#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3if0 s ASN 2 N 0.00 5.40 -0.22 7.83 0.01 -1.26 -1.67 114.94 125.03 3if0 s ASN 2 Ca 0.00 -0.41 -0.08 0.00 -0.71 0.00 0.00 52.86 51.66 3if0 s ASN 2 Cb 0.00 -1.97 -0.04 0.00 0.41 0.00 0.00 41.25 39.65 3if0 s ASN 2 CO 0.00 -0.13 0.09 -0.76 -1.51 0.00 0.00 177.10 174.79 3if0 s LEU 3 N 1.61 3.75 -1.29 0.60 1.43 -0.28 -4.85 118.68 119.64 3if0 s LEU 3 Ca 0.05 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 3if0 s LEU 3 Cb -0.16 -1.98 0.15 0.00 0.03 0.00 0.00 46.19 44.22 3if0 s LEU 3 CO 0.05 0.07 1.85 0.54 0.23 0.00 0.00 176.35 179.09 3if0 n ARG 4 N 4.25 3.48 -3.76 1.70 5.12 -1.26 0.40 116.66 126.60 3if0 n ARG 4 Ca -0.16 -3.45 -0.13 0.00 -1.93 0.00 0.00 57.85 52.18 3if0 n ARG 4 Cb 0.52 -3.00 -0.11 0.00 -1.16 0.00 0.00 32.46 28.71 3if0 n ARG 4 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 3if0 s ILE 5 N 0.99 -0.01 0.42 0.55 2.07 -1.26 -5.05 121.20 118.91 3if0 s ILE 5 Ca 0.41 0.03 -0.25 0.00 -1.41 0.00 0.00 60.65 59.44 3if0 s ILE 5 Cb 0.08 -0.44 -0.10 0.00 0.13 0.00 0.00 42.46 42.13 3if0 s ILE 5 CO -0.01 0.01 1.05 -2.65 -1.91 0.00 0.00 174.94 171.44 3if0 n PRO 6 N 3.22 1.44 -0.36 3.50 -0.02 -1.26 -4.59 135.00 136.93 3if0 n PRO 6 Ca -0.16 0.51 0.01 0.00 -2.02 0.00 0.00 63.50 61.85 3if0 n PRO 6 Cb 0.57 -2.09 0.16 0.00 -0.02 0.00 0.00 33.50 32.12 3if0 n PRO 6 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3if0 h TRP 7 N 1.63 1.20 0.00 6.00 7.01 -1.98 -1.84 115.95 127.98 3if0 h TRP 7 Ca -0.45 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.56 3if0 h TRP 7 Cb 1.33 -0.40 -0.00 0.00 -2.10 0.00 0.00 29.16 27.99 3if0 h TRP 7 CO 0.44 0.68 -0.10 1.57 -2.79 0.00 0.00 178.44 178.24 3if0 h LYS 8 N 1.23 0.00 -0.00 2.65 2.10 -1.94 -1.70 116.57 118.90 3if0 h LYS 8 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 3if0 h LYS 8 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 3if0 h LYS 8 CO -0.13 0.10 -0.13 0.39 -2.00 0.00 0.00 179.45 177.68 3if0 n GLU 9 N -3.36 0.02 -0.96 0.07 1.02 -0.69 -2.22 120.64 114.52 3if0 n GLU 9 Ca -0.01 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.03 3if0 n GLU 9 Cb 0.29 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.40 3if0 n GLU 9 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3if0 n VAL 10 N -1.48 2.72 -1.08 2.62 0.24 -0.90 -4.95 118.33 115.49 3if0 n VAL 10 Ca 0.07 -2.67 -0.03 0.00 -2.04 0.00 0.00 64.34 59.67 3if0 n VAL 10 Cb 0.34 -0.41 -0.01 0.00 -1.47 0.00 0.00 33.84 32.29 3if0 n VAL 10 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3if0 n TYR 11 N -1.11 0.00 -1.99 6.34 4.01 -0.94 -1.68 117.16 121.79 3if0 n TYR 11 Ca 0.40 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 58.03 3if0 n TYR 11 Cb 1.15 -1.77 -0.01 0.00 -0.31 0.00 0.00 39.34 38.39 3if0 n TYR 11 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3if0 