2.35 -0.01 0.00 -1.68 0.00 0.00 37.83 33.67 3if8 s LYS 173 CO -0.04 0.59 -0.19 0.00 -0.76 0.00 0.00 175.35 174.95 3if8 s ALA 174 N -0.86 2.37 0.23 5.17 0.00 -1.26 -5.13 121.76 122.28 3if8 s ALA 174 Ca 0.14 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 51.00 3if8 s ALA 174 Cb -0.11 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.05 3if8 s ALA 174 CO 0.04 0.28 0.54 0.34 0.00 0.00 0.00 175.76 176.96 3if8 s ASP 175 N 0.31 -0.18 0.41 0.00 -1.08 -1.26 -5.03 116.67 109.83 3if8 s ASP 175 Ca -0.15 -0.70 0.16 0.00 -0.52 0.00 0.00 52.55 51.35 3if8 s ASP 175 Cb -0.17 0.61 0.88 0.00 -1.46 0.00 0.00 42.92 42.78 3if8 s ASP 175 CO 0.07 -1.14 1.88 0.07 0.52 0.00 0.00 175.17 176.57 3if8 h LYS 176 N 2.19 0.00 -5.30 4.34 5.09 -2.10 -3.46 116.57 117.33 3if8 h LYS 176 Ca -0.26 0.00 -0.63 0.00 0.09 0.00 0.00 60.65 59.85 3if8 h LYS 176 Cb 1.25 0.00 -0.13 0.00 0.10 0.00 0.00 32.23 33.45 3if8 h LYS 176 CO 0.34 0.30 -0.55 -0.80 -2.09 0.00 0.00 179.45 176.66 3if8 s ASN 177 N -6.76 3.75 -0.03 7.07 0.01 -1.26 -5.17 114.94 112.55 3if8 s ASN 177 Ca -0.03 -1.56 -0.30 0.00 -0.71 0.00 0.00 52.86 50.27 3if8 s ASN 177 Cb 0.14 0.23 0.08 0.00 0.41 0.00 0.00 41.25 42.11 3if8 s ASN 177 CO 0.69 -0.74 0.71 -0.72 -1.51 0.00 0.00 177.10 175.54 3if8 s TYR 178 N -2.91 -0.60 -0.06 2.20 -0.85 -1.26 -5.06 117.35 108.82 3if8 s TYR 178 Ca 0.18 0.93 -0.02 0.00 -0.52 0.00 0.00 57.07 57.64 3if8 s TYR 178 Cb 0.05 0.44 0.04 0.00 0.38 0.00 0.00 41.96 42.86 3if8 s TYR 178 CO 0.09 -0.61 0.12 -1.12 -1.52 0.00 0.00 175.55 172.51 3if8 s SER 179 N -1.45 -0.03 0.04 -0.18 0.01 -1.26 -5.14 113.70 105.69 3if8 s SER 179 Ca -0.08 0.24 -0.23 0.00 1.31 0.00 0.00 55.95 57.20 3if8 s SER 179 Cb -0.00 0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.41 3if8 s SER 179 CO 0.05 -0.15 0.53 0.54 0.41 0.00 0.00 173.24 174.62 3if8 s VAL 180 N 1.21 0.03 -0.09 3.43 0.11 -1.26 -5.16 120.40 118.67 3if8 s VAL 180 Ca -0.09 -0.23 -0.03 0.00 -2.93 0.00 0.00 61.98 58.71 3if8 s VAL 180 Cb -0.12 -0.96 0.05 0.00 -1.53 0.00 0.00 36.38 33.82 3if8 s VAL 180 CO -0.05 -0.12 0.16 0.21 -3.33 0.00 0.00 175.10 171.97 3if8 s ASN 181 N -1.88 0.69 0.46 3.54 2.47 -1.26 -5.03 114.94 113.93 3if8 s ASN 181 Ca -0.06 0.35 0.22 0.00 0.42 0.00 0.00 52.86 53.78 3if8 s ASN 181 Cb -0.01 0.29 1.21 0.00 -1.45 0.00 0.00 41.25 41.30 3if8 s ASN 181 CO -0.00 -0.24 1.87 0.25 -3.72 0.00 0.00 177.10 175.25 3if8 h LEU 182 N 8.31 0.28 -0.03 3.21 6.46 -1.99 -1.20 115.31 130.34 3if8 h LEU 182 Ca -0.14 0.03 -0.12 0.00 -0.12 0.00 0.00 57.88 57.52 3if8 h LEU 182 Cb 1.12 -0.02 0.01 0.00 -0.73 0.00 0.00 40.66 41.04 3if8 h LEU 182 CO 0.15 0.11 -0.46 -0.08 -0.62 0.00 0.00 178.44 177.54 3if8 h GLU 183 N 0.27 0.37 -0.68 1.25 4.57 -1.99 -2.48 114.58 115.89 3if8 h GLU 183 Ca 0.45 -0.35 0.10 0.00 -1.18 0.00 0.00 59.36 58.38 3if8 h GLU 183 Cb 1.32 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 29.93 3if8 h GLU 183 CO -0.13 1.02 0.30 -0.91 -1.18 0.00 0.00 179.01 178.11 3if8 h ASN 184 N -0.15 0.35 -0.13 1.04 2.35 -1.67 -0.09 115.58 117.28 3if8 h ASN 184 Ca -0.05 0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.62 3if8 h ASN 184 Cb 1.15 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 3if8 h ASN 184 CO 0.09 0.20 -0.49 -0.07 -1.65 0.00 0.00 177.43 175.51 3if8 h LEU 185 N 0.51 0.76 -0.24 1.61 3.38 -1.43 0.22 115.31 120.13 3if8 h LEU 185 Ca 0.34 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3if8 h LEU 185 Cb 0.41 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3if8 h LEU 185 CO -0.30 1.12 0.07 0.11 0.09 0.00 0.00 178.44 179.53 3if8 h LYS 186 N 0.55 0.17 -0.04 1.13 1.57 -0.91 -1.82 116.57 117.22 3if8 h LYS 186 Ca 0.03 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3if8 h LYS 186 Cb 1.05 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 3if8 h LYS 186 CO 0.10 0.11 -0.06 -0.91 -0.57 0.00 0.00 179.45 178.12 3if8 h ASN 187 N 0.17 0.13 -0.98 0.86 2.35 -0.85 -1.78 115.58 115.48 3if8 h ASN 187 Ca 0.11 -0.52 0.31 0.00 -0.55 0.00 0.00 56.30 55.65 3if8 h ASN 187 Cb 0.09 -0.04 -0.15 0.00 0.05 0.00 0.00 38.32 38.27 3if8 h ASN 187 CO -0.12 0.62 0.49 0.25 -1.65 