n TYR 12 N -2.28 -0.38 -2.46 -0.72 4.01 -0.69 -4.79 117.16 109.85 3if0 n TYR 12 Ca -0.03 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.40 3if0 n TYR 12 Cb 0.41 -2.39 -0.02 0.00 -0.31 0.00 0.00 39.34 37.03 3if0 n TYR 12 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3if0 s LEU 13 N -2.89 3.61 0.00 7.72 1.43 -0.68 -4.70 118.68 123.18 3if0 s LEU 13 Ca 0.00 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 3if0 s LEU 13 Cb 0.00 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.92 3if0 s LEU 13 CO 0.00 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 176.61 3if0 n GLY 14 N -1.76 -2.00 3.46 -3.19 0.00 -1.26 -4.82 105.19 95.62 3if0 n GLY 14 Ca 0.05 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 3if0 n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3if0 s TYR 15 N 0.00 2.95 -0.57 1.61 2.02 0.19 -4.88 117.35 118.67 3if0 s TYR 15 Ca 0.00 -0.40 -0.28 0.00 -0.37 0.00 0.00 57.07 56.02 3if0 s TYR 15 Cb 0.00 -1.91 0.01 0.00 -0.40 0.00 0.00 41.96 39.66 3if0 s TYR 15 CO 0.00 -0.08 1.42 1.21 -1.57 0.00 0.00 175.55 176.53 3if0 s ASN 16 N 0.31 6.11 -0.11 2.29 3.04 -1.26 -0.45 114.94 124.87 3if0 s ASN 16 Ca -0.06 0.27 0.12 0.00 0.04 0.00 0.00 52.86 53.23 3if0 s ASN 16 Cb -0.15 -2.55 0.54 0.00 -1.54 0.00 0.00 41.25 37.56 3if0 s ASN 16 CO 0.04 -1.73 1.39 0.23 -3.04 0.00 0.00 177.10 173.99 3if0 n MET 17 N 8.70 3.20 0.00 0.43 2.81 0.51 -4.97 117.12 127.79 3if0 n MET 17 Ca 0.12 -2.11 0.00 0.00 -1.81 0.00 0.00 57.70 53.91 3if0 n MET 17 Cb 0.49 -1.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 3if0 n MET 17 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3if0 n GLY 18 N 0.78 1.98 0.59 3.03 0.00 -1.26 -4.20 105.19 106.10 3if0 n GLY 18 Ca 0.19 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3if0 n GLY 18 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3if0 n ASN 19 N 3.91 2.04 -3.53 1.61 2.04 -1.26 -4.95 115.26 115.12 3if0 n ASN 19 Ca 0.00 -1.54 -0.09 0.00 -0.44 0.00 0.00 54.58 52.51 3if0 n ASN 19 Cb 0.00 0.19 -0.02 0.00 -2.53 0.00 0.00 39.78 37.42 3if0 n ASN 19 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 3if0 s TYR 20 N -2.25 -0.36 -0.33 -2.53 -0.85 -1.26 -4.60 117.35 105.16 3if0 s TYR 20 Ca 0.26 0.17 -0.13 0.00 -0.52 0.00 0.00 57.07 56.86 3if0 s TYR 20 Cb 0.19 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 43.08 3if0 s TYR 20 CO 0.44 -0.68 0.23 0.42 -1.52 0.00 0.00 175.55 174.44 3if0 s ILE 21 N -3.32 5.25 -0.51 -3.49 -1.09 0.16 -0.37 121.20 117.83 3if0 s ILE 21 Ca 0.05 -0.19 -0.29 0.00 -2.23 0.00 0.00 60.65 57.99 3if0 s ILE 21 Cb -0.01 -3.68 0.03 0.00 -1.58 0.00 0.00 42.46 37.22 3if0 s ILE 21 CO -0.08 0.02 1.21 -0.75 -1.23 0.00 0.00 174.94 174.11 3if0 s LYS 22 N 1.72 3.60 0.03 2.79 2.20 0.40 -1.13 119.74 129.35 3if0 s LYS 22 Ca 0.06 0.49 0.08 0.00 -0.36 0.00 0.00 55.97 