0.00 0.00 177.43 177.02 3if8 h LEU 188 N -0.36 0.38 -0.12 1.61 6.46 -0.53 0.90 115.31 123.65 3if8 h LEU 188 Ca 0.01 0.20 -0.14 0.00 -0.12 0.00 0.00 57.88 57.83 3if8 h LEU 188 Cb 0.59 0.18 0.01 0.00 -0.73 0.00 0.00 40.66 40.71 3if8 h LEU 188 CO 0.01 -0.17 -0.46 -0.74 -0.62 0.00 0.00 178.44 176.47 3if8 h HIS 189 N 0.27 0.69 0.17 1.25 2.76 -1.19 -2.70 115.15 116.40 3if8 h HIS 189 Ca 0.71 -0.29 -0.01 0.00 -2.20 0.00 0.00 60.37 58.58 3if8 h HIS 189 Cb 1.60 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 30.45 3if8 h HIS 189 CO -0.07 1.06 -0.09 0.87 -1.30 0.00 0.00 177.93 178.40 3if8 h LYS 190 N 0.12 -0.24 0.10 5.26 1.57 0.69 -2.11 116.57 121.96 3if8 h LYS 190 Ca -0.02 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3if8 h LYS 190 Cb 1.10 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3if8 h LYS 190 CO 0.10 -0.16 -0.11 0.87 -0.57 0.00 0.00 179.45 179.58 3if8 h LYS 191 N -0.24 -0.23 -0.20 3.15 1.57 0.45 0.05 116.57 121.12 3if8 h LYS 191 Ca -0.02 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3if8 h LYS 191 Cb 0.20 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3if8 h LYS 191 CO 0.03 -0.15 -0.06 -0.09 -0.57 0.00 0.00 179.45 178.61 3if8 h ARG 192 N -0.24 0.30 -0.09 3.15 1.12 -1.44 -3.07 114.38 114.12 3if8 h ARG 192 Ca 0.01 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 3if8 h ARG 192 Cb 0.23 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.14 3if8 h ARG 192 CO -0.04 0.38 0.00 0.72 -3.11 0.00 0.00 179.97 177.92 3if8 n HIS 193 N -4.31 0.15 -3.28 2.20 8.25 -0.80 -5.05 115.22 112.39 3if8 n HIS 193 Ca -0.00 -0.60 -0.23 0.00 -0.26 0.00 0.00 57.72 56.63 3if8 n HIS 193 Cb 0.23 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.28 3if8 n HIS 193 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3if8 n HIS 194 N -0.45 -2.91 -4.02 4.41 8.25 -0.03 -5.03 115.22 115.43 3if8 n HIS 194 Ca 0.06 1.19 -0.09 0.00 -0.26 0.00 0.00 57.72 58.62 3if8 n HIS 194 Cb 0.39 -2.95 -0.11 0.00 1.12 0.00 0.00 29.99 28.44 3if8 n HIS 194 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3if8 s LEU 195 N -3.01 2.30 -0.25 2.41 1.43 -0.98 -5.06 118.68 115.53 3if8 s LEU 195 Ca 0.25 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 3if8 s LEU 195 Cb -0.04 0.07 -0.15 0.00 0.03 0.00 0.00 46.19 46.09 3if8 s LEU 195 CO 0.83 -0.35 -0.23 -1.54 0.23 0.00 0.00 176.35 175.29 3if8 n SER 196 N 1.21 2.08 -4.76 2.29 3.41 -1.26 -4.78 113.62 111.82 3if8 n SER 196 Ca -0.21 -0.09 -0.23 0.00 -0.26 0.00 0.00 58.87 58.08 3if8 n SER 196 Cb 0.56 -0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 3if8 n SER 196 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3if8 s THR 197 N -2.49 2.66 -0.28 6.66 -4.23 -1.26 -5.13 115.64 111.56 3if8 s THR 197 Ca -0.33 -1.64 -0.19 0.00 -1.18 0.00 0.00 61.69 58.34 3if8 s THR 197 Cb 0.09 -2.99 0.12 0.00 1.34 0.00 0.00 72.50 71.06 3if8 s THR 197 CO 0.55 -0.08 0.91 -0.69 -0.54 0.00 0.00 174.62 174.77 3if8 s VAL 198 N -2.51 0.00 0.52 2.29 1.01 -1.26 -5.04 120.40 115.41 3if8 s VAL 198 Ca 0.41 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.41 3if8 s VAL 198 Cb 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.40 3if8 s VAL 198 CO 0.23 0.00 0.20 1.07 0.00 0.00 0.00 175.10 176.60 3if8 n THR 199 N 3.35 0.00 -4.03 3.92 5.66 -1.26 -5.16 114.28 116.76 3if8 n THR 199 Ca -0.17 -2.25 -0.09 0.00 -3.05 0.00 0.00 64.05 58.49 3if8 n THR 199 Cb 0.57 0.22 -0.11 0.00 -1.55 0.00 0.00 70.33 69.47 3if8 n THR 199 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3if8 s SER 200 N -3.95 0.42 -0.01 1.09 1.04 -1.26 -5.04 113.70 105.99 3if8 s SER 200 Ca 0.15 -0.70 0.02 0.00 0.48 0.00 0.00 55.95 55.89 3if8 s SER 200 Cb -0.01 0.13 -0.00 0.00 0.10 0.00 0.00 66.02 66.24 3if8 s SER 200 CO 0.10 -0.41 -0.05 -0.75 0.98 0.00 0.00 173.24 173.11 3if8 s LYS 201 N -2.45 0.45 0.18 4.02 2.20 -1.26 -4.00 119.74 118.88 3if8 s LYS 201 Ca -0.06 -0.17 0.09 0.00 -0.36 0.00 0.00 55.97 55.47 3if8 s LYS 201 Cb -0.03 -0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 35.80 3if8 s LYS 201 CO -0.04 0.09 -0.07 0.20 -0.36 0.00 0.00 175.35 175.16 3if8 s GLY 202 N 0.02 1.73 -0.18 5.54 0.00 0.98 -4.83 107.32 110.59 3if8 s GLY 202 Ca 0.00 -1.46 -0.14 0.00 0.00 0.00 0.00 44.72 43.13 3if8 s GLY 202 CO -0.00 -1.48 0.45 -0.12 0.00 0.00 0.00 173.10 171.95 3if8 s PHE 203 N -1.73 -0.56 0.02 1.90 5.36 -1.26 -2.32 117.98 119.39 3if8 s PHE 203 Ca 0.26 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.52 3if8 s PHE 203 Cb -0.09 0.23 -0.02 0.00 -0.34 0.00 0.00 43.02 42.80 3if8 s PHE 203 CO 0.16 -0.29 -0.03 0.00 -1.46 0.00 0.00 175.22 173.60 3if8 s ALA 204 N 0.69 0.15 -0.06 11.12 0.00 0.02 -4.99 121.76 128.69 3if8 s ALA 204 Ca -0.04 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.49 3if8 s ALA 204 Cb -0.05 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.17 3if8 s ALA 204 CO -0.05 -0.10 -0.19 -1.14 0.00 0.00 0.00 175.76 174.28 3if8 s GLN 205 N -1.13 2.16 -0.20 0.00 0.74 -1.26 -1.15 119.66 118.83 3if8 s GLN 205 Ca -0.12 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 54.63 3if8 s GLN 205 Cb -0.08 -1.78 0.04 0.00 1.10 0.00 0.00 33.01 32.29 3if8 s GLN 205 CO -0.01 0.21 -0.13 0.71 -0.55 0.00 0.00 175.29 175.53 3if8 s TYR 206 N 0.18 2.58 -0.33 1.67 2.02 -0.25 -4.96 117.35 118.27 3if8 s TYR 206 Ca -0.09 -1.66 -0.29 0.00 -0.37 0.00 0.00 57.07 54.66 3if8 s TYR 206 Cb -0.14 -1.73 -0.00 0.00 -0.40 0.00 0.00 41.96 39.68 3if8 s TYR 206 CO 0.04 -0.77 1.49 -2.00 -1.57 0.00 0.00 175.55 172.74 3if8 s GLU 207 N 1.34 3.67 -0.14 -0.62 2.12 -1.26 -0.10 118.70 123.72 3if8 s GLU 207 Ca -0.00 1.25 0.04 0.00 0.36 0.00 0.00 54.97 56.61 3if8 s GLU 207 Cb -0.16 -4.02 -0.23 0.00 0.26 0.00 0.00 34.13 29.98 3if8 s GLU 207 CO -0.09 -1.44 0.30 1.28 -0.54 0.00 0.00 175.26 174.77 3if8 n LEU 208 N 8.66 1.82 -3.69 2.70 4.77 -0.04 -4.96 117.00 126.26 3if8 n LEU 208 Ca 0.18 0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 56.23 3if8 n LEU 208 Cb 0.47 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 3if8 n LEU 208 CO 0.67 0.69 0.12 0.12 -1.33 0.00 0.00 177.39 177.66 3if8 s PHE 209 N -2.55 -0.69 0.00 -1.77 2.19 -0.93 -5.00 117.98 109.23 3if8 s PHE 209 Ca -0.18 1.46 0.00 0.00 0.33 0.00 0.00 56.93 58.54 3if8 s PHE 209 Cb 0.07 0.33 0.00 0.00 -1.31 0.00 0.00 43.02 42.12 3if8 s PHE 209 CO 0.76 -0.37 0.00 1.63 1.83 0.00 0.00 175.22 179.07 3if8 n LYS 210 N 4.13 1.35 0.00 10.12 4.76 -1.26 -1.02 118.16 136.23 3if8 n LYS 210 Ca -0.22 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.22 3if8 n LYS 210 Cb 0.56 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 3if8 n LYS 210 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3if8 n SER 211 N 0.00 0.00 0.00 4.39 3.41 -1.26 -4.66 113.62 115.50 3if8 n SER 211 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3if8 n SER 211 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3if8 n SER 211 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3if8 n GLN 222 N 0.00 0.00 -2.31 4.33 -0.00 -1.26 -5.22 117.38 112.92 3if8 n GLN 222 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.00 56.94 3if8 n GLN 222 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 30.24 30.27 3if8 n GLN 222 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 3if8 n THR 223 N 0.00 -3.42 -3.65 -0.39 -2.24 -0.45 -4.99 114.28 99.14 3if8 n THR 223 Ca 0.00 -0.39 -0.05 0.00 -2.27 0.00 0.00 64.05 61.34 3if8 n THR 223 Cb 0.00 -4.00 -0.07 0.00 -2.10 0.00 0.00 70.33 64.16 3if8 n THR 223 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3if8 s ALA 224 N -3.14 -1.63 -0.12 6.98 0.00 -0.97 -4.62 121.76 118.26 3if8 s ALA 224 Ca 0.11 1.96 0.03 0.00 0.00 0.00 0.00 51.96 54.06 3if8 s ALA 224 Cb -0.01 -1.55 0.01 0.00 0.00 0.00 0.00 23.12 21.56 3if8 s ALA 224 CO 0.28 -0.82 -0.20 0.42 0.00 0.00 0.00 175.76 175.44 3if8 s ILE 225 N 2.70 1.83 0.08 0.00 1.01 -0.19 -0.92 121.20 125.71 3if8 s ILE 225 Ca -0.04 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.79 3if8 s ILE 225 Cb -0.12 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 3if8 s ILE 225 CO -0.16 0.51 -0.10 0.00 0.00 0.00 0.00 174.94 175.18 3if8 s ALA 226 N 0.73 1.04 -0.23 9.38 0.00 -0.28 -0.86 121.76 131.54 3if8 s ALA 226 Ca -0.10 -1.10 -0.07 0.00 0.00 0.00 0.00 51.96 50.69 3if8 s ALA 