56.24 3if0 s LYS 22 Cb -0.17 -3.98 -0.02 0.00 -1.51 0.00 0.00 37.83 32.15 3if0 s LYS 22 CO 0.10 -1.56 -0.23 -1.50 -0.36 0.00 0.00 175.35 171.81 3if0 s ILE 23 N 4.89 1.82 0.72 5.43 2.07 -0.67 0.57 121.20 136.03 3if0 s ILE 23 Ca 0.48 -1.19 -0.11 0.00 -1.41 0.00 0.00 60.65 58.42 3if0 s ILE 23 Cb -0.08 -1.55 0.02 0.00 0.13 0.00 0.00 42.46 40.98 3if0 s ILE 23 CO 0.29 0.32 1.10 -0.94 -1.91 0.00 0.00 174.94 173.81 3if0 s SER 24 N -1.03 5.33 0.16 4.50 1.04 -1.26 -4.79 113.70 117.65 3if0 s SER 24 Ca 0.09 1.08 -0.13 0.00 0.48 0.00 0.00 55.95 57.46 3if0 s SER 24 Cb -0.09 -1.84 0.05 0.00 0.10 0.00 0.00 66.02 64.24 3if0 s SER 24 CO 0.01 -1.41 1.71 -0.33 0.98 0.00 0.00 173.24 174.20 3if0 h GLU 25 N -0.69 0.80 -0.17 4.02 3.07 -1.97 0.12 114.58 119.76 3if0 h GLU 25 Ca -0.45 -0.15 -0.14 0.00 -0.50 0.00 0.00 59.36 58.12 3if0 h GLU 25 Cb 1.26 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 3if0 h GLU 25 CO 0.64 0.71 -0.49 -1.00 -1.40 0.00 0.00 179.01 177.47 3if0 h PRO 26 N 0.72 0.45 -0.23 2.33 0.13 -1.91 0.40 132.00 133.90 3if0 h PRO 26 Ca 0.18 -0.26 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 3if0 h PRO 26 Cb 0.21 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 3if0 h PRO 26 CO -0.01 0.85 -0.01 0.93 -0.23 0.00 0.00 178.00 179.53 3if0 h GLU 27 N 0.36 0.41 -0.84 0.86 5.08 -1.90 -2.58 114.58 115.96 3if0 h GLU 27 Ca 0.02 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3if0 h GLU 27 Cb 1.00 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 3if0 h GLU 27 CO 0.09 0.60 0.44 1.25 -1.00 0.00 0.00 179.01 180.39 3if0 h LEU 28 N 0.17 1.07 -0.63 1.33 5.85 -0.44 -1.52 115.31 121.14 3if0 h LEU 28 Ca 0.06 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.73 3if0 h LEU 28 Cb 0.42 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3if0 h LEU 28 CO 0.01 0.88 0.35 0.25 -0.34 0.00 0.00 178.44 179.59 3if0 h LEU 29 N 1.19 0.52 -0.70 2.25 5.85 -0.13 -0.07 115.31 124.22 3if0 h LEU 29 Ca 0.29 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.07 3if0 h LEU 29 Cb 0.07 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3if0 h LEU 29 CO -0.04 0.34 0.44 0.15 -0.34 0.00 0.00 178.44 178.99 3if0 h PHE 30 N 0.65 0.82 -0.57 1.25 3.57 -0.97 -2.58 116.94 119.11 3if0 h PHE 30 Ca 0.28 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 3if0 h PHE 30 Cb 0.16 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3if0 h PHE 30 CO -0.08 0.47 0.28 0.28 -2.23 0.00 0.00 178.31 177.04 3if0 h VAL 31 N 0.86 1.20 -0.43 1.41 2.07 -0.13 -2.27 116.25 118.97 3if0 h VAL 31 Ca 0.28 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.29 3if0 h VAL 31 Cb 0.01 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 3if0 h VAL 31 CO -0.10 0.23 0.16 -0.07 0.02 0.00 0.00 177.57 177.80 3if0 h LEU 32 N 0.78 0.17 -0.12 2.57 3.38 -0.86 0.45 115.31 121.68 3if0 h LEU 32 