226 Cb -0.16 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 3if8 s ALA 226 CO 0.01 -0.00 0.07 -1.17 0.00 0.00 0.00 175.76 174.67 3if8 s LEU 227 N -2.21 3.53 -0.20 0.00 2.96 0.86 0.77 118.68 124.39 3if8 s LEU 227 Ca 0.02 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.71 3if8 s LEU 227 Cb -0.05 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 3if8 s LEU 227 CO 0.00 0.02 0.09 -1.81 -1.32 0.00 0.00 176.35 173.33 3if8 s ASP 228 N 1.30 5.73 -0.07 3.68 1.01 0.48 -1.09 116.67 127.71 3if8 s ASP 228 Ca 0.05 0.08 0.01 0.00 0.71 0.00 0.00 52.55 53.40 3if8 s ASP 228 Cb -0.15 -2.00 0.02 0.00 1.01 0.00 0.00 42.92 41.81 3if8 s ASP 228 CO 0.04 0.14 -0.09 -0.63 0.21 0.00 0.00 175.17 174.83 3if8 s ILE 229 N 0.58 0.95 0.03 0.77 1.01 -0.30 -0.84 121.20 123.41 3if8 s ILE 229 Ca 0.04 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.38 3if8 s ILE 229 Cb -0.13 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 3if8 s ILE 229 CO 0.01 0.32 -0.11 -0.94 0.00 0.00 0.00 174.94 174.22 3if8 s SER 230 N 0.92 1.28 0.15 3.58 1.04 0.29 -0.80 113.70 120.16 3if8 s SER 230 Ca -0.10 -0.41 -0.09 0.00 0.48 0.00 0.00 55.95 55.83 3if8 s SER 230 Cb -0.15 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 65.90 3if8 s SER 230 CO 0.01 -0.02 0.26 -1.66 0.98 0.00 0.00 173.24 172.82 3if8 s TRP 231 N -0.84 0.37 -0.00 5.02 -2.14 -0.98 -0.06 118.94 120.31 3if8 s TRP 231 Ca -0.01 -0.74 0.02 0.00 2.66 0.00 0.00 56.10 58.03 3if8 s TRP 231 Cb -0.07 -0.07 -0.01 0.00 -3.10 0.00 0.00 33.47 30.23 3if8 s TRP 231 CO 0.01 -0.69 -0.06 0.45 -2.66 0.00 0.00 176.95 174.00 3if8 s SER 232 N -2.95 0.72 0.50 -2.66 0.15 -1.26 -0.01 113.70 108.19 3if8 s SER 232 Ca 0.15 -0.14 0.09 0.00 0.70 0.00 0.00 55.95 56.75 3if8 s SER 232 Cb 0.04 -0.07 0.05 0.00 -1.71 0.00 0.00 66.02 64.33 3if8 s SER 232 CO -0.02 0.06 0.68 -2.16 1.20 0.00 0.00 173.24 173.00 3if8 s PRO 233 N -0.24 2.54 -0.10 5.44 0.04 -1.26 -5.07 135.00 136.35 3if8 s PRO 233 Ca 0.02 -1.47 -0.18 0.00 0.04 0.00 0.00 61.00 59.41 3if8 s PRO 233 Cb -0.03 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 3if8 s PRO 233 CO -0.00 -0.59 0.46 0.08 0.04 0.00 0.00 177.00 177.00 3if8 s VAL 234 N -2.53 5.16 0.00 -0.36 1.01 -1.26 -4.89 120.40 117.53 3if8 s VAL 234 Ca 0.58 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.50 3if8 s VAL 234 Cb -0.08 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3if8 s VAL 234 CO 0.36 0.37 0.92 -0.90 0.00 0.00 0.00 175.10 175.84 3if8 n ASP 235 N 3.39 1.69 -3.64 3.32 5.75 -1.26 -4.90 116.55 120.90 3if8 n ASP 235 Ca -0.08 -1.84 -0.08 0.00 -0.01 0.00 0.00 54.79 52.78 3if8 n ASP 235 Cb 0.52 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.54 3if8 n ASP 235 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3if8 s GLU 236 N -0.84 0.58 0.03 0.11 2.12 -1.26 -5.07 118.70 114.37 3if8 s GLU 236 Ca 0.00 0.84 -0.30 0.00 0.36 0.00 0.00 54.97 55.87 3if8 s GLU 236 Cb 0.00 0.20 -0.05 0.00 0.26 0.00 0.00 34.13 34.54 3if8 s GLU 236 CO 0.00 -0.09 1.27 -1.50 -0.54 0.00 0.00 175.26 174.39 3if8 s ILE 237 N 0.90 3.92 -0.21 -3.70 2.07 -1.26 -2.03 121.20 120.89 3if8 s ILE 237 Ca -0.04 1.34 0.00 0.00 -1.41 0.00 0.00 60.65 60.54 3if8 s ILE 237 Cb -0.05 -3.86 0.00 0.00 0.13 0.00 0.00 42.46 38.68 3if8 s ILE 237 CO -0.11 0.06 0.00 0.18 -1.91 0.00 0.00 174.94 173.16 3if8 n LEU 238 N 4.54 -0.02 -4.60 8.50 4.32 -1.26 -5.00 117.00 123.48 3if8 n LEU 238 Ca 0.11 0.05 -0.45 0.00 -0.02 0.00 0.00 56.01 55.69 3if8 n LEU 238 Cb 0.45 -0.96 -0.02 0.00 -1.62 0.00 0.00 43.42 41.27 3if8 n LEU 238 CO 0.56 -0.22 0.65 1.67 -1.22 0.00 0.00 177.39 178.83 3if8 n GLN 239 N -2.46 1.43 -2.57 3.23 7.27 -0.86 -4.91 117.38 118.52 3if8 n GLN 239 Ca -0.02 0.50 -0.43 0.00 0.07 0.00 0.00 57.00 57.13 3if8 n GLN 239 Cb 0.12 -1.93 -0.02 0.00 2.41 0.00 0.00 30.24 30.82 3if8 n GLN 239 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3if8 s ILE 240 N -0.85 4.52 0.05 1.69 1.01 -1.26 -4.97 121.20 121.39 3if8 s ILE 240 Ca 0.61 1.83 -0.37 0.00 0.00 0.00 0.00 60.65 62.73 3if8 s ILE 240 Cb -0.71 -4.18 -0.16 0.00 0.01 0.00 0.00 42.46 37.41 3if8 s ILE 240 CO 0.58 -0.13 1.40 -2.65 0.00 