Ca 0.20 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3if0 h LEU 32 Cb 0.10 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3if0 h LEU 32 CO -0.03 0.13 0.00 0.54 0.09 0.00 0.00 178.44 179.18 3if0 n ARG 33 N -5.00 0.20 -0.00 1.13 1.74 -0.99 -3.48 116.66 110.25 3if0 n ARG 33 Ca 0.03 0.22 0.06 0.00 -0.77 0.00 0.00 57.85 57.38 3if0 n ARG 33 Cb 0.15 -1.75 -0.09 0.00 -1.02 0.00 0.00 32.46 29.75 3if0 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3if0 n ASN 34 N -2.10 2.12 -3.87 0.55 3.02 -0.88 -4.74 115.26 109.36 3if0 n ASN 34 Ca 0.05 -0.09 -0.29 0.00 -0.03 0.00 0.00 54.58 54.23 3if0 n ASN 34 Cb 0.37 1.48 -0.13 0.00 -0.61 0.00 0.00 39.78 40.89 3if0 n ASN 34 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3if0 s LYS 35 N -2.73 2.11 0.37 3.52 1.02 0.15 -4.95 119.74 119.23 3if0 s LYS 35 Ca -0.03 -2.92 0.07 0.00 0.02 0.00 0.00 55.97 53.10 3if0 s LYS 35 Cb 0.08 -3.18 0.73 0.00 -0.52 0.00 0.00 37.83 34.93 3if0 s LYS 35 CO 0.49 -1.22 1.92 -1.00 -0.92 0.00 0.00 175.35 174.61 3if0 h PRO 36 N 5.89 0.38 0.00 -1.68 0.13 -1.82 -1.75 132.00 133.15 3if0 h PRO 36 Ca 0.06 -0.08 -0.10 0.00 -0.87 0.00 0.00 66.00 65.01 3if0 h PRO 36 Cb 0.82 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 3if0 h PRO 36 CO 0.67 0.44 -0.50 1.96 -0.23 0.00 0.00 178.00 180.34 3if0 h GLN 37 N 0.37 0.00 0.00 0.86 7.50 -1.92 -1.33 115.11 120.59 3if0 h GLN 37 Ca 0.08 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.14 3if0 h GLN 37 Cb 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.82 3if0 h GLN 37 CO 0.01 0.50 -0.42 0.82 -1.50 0.00 0.00 178.83 178.24 3if0 h ILE 38 N 0.00 0.80 0.00 2.54 2.04 -1.74 -2.32 117.51 118.83 3if0 h ILE 38 Ca -0.00 -1.85 -0.02 0.00 1.00 0.00 0.00 64.86 63.99 3if0 h ILE 38 Cb 0.89 2.19 -0.00 0.00 -0.74 0.00 0.00 36.82 39.16 3if0 h ILE 38 CO 0.06 0.41 -0.08 0.50 0.00 0.00 0.00 178.15 179.05 3if0 h LYS 39 N 0.00 0.00 0.01 2.37 3.64 -0.41 -2.37 116.57 119.81 3if0 h LYS 39 Ca -0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.04 3if0 h LYS 39 Cb 1.16 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 3if0 h LYS 39 CO 0.05 0.08 -1.83 -0.25 -2.27 0.00 0.00 179.45 175.23 3if0 n ASP 40 N -3.94 1.93 0.00 4.20 8.00 -1.19 0.47 116.55 126.02 3if0 n ASP 40 Ca -0.02 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.81 3if0 n ASP 40 Cb 0.17 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 3if0 n ASP 40 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3if0 n ARG 41 N -4.19 0.00 0.00 -1.24 0.63 -0.88 -0.15 116.66 110.83 3if0 n ARG 41 Ca -0.40 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.53 3if0 n ARG 41 Cb 0.81 -1.34 0.00 0.00 0.45 0.00 0.00 32.46 32.38 3if0 n ARG 41 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3if0 n LEU 42 N -0.70 0.00 -3.20 6.15 4.32 -0.90 -5.04 117.00 117.63 3if0 n LEU 42 