0.00 0.00 174.94 174.15 3if8 n PRO 241 N 6.15 1.22 -1.54 2.79 -0.02 -1.26 -4.92 135.00 137.42 3if8 n PRO 241 Ca 0.12 0.44 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 3if8 n PRO 241 Cb 0.46 -2.10 0.08 0.00 -0.02 0.00 0.00 33.50 31.92 3if8 n PRO 241 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3if8 s PRO 242 N 0.88 2.28 0.23 0.52 0.04 -1.26 -4.94 135.00 132.75 3if8 s PRO 242 Ca 0.86 0.73 0.23 0.00 0.04 0.00 0.00 61.00 62.86 3if8 s PRO 242 Cb -0.95 -1.93 0.94 0.00 0.04 0.00 0.00 34.50 32.60 3if8 s PRO 242 CO 0.48 -1.51 1.68 1.28 0.04 0.00 0.00 177.00 178.98 3if8 n LEU 243 N -3.37 0.59 -0.31 -3.56 4.77 -1.26 -1.44 117.00 112.42 3if8 n LEU 243 Ca 0.07 0.65 0.14 0.00 -0.03 0.00 0.00 56.01 56.84 3if8 n LEU 243 Cb 0.55 -0.57 0.64 0.00 -2.33 0.00 0.00 43.42 41.72 3if8 n LEU 243 CO 0.56 -0.52 0.93 -1.54 -1.33 0.00 0.00 177.39 175.49 3if8 n SER 244 N -2.15 0.96 -4.66 -1.43 3.41 -1.26 -4.90 113.62 103.58 3if8 n SER 244 Ca 0.02 -1.36 -0.31 0.00 -0.26 0.00 0.00 58.87 56.96 3if8 n SER 244 Cb 0.22 -0.01 0.17 0.00 -0.26 0.00 0.00 64.21 64.33 3if8 n SER 244 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3if8 s SER 245 N -1.93 2.80 0.15 4.04 0.01 -0.52 -5.00 113.70 113.25 3if8 s SER 245 Ca 0.40 2.16 -0.10 0.00 1.31 0.00 0.00 55.95 59.72 3if8 s SER 245 Cb 0.20 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.81 3if8 s SER 245 CO 0.33 -3.18 0.49 -0.89 0.41 0.00 0.00 173.24 170.40 3if8 s THR 246 N -2.64 4.98 0.03 1.44 2.01 0.92 -4.93 115.64 117.45 3if8 s THR 246 Ca 0.67 0.52 -0.16 0.00 0.31 0.00 0.00 61.69 63.03 3if8 s THR 246 Cb -0.23 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.65 3if8 s THR 246 CO 0.58 0.13 0.35 0.00 -0.69 0.00 0.00 174.62 174.99 3if8 s ALA 247 N -1.58 -0.82 -0.01 7.40 0.00 -1.26 -0.55 121.76 124.94 3if8 s ALA 247 Ca 0.40 0.19 -0.08 0.00 0.00 0.00 0.00 51.96 52.47 3if8 s ALA 247 Cb -0.13 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.26 3if8 s ALA 247 CO 0.20 -0.39 0.15 0.95 0.00 0.00 0.00 175.76 176.67 3if8 s THR 248 N -2.25 0.07 -0.28 0.00 -4.23 -0.02 -5.01 115.64 103.92 3if8 s THR 248 Ca -0.07 -0.56 -0.24 0.00 -1.18 0.00 0.00 61.69 59.64 3if8 s THR 248 Cb -0.02 -0.41 -0.00 0.00 1.34 0.00 0.00 72.50 73.41 3if8 s THR 248 CO -0.01 -0.31 0.83 -0.76 -0.54 0.00 0.00 174.62 173.83 3if8 s LEU 249 N -1.13 4.07 -0.25 4.79 1.43 -1.26 -0.39 118.68 125.94 3if8 s LEU 249 Ca -0.12 0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 53.67 3if8 s LEU 249 Cb -0.06 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 3if8 s LEU 249 CO 0.02 -0.60 0.38 0.20 0.23 0.00 0.00 176.35 176.58 3if8 s ASN 250 N 1.51 6.30 -0.21 2.29 -0.87 0.23 -4.97 114.94 119.23 3if8 s ASN 250 Ca 0.34 0.35 0.01 0.00 -1.57 0.00 0.00 52.86 51.99 3if8 s ASN 250 Cb -0.14 -2.21 0.04 0.00 -0.02 0.00 0.00 41.25 38.91 3if8 s ASN 250 CO 0.11 -0.16 -0.12 -0.63 -2.57 0.00 0.00 177.10 173.73 3if8 s ILE 251 N 1.87 1.82 -0.09 0.60 1.01 -1.26 -1.13 121.20 124.02 3if8 s ILE 251 Ca 0.16 -1.12 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 3if8 s ILE 251 Cb -0.15 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3if8 s ILE 251 CO 0.09 0.20 -0.22 1.17 0.00 0.00 0.00 174.94 176.18 3if8 n LYS 252 N 4.62 0.34 0.00 2.79 3.00 -0.10 -5.00 118.16 123.81 3if8 n LYS 252 Ca -0.16 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 3if8 n LYS 252 Cb 0.46 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 34.42 3if8 n LYS 252 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 3if8 n HIS 264 N -3.99 0.00 -0.96 5.64 -0.00 -1.26 -1.35 115.22 113.30 3if8 n HIS 264 Ca -0.09 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.33 3if8 n HIS 264 Cb 0.33 0.00 0.15 0.00 -0.00 0.00 0.00 29.99 30.47 3if8 n HIS 264 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 3if8 s LEU 265 N 0.00 2.43 0.63 2.39 0.05 -1.26 -4.94 118.68 117.98 3if8 s LEU 265 Ca 0.00 1.80 -0.18 0.00 0.05 0.00 0.00 54.13 55.80 3if8 s LEU 265 Cb 0.00 -4.20 -0.04 0.00 -2.05 0.00 0.00 46.19 39.90 3if8 s LEU 265 CO 0.00 -2.86 0.89 0.00 -0.55 0.00 0.00 176.35 173.83 3if8 n TYR 266 N -4.05 0.52 -0.04 3.48 0.18 -1.26 -4.72 117.16 111.27 3if8 n TYR 266 Ca 0.08 0.42 -0.10 0.00 1.88 0.00 0.00 57.90 60.19 3if8 n TYR 266 Cb 0.54 -2.09 -0.03 0.00 -0.38 0.00 0.00 39.34 37.37 3if8 n TYR 266 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 3if8 h ARG 267 N 0.25 0.23 -0.59 -3.48 9.65 -1.99 -2.31 114.38 116.14 3if8 h ARG 267 Ca -0.48 -0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.45 3if8 h ARG 267 Cb 1.36 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 29.84 3if8 h ARG 267 CO 0.49 0.15 0.28 0.93 2.80 0.00 0.00 179.97 184.62 3if8 h GLU 268 N 0.23 0.51 -0.33 0.20 5.08 -1.99 0.20 114.58 118.48 3if8 h GLU 268 Ca 0.08 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 3if8 h GLU 268 Cb 0.00 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3if8 h GLU 268 CO -0.04 0.34 -0.15 1.25 -1.00 0.00 0.00 179.01 179.40 3if8 h LEU 269 N 0.53 0.71 -0.80 1.33 6.46 -1.91 -1.67 115.31 119.95 3if8 h LEU 269 Ca 0.28 -0.40 0.06 0.00 -0.12 0.00 0.00 57.88 57.69 3if8 h LEU 269 Cb 0.24 -0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 39.92 3if8 h LEU 269 CO -0.22 0.95 0.49 0.50 -0.62 0.00 0.00 178.44 179.54 3if8 h LYS 270 N 0.46 0.87 -0.26 1.25 3.64 -0.80 -1.74 116.57 119.98 3if8 h LYS 270 Ca 0.07 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3if8 h LYS 270 Cb 0.68 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3if8 h LYS 270 CO 0.05 0.57 0.10 0.35 -2.27 0.00 0.00 179.45 178.25 3if8 h PHE 271 N 0.89 0.41 -0.68 1.91 3.57 -0.55 -1.71 116.94 120.77 3if8 h PHE 271 Ca 0.35 -0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.93 3if8 h PHE 271 Cb 0.16 -0.12 -0.12 0.00 2.79 0.00 0.00 35.95 38.66 3if8 h PHE 271 CO -0.04 0.43 -0.36 1.25 -2.23 0.00 0.00 178.31 177.36 3if8 h LEU 272 N 0.27 -1.26 -0.92 0.59 5.85 -0.78 -0.85 115.31 118.20 3if8 h LEU 272 Ca 0.09 0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.98 3if8 h LEU 272 Cb 0.20 0.63 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 3if8 h LEU 272 CO -0.01 -0.30 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.67 3if8 h LEU 273 N -0.13 0.71 -0.12 2.25 3.38 -1.13 -0.94 115.31 119.33 3if8 h LEU 273 Ca 0.25 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3if8 h LEU 273 Cb 0.56 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3if8 h LEU 273 CO -0.75 0.81 -0.08 0.58 0.09 0.00 0.00 178.44 179.08 3if8 h VAL 274 N 0.68 0.75 -0.54 1.22 2.07 -0.46 0.14 116.25 120.12 3if8 h VAL 274 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3if8 h VAL 274 Cb 0.49 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3if8 h VAL 274 CO 0.03 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.89 3if8 h LEU 275 N -0.09 0.59 -0.14 2.57 3.38 -0.84 -1.26 115.31 119.52 3if8 h LEU 275 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3if8 h LEU 275 Cb 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3if8 h LEU 275 CO -0.17 0.42 0.09 0.00 0.09 0.00 0.00 178.44 178.87 3if8 h ALA 276 N 1.21 0.18 -0.69 1.53 0.00 -0.68 -1.25 119.26 119.55 3if8 h ALA 276 Ca 0.20 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3if8 h ALA 276 Cb -0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3if8 h ALA 276 CO -0.06 -0.34 0.15 -0.44 0.00 0.00 0.00 179.25 178.56 3if8 h ASP 277 N 0.19 1.07 -0.12 0.00 3.32 -0.65 -2.24 116.42 117.99 3if8 h ASP 277 Ca 0.05 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.88 3if8 h ASP 277 Cb -0.02 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3if8 h ASP 277 CO -0.01 1.04 -0.01 1.23 -1.72 0.00 0.00 179.24 179.77 3if8 h GLY 278 N 1.06 0.11 1.69 2.75 0.00 -1.05 0.60 103.07 108.22 3if8 h GLY 278 Ca 0.21 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.61 3if8 h GLY 278 CO 0.01 -0.03 0.11 -2.00 0.00 0.00 0.00 176.54 174.63 3if8 h LEU 279 N 0.03 0.00 0.19 3.11 6.46 -1.07 1.16 115.31 125.19 3if8 h LEU 279 Ca 0.06 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.47 3if8 h LEU 279 Cb 0.07 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.02 3if8 h LEU 279 CO -0.11 0.00 -1.68 -0.09 -0.62 0.00 0.00 178.44 175.94 3if8 h ARG 280 N 0.00 0.40 0.00 1.25 2.43 -0.68 -3.40 114.38 114.37 