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.77 3if0 n LEU 42 Cb 0.00 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 3if0 n LEU 42 CO 0.00 0.00 -0.04 0.29 -1.22 0.00 0.00 177.39 176.42 3if0 n LYS 43 N -0.73 -3.72 -4.15 3.23 5.02 0.18 -4.98 118.16 113.00 3if0 n LYS 43 Ca 0.00 0.60 -0.23 0.00 -2.02 0.00 0.00 58.31 56.66 3if0 n LYS 43 Cb 0.08 -5.35 -0.05 0.00 -0.02 0.00 0.00 35.03 29.69 3if0 n LYS 43 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 3if0 s LEU 44 N -6.48 3.65 -0.03 -0.35 2.34 -1.18 -5.02 118.68 111.62 3if0 s LEU 44 Ca 0.34 -0.32 0.00 0.00 0.06 0.00 0.00 54.13 54.22 3if0 s LEU 44 Cb -0.17 -2.20 -0.04 0.00 -0.56 0.00 0.00 46.19 43.22 3if0 s LEU 44 CO 0.42 -0.00 0.01 -1.81 -1.06 0.00 0.00 176.35 173.91 3if0 s ASP 45 N -3.60 5.22 0.00 1.48 1.01 -1.26 -4.89 116.67 114.63 3if0 s ASP 45 Ca 0.32 0.05 0.26 0.00 0.71 0.00 0.00 52.55 53.89 3if0 s ASP 45 Cb -0.08 -1.41 1.54 0.00 1.01 0.00 0.00 42.92 43.98 3if0 s ASP 45 CO 0.23 0.31 1.91 -1.84 0.21 0.00 0.00 175.17 175.98 3if0 n GLU 46 N 1.58 0.83 -0.02 8.23 0.28 -1.26 -1.63 120.64 128.64 3if0 n GLU 46 Ca -0.15 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.69 3if0 n GLU 46 Cb 0.53 -1.49 -0.10 0.00 1.43 0.00 0.00 31.44 31.81 3if0 n GLU 46 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 3if0 h LYS 47 N 0.00 0.30 -0.19 3.44 -0.00 -1.98 -2.97 116.57 115.17 3if0 h LYS 47 Ca 0.00 -0.27 -0.22 0.00 -0.00 0.00 0.00 60.65 60.16 3if0 h LYS 47 Cb 0.00 0.06 0.01 0.00 -0.00 0.00 0.00 32.23 32.30 3if0 h LYS 47 CO 0.00 0.94 -0.73 1.15 -0.00 0.00 0.00 179.45 180.81 3if0 h THR 48 N -0.24 1.27 -0.14 0.07 2.02 -1.72 -1.07 112.91 113.12 3if0 h THR 48 Ca -0.03 -1.92 -0.12 0.00 0.77 0.00 0.00 66.41 65.12 3if0 h THR 48 Cb 1.02 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 3if0 h THR 48 CO 0.07 0.61 -0.38 -0.29 0.37 0.00 0.00 175.52 175.90 3if0 h ILE 49 N 0.58 1.36 -0.46 3.11 2.10 -1.59 -2.02 117.51 120.60 3if0 h ILE 49 Ca -0.04 -1.67 0.09 0.00 1.08 0.00 0.00 64.86 64.32 3if0 h ILE 49 Cb 1.35 2.07 -0.08 0.00 -1.09 0.00 0.00 36.82 39.07 3if0 h ILE 49 CO 0.15 0.50 -0.05 0.40 -1.08 0.00 0.00 178.15 178.07 3if0 h ILE 50 N 0.11 0.60 -0.87 2.19 2.04 -1.58 0.17 117.51 120.16 3if0 h ILE 50 Ca -0.01 -0.02 0.11 0.00 1.00 0.00 0.00 64.86 65.94 3if0 h ILE 50 Cb 1.00 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 37.53 3if0 h ILE 50 CO 0.08 0.01 0.51 0.50 0.00 0.00 0.00 178.15 179.25 3if0 h LYS 51 N 0.06 0.78 0.00 2.37 3.64 -1.00 -1.78 116.57 120.65 3if0 h LYS 51 Ca 0.23 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 3if0 h LYS 51 Cb 0.34 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3if0 h LYS 51 CO -0.42 0.52 -0.97 1.05 -2.27 0.00 0.00 179.45 177.36 3if0 h GLU 52 N 0.81 0.00 -0.06 1.90 4.11 -0.97 -3.17 114.58 117.20 3if0 h GLU 52 Ca 