3if8 h ARG 280 Ca 0.07 -0.68 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 3if8 h ARG 280 Cb 0.29 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3if8 h ARG 280 CO -0.00 1.31 -1.44 0.25 -1.51 0.00 0.00 179.97 178.58 3if8 n THR 281 N -3.59 0.00 -0.99 0.20 -2.24 0.11 -5.01 114.28 102.76 3if8 n THR 281 Ca -0.22 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3if8 n THR 281 Cb 1.08 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 3if8 n THR 281 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3if8 n GLY 282 N 1.78 0.58 2.92 3.38 0.00 0.40 -5.02 105.19 109.23 3if8 n GLY 282 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3if8 n GLY 282 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3if8 s VAL 283 N -2.29 1.71 -0.31 1.61 1.01 -1.23 -5.02 120.40 115.88 3if8 s VAL 283 Ca 0.00 -1.78 -0.12 0.00 0.00 0.00 0.00 61.98 60.07 3if8 s VAL 283 Cb 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3if8 s VAL 283 CO 0.00 -0.48 0.24 -0.89 0.00 0.00 0.00 175.10 173.98 3if8 s THR 284 N 1.23 5.27 -1.33 3.92 2.01 -1.26 -3.93 115.64 121.54 3if8 s THR 284 Ca 0.06 0.04 -0.09 0.00 0.31 0.00 0.00 61.69 62.00 3if8 s THR 284 Cb -0.19 -3.65 0.12 0.00 0.01 0.00 0.00 72.50 68.80 3if8 s THR 284 CO -0.12 0.10 2.10 -0.62 -0.69 0.00 0.00 174.62 175.39 3if8 n GLU 285 N 5.13 3.74 -1.37 4.92 -0.58 -1.26 -4.99 120.64 126.23 3if8 n GLU 285 Ca -0.12 -3.31 -0.44 0.00 -0.42 0.00 0.00 57.16 52.86 3if8 n GLU 285 Cb 0.51 -2.90 -0.01 0.00 -0.57 0.00 0.00 31.44 28.46 3if8 n GLU 285 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 3if8 n TRP 286 N 3.67 -1.18 -3.10 -0.32 7.02 -1.26 -4.96 117.44 117.31 3if8 n TRP 286 Ca 0.49 0.76 -0.28 0.00 -1.02 0.00 0.00 57.50 57.44 3if8 n TRP 286 Cb 0.33 -1.89 -0.02 0.00 -2.42 0.00 0.00 31.31 27.31 3if8 n TRP 286 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3if8 s LEU 287 N 3.39 3.92 0.31 -0.99 1.43 -1.26 -5.05 118.68 120.44 3if8 s LEU 287 Ca 0.62 0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 54.26 3if8 s LEU 287 Cb -0.75 -3.70 -0.12 0.00 0.03 0.00 0.00 46.19 41.66 3if8 s LEU 287 CO 0.60 -0.32 1.54 -0.62 0.23 0.00 0.00 176.35 177.78 3if8 n GLU 288 N -1.33 2.62 -1.64 1.70 1.02 -1.26 -4.97 120.64 116.78 3if8 n GLU 288 Ca -0.01 0.93 -0.32 0.00 -0.02 0.00 0.00 57.16 57.75 3if8 n GLU 288 Cb 0.54 -2.68 0.05 0.00 -0.02 0.00 0.00 31.44 29.33 3if8 n GLU 288 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3if8 s PRO 289 N -0.97 2.90 -0.03 3.49 0.04 -1.26 -4.98 135.00 134.20 3if8 s PRO 289 Ca 0.61 1.08 0.21 0.00 0.04 0.00 0.00 61.00 62.94 3if8 s PRO 289 Cb -0.51 -1.98 -0.32 0.00 0.04 0.00 0.00 34.50 31.74 3if8 s PRO 289 CO 0.53 -1.13 0.48 1.28 0.04 0.00 0.00 177.00 178.19 3if8 n LEU 290 N -2.89 0.05 -4.68 -3.56 4.32 -1.26 -4.98 117.00 104.00 3if8 n LEU 290 Ca 0.08 -0.02 -0.33 0.00 -0.02 0.00 0.00 56.01 55.71 3if8 n LEU 290 Cb 0.53 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.24 3if8 n LEU 290 CO 0.53 0.01 -0.32 -0.70 -1.22 0.00 0.00 177.39 175.69 3if8 s GLU 291 N -3.42 2.86 0.09 3.23 2.56 -1.26 -5.02 118.70 117.74 3if8 s GLU 291 Ca -0.07 -0.54 -0.09 0.00 0.00 0.00 0.00 54.97 54.28 3if8 s GLU 291 Cb 0.13 -2.72 -0.21 0.00 2.00 0.00 0.00 34.13 33.33 3if8 s GLU 291 CO 0.86 0.65 1.19 0.00 -0.56 0.00 0.00 175.26 177.40 3if8 h ALA 292 N 4.63 0.16 -2.91 6.30 0.00 -2.06 -3.44 119.26 121.94 3if8 h ALA 292 Ca -0.50 -0.77 -0.53 0.00 0.00 0.00 0.00 54.91 53.11 3if8 h ALA 292 Cb 1.18 0.04 0.09 0.00 0.00 0.00 0.00 17.79 19.11 3if8 h ALA 292 CO 0.56 0.80 0.65 0.15 0.00 0.00 0.00 179.25 181.41 3if8 s LYS 293 N -3.02 3.91 0.71 0.00 3.01 -1.26 -5.02 119.74 118.07 3if8 s LYS 293 Ca -0.07 2.27 -0.11 0.00 -1.01 0.00 0.00 55.97 57.04 3if8 s LYS 293 Cb 0.07 -2.76 0.02 0.00 -1.01 0.00 0.00 37.83 34.15 3if8 s LYS 293 CO 0.90 -0.58 1.08 -1.54 0.51 0.00 0.00 175.35 175.72 3if8 s SER 294 N -0.61 5.36 0.20 2.83 1.04 -1.26 -4.79 113.70 116.46 3if8 s SER 294 Ca 0.57 1.28 -0.22 0.00 0.48 0.00 0.00 55.95 58.06 3if8 s SER 294 Cb -0.40 -2.11 0.12 0.00 0.10 0.00 0.00 66.02 63.73 3if8 s SER 294 CO 0.52 -1.42 1.55 0.00 0.98 0.00 0.00 173.24 174.88 