0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.86 3if0 h GLU 52 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3if0 h GLU 52 CO -0.28 0.34 0.01 0.78 0.07 0.00 0.00 179.01 179.93 3if0 h GLY 53 N 3.66 0.10 1.40 1.06 0.00 -0.02 -2.22 103.07 107.06 3if0 h GLY 53 Ca -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3if0 h GLY 53 CO 0.05 0.06 0.29 -0.39 0.00 0.00 0.00 176.54 176.55 3if0 h VAL 54 N -0.13 1.18 0.00 4.60 -1.51 -1.46 0.13 116.25 119.05 3if0 h VAL 54 Ca 0.02 -0.49 -0.04 0.00 -1.23 0.00 0.00 66.70 64.97 3if0 h VAL 54 Cb 0.26 0.44 -0.01 0.00 -2.13 0.00 0.00 31.29 29.85 3if0 h VAL 54 CO 0.00 0.21 -0.17 0.11 -1.23 0.00 0.00 177.57 176.49 3if0 h LYS 55 N 0.79 0.00 0.04 5.19 1.57 -1.48 -3.29 116.57 119.40 3if0 h LYS 55 Ca 0.20 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.61 3if0 h LYS 55 Cb 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 3if0 h LYS 55 CO -0.03 0.17 -2.24 1.17 -0.57 0.00 0.00 179.45 177.95 3if0 n LYS 56 N -4.21 0.69 -4.35 3.15 0.00 0.01 -4.89 118.16 108.56 3if0 n LYS 56 Ca -0.02 0.18 -0.30 0.00 0.00 0.00 0.00 58.31 58.17 3if0 n LYS 56 Cb 0.24 -1.61 -0.17 0.00 0.00 0.00 0.00 35.03 33.50 3if0 n LYS 56 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3if0 s TYR 57 N -2.54 2.20 0.50 5.64 2.02 0.24 -4.98 117.35 120.42 3if0 s TYR 57 Ca -0.26 -1.12 0.19 0.00 -0.37 0.00 0.00 57.07 55.51 3if0 s TYR 57 Cb 0.08 -1.57 1.24 0.00 -0.40 0.00 0.00 41.96 41.31 3if0 s TYR 57 CO 0.70 -0.58 2.04 -0.22 -1.57 0.00 0.00 175.55 175.92 3if0 h LYS 58 N 7.61 0.13 -0.76 -0.62 3.64 -1.86 -2.40 116.57 122.31 3if0 h LYS 58 Ca -0.34 -0.01 -0.45 0.00 -1.27 0.00 0.00 60.65 58.58 3if0 h LYS 58 Cb 1.16 -0.03 -0.25 0.00 -0.41 0.00 0.00 32.23 32.70 3if0 h LYS 58 CO 0.52 0.08 0.31 0.27 -2.27 0.00 0.00 179.45 178.36 3if0 n ASN 59 N -4.45 4.36 -0.16 4.20 6.94 -1.26 -4.77 115.26 120.11 3if0 n ASN 59 Ca 0.06 -3.73 -0.10 0.00 -0.02 0.00 0.00 54.58 50.79 3if0 n ASN 59 Cb 0.38 -0.75 -0.04 0.00 -2.36 0.00 0.00 39.78 37.00 3if0 n ASN 59 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 3if0 h PHE 60 N 1.36 -1.29 -0.80 -2.53 3.57 -1.72 -0.46 116.94 115.07 3if0 h PHE 60 Ca 0.47 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 62.01 3if0 h PHE 60 Cb 1.86 0.63 -0.04 0.00 2.79 0.00 0.00 35.95 41.20 3if0 h PHE 60 CO 1.31 -0.44 0.38 -1.49 -2.23 0.00 0.00 178.31 175.84 3if0 h TRP 61 N -0.29 1.15 -0.53 0.41 4.06 -1.88 0.34 115.95 119.21 3if0 h TRP 61 Ca 0.15 -0.06 -0.03 0.00 2.06 0.00 0.00 58.89 61.01 3if0 h TRP 61 Cb 0.57 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 3if0 h TRP 61 CO -0.67 0.84 0.21 0.93 -3.56 0.00 0.00 178.44 176.19 3if0 h GLU 62 N 1.14 0.80 0.18 0.49 3.07 -1.73 0.74 114.58 119.28 3if0 h GLU 62 Ca 0.27 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3if0 h GLU 62 Cb 0.12 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 3if0 h GLU 62 CO -0.03 0.71 -0.17 0.82 -1.40 0.00 0.00 179.01 178.94 3if0 h ILE 63 N 0.73 0.63 -0.12 3.13 2.04 -0.54 -1.86 117.51 121.51 3if0 h ILE 63 Ca 0.18 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.08 3if0 h ILE 63 Cb 0.21 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 3if0 h ILE 63 CO -0.01 0.00 -0.28 0.22 0.00 0.00 0.00 178.15 178.08 3if0 h TYR 64 N -0.38 -0.75 -0.39 1.37 3.20 -0.61 0.15 116.97 119.56 3if0 h TYR 64 Ca -0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3if0 h TYR 64 Cb 0.35 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 3if0 h TYR 64 CO -0.13 -0.36 0.08 1.88 -1.64 0.00 0.00 178.16 177.99 3if0 h TYR 65 N -0.35 0.59 -0.08 -3.82 0.05 -0.87 0.89 116.97 113.39 3if0 h TYR 65 Ca 0.10 -0.04 -0.12 0.00 0.05 0.00 0.00 58.73 58.71 3if0 h TYR 65 Cb 0.50 -0.18 0.01 0.00 1.01 0.00 0.00 36.73 38.07 3if0 h TYR 65 CO -0.36 0.52 -0.43 1.15 -1.05 0.00 0.00 178.16 177.99 3if0 h THR 66 N 0.57 1.40 -0.60 -2.88 2.02 -0.92 -0.74 112.91 111.77 3if0 h THR 66 Ca 0.13 -1.81 0.10 0.00 0.77 0.00 0.00 66.41 65.60 3if0 h THR 66 Cb 0.24 2.30 -0.08 0.00 -1.74 0.00 0.00 68.15 68.87 3if0 h THR 66 CO -0.00 0.53 0.19 0.58 0.37 0.00 0.00 175.52 177.19 3if0 h VAL 67 N -0.03 0.73 0.13 3.16 2.07 -0.45 -0.99 116.25 120.86 3if0 h VAL 67 Ca -0.03 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3if0 h VAL 67 Cb 1.09 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3if0 h VAL 67 CO 0.09 0.06 -0.06 0.50 0.02 0.00 0.00 177.57 178.18 3if0 h LYS 68 N 0.35 -0.17 -0.53 1.57 3.64 -0.73 0.12 116.57 120.83 3if0 h LYS 68 Ca 0.30 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.72 3if0 h LYS 68 Cb 0.40 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 3if0 h LYS 68 CO -0.33 -0.02 0.32 0.22 -2.27 0.00 0.00 179.45 177.37 3if0 h ASP 69 N -0.28 0.52 -0.41 4.20 3.58 -0.93 -0.46 116.42 122.64 3if0 h ASP 69 Ca -0.02 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.31 3if0 h ASP 69 Cb 0.22 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 3if0 h ASP 69 CO 0.03 0.37 -0.22 -0.07 -2.88 0.00 0.00 179.24 176.47 3if0 h LEU 70 N 0.64 0.90 -0.27 2.28 4.07 -0.87 -0.52 115.31 121.56 3if0 h LEU 70 Ca 0.21 -0.41 -0.10 0.00 0.08 0.00 0.00 57.88 57.66 3if0 h LEU 70 Cb 0.01 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.50 3if0 h LEU 70 CO -0.09 1.12 -0.23 0.40 -1.08 0.00 0.00 178.44 178.56 3if0 h ILE 71 N 0.69 1.31 -0.24 1.22 1.08 -0.57 -0.64 117.51 120.35 3if0 h ILE 71 Ca 0.09 -1.38 -0.06 0.00 -0.39 0.00 0.00 64.86 63.13 3if0 h ILE 71 Cb 0.79 1.60 -0.01 0.00 -3.07 0.00 0.00 36.82 36.13 3if0 h ILE 71 CO 0.06 0.43 -0.09 -0.07 -0.69 0.00 0.00 178.15 177.80 3if0 h LEU 72 N 0.35 0.37 -0.33 1.44 3.38 -1.02 0.31 115.31 119.80 3if0 h LEU 72 Ca 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3if0 h LEU 72 Cb 