3if8 h ALA 295 N -0.70 -0.11 -0.70 5.32 0.00 -1.95 -1.46 119.26 119.66 3if8 h ALA 295 Ca -0.45 0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3if8 h ALA 295 Cb 1.24 1.07 -0.04 0.00 0.00 0.00 0.00 17.79 20.06 3if8 h ALA 295 CO 0.62 -0.74 0.46 0.28 0.00 0.00 0.00 179.25 179.86 3if8 h VAL 296 N -0.06 1.17 0.27 0.00 2.07 -1.99 -1.69 116.25 116.02 3if8 h VAL 296 Ca 0.26 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3if8 h VAL 296 Cb 0.55 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3if8 h VAL 296 CO -0.90 0.17 -0.13 -0.33 0.02 0.00 0.00 177.57 176.40 3if8 h GLU 297 N 0.93 -0.35 -1.01 1.57 5.08 -1.72 0.27 114.58 119.36 3if8 h GLU 297 Ca 0.26 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.87 3if8 h GLU 297 Cb -0.10 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.12 3if8 h GLU 297 CO -0.06 -0.17 0.61 -0.07 -1.00 0.00 0.00 179.01 178.33 3if8 h LEU 298 N -0.46 0.68 -0.00 1.33 3.38 -1.14 0.45 115.31 119.54 3if8 h LEU 298 Ca -0.04 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3if8 h LEU 298 Cb 0.35 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 3if8 h LEU 298 CO 0.06 0.17 -0.28 0.58 0.09 0.00 0.00 178.44 179.06 3if8 h VAL 299 N 0.62 1.53 -0.44 1.22 2.07 -0.75 -0.93 116.25 119.57 3if8 h VAL 299 Ca 0.61 -1.95 0.06 0.00 0.82 0.00 0.00 66.70 66.23 3if8 h VAL 299 Cb 1.14 2.75 -0.05 0.00 -1.52 0.00 0.00 31.29 33.60 3if8 h VAL 299 CO -0.41 0.54 0.14 -0.61 0.02 0.00 0.00 177.57 177.25 3if8 h GLN 300 N -0.46 0.30 -0.79 1.57 5.75 0.20 0.99 115.11 122.67 3if8 h GLN 300 Ca -0.03 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3if8 h GLN 300 Cb 1.03 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.47 3if8 h GLN 300 CO 0.06 0.20 0.52 1.49 -2.65 0.00 0.00 178.83 178.44 3if8 h GLU 301 N 0.31 1.02 -0.41 1.69 4.81 -0.17 0.21 114.58 122.04 3if8 h GLU 301 Ca 0.21 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 3if8 h GLU 301 Cb 0.22 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3if8 h GLU 301 CO -0.23 0.67 0.20 0.35 -0.73 0.00 0.00 179.01 179.28 3if8 h PHE 302 N 1.05 0.38 -0.64 0.92 3.57 -0.40 -2.63 116.94 119.18 3if8 h PHE 302 Ca 0.29 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.73 3if8 h PHE 302 Cb -0.10 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 3if8 h PHE 302 CO -0.02 0.19 0.10 -0.07 -2.23 0.00 0.00 178.31 176.29 3if8 h LEU 303 N 0.41 1.02 -0.35 0.59 3.38 0.26 -2.83 115.31 117.79 3if8 h LEU 303 Ca 0.17 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.94 3if8 h LEU 303 Cb 0.08 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3if8 h LEU 303 CO -0.12 1.02 0.02 0.78 0.09 0.00 0.00 178.44 180.23 3if8 h ASN 304 N 0.98 -0.09 -0.27 -0.43 2.35 -0.46 -2.18 115.58 115.48 3if8 h ASN 304 Ca 0.19 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3if8 h ASN 304 Cb 0.44 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 3if8 h ASN 304 CO 0.01 -0.01 0.17 0.44 -1.65 0.00 0.00 177.43 176.39 3if8 h ASP 305 N 0.13 0.32 1.04 5.81 3.45 -1.32 -2.24 116.42 123.61 3if8 h ASP 305 Ca 0.17 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.62 3if8 h ASP 305 Cb 0.22 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 3if8 h ASP 305 CO -0.26 0.25 -0.30 0.18 -1.57 0.00 0.00 179.24 177.54 3if8 n LEU 306 N -4.48 0.60 0.03 1.55 4.77 -0.86 -3.76 117.00 114.84 3if8 n LEU 306 Ca 0.01 0.36 -0.22 0.00 -0.03 0.00 0.00 56.01 56.13 3if8 n LEU 306 Cb 0.08 -0.29 -0.14 0.00 -2.33 0.00 0.00 43.42 40.74 3if8 n LEU 306 CO 0.35 -0.06 -0.48 -1.13 -1.33 0.00 0.00 177.39 174.74 3if8 h ASN 307 N 0.00 0.45 -0.09 -1.43 -1.24 -0.91 -3.39 115.58 108.97 3if8 h ASN 307 Ca 0.00 -0.88 -0.00 0.00 0.71 0.00 0.00 56.30 56.13 3if8 h ASN 307 Cb 0.67 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.58 3if8 h ASN 307 CO 0.00 1.68 0.09 0.29 -1.29 0.00 0.00 177.43 178.20 3if8 n LYS 308 N -3.81 0.11 -0.29 6.67 4.01 -0.98 -5.13 118.16 118.74 3if8 n LYS 308 Ca -0.25 -1.52 0.00 0.00 -0.51 0.00 0.00 58.31 56.03 3if8 n LYS 308 Cb 0.96 -3.70 0.00 0.00 -0.51 0.00 0.00 35.03 31.77 3if8 n LYS 308 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57