0.78 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3if0 h LEU 72 CO 0.06 0.50 0.00 0.54 0.09 0.00 0.00 178.44 179.63 3if0 n ARG 73 N -4.26 0.06 -0.03 1.13 1.74 -0.21 -4.86 116.66 110.24 3if0 n ARG 73 Ca 0.00 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 3if0 n ARG 73 Cb 0.28 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3if0 n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3if0 n GLY 74 N -0.50 0.50 3.81 -0.13 0.00 0.10 -5.07 105.19 103.89 3if0 n GLY 74 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3if0 n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3if0 s TYR 75 N -2.05 2.92 -0.13 1.61 2.02 -0.28 -4.36 117.35 117.08 3if0 s TYR 75 Ca 0.00 1.27 -0.02 0.00 -0.37 0.00 0.00 57.07 57.95 3if0 s TYR 75 Cb 0.00 -3.03 -0.02 0.00 -0.40 0.00 0.00 41.96 38.51 3if0 s TYR 75 CO 0.00 -1.58 -0.07 1.03 -1.57 0.00 0.00 175.55 173.36 3if0 s ARG 76 N -5.10 3.36 0.12 -0.62 1.81 -1.07 -4.27 118.95 113.19 3if0 s ARG 76 Ca 0.60 -0.57 0.01 0.00 -1.72 0.00 0.00 55.73 54.04 3if0 s ARG 76 Cb -0.14 -2.75 -0.04 0.00 -0.45 0.00 0.00 34.95 31.56 3if0 s ARG 76 CO 0.55 0.34 -0.01 0.14 -0.68 0.00 0.00 175.30 175.64 3if0 s VAL 77 N 0.06 0.47 -0.13 3.52 -7.23 -1.26 -0.51 120.40 115.32 3if0 s VAL 77 Ca -0.02 -1.92 -0.06 0.00 -1.81 0.00 0.00 61.98 58.16 3if0 s VAL 77 Cb -0.14 -1.90 0.06 0.00 0.56 0.00 0.00 36.38 34.96 3if0 s VAL 77 CO 0.03 -0.66 0.30 -0.60 -0.31 0.00 0.00 175.10 173.87 3if0 s ARG 78 N -3.93 0.25 -0.20 4.82 3.52 -0.84 -4.31 118.95 118.27 3if0 s ARG 78 Ca 0.18 0.67 -0.29 0.00 -0.13 0.00 0.00 55.73 56.16 3if0 s ARG 78 Cb 0.07 -0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 3if0 s ARG 78 CO -0.01 -0.19 1.04 0.12 -0.81 0.00 0.00 175.30 175.45 3if0 s PHE 79 N 1.59 3.36 -2.31 5.12 5.36 -1.26 -0.30 117.98 129.55 3if0 s PHE 79 Ca -0.07 1.48 0.22 0.00 -0.96 0.00 0.00 56.93 57.61 3if0 s PHE 79 Cb -0.10 -3.26 0.84 0.00 -0.34 0.00 0.00 43.02 40.16 3if0 s PHE 79 CO -0.10 -0.46 1.60 -0.40 -1.46 0.00 0.00 175.22 174.40 3if0 n ASP 80 N 6.02 1.55 0.00 6.13 3.85 0.95 -4.88 116.55 130.18 3if0 n ASP 80 Ca 0.11 -1.64 0.00 0.00 -0.71 0.00 0.00 54.79 52.55 3if0 n ASP 80 Cb 0.47 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 40.16 3if0 n ASP 80 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3if0 n GLY 81 N 1.13 3.18 1.77 6.12 0.00 -1.26 -4.77 105.19 111.37 3if0 n GLY 81 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3if0 n GLY 81 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3if0 n PHE 82 N -1.50 -0.64 -3.41 1.61 7.35 -1.26 -5.09 117.46 114.52 3if0 n PHE 82 Ca 0.00 0.11 -0.31 0.00 -0.76 0.00 0.00 57.45 56.49 3if0 n PHE 82 Cb 0.00 0.41 -0.05 0.00 0.35 0.00 0.00 39.48 40.19 3if0 n PHE 82 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 3if0 s PHE 83 N -1.31 3.44 -0.20 -5.13 0.08 -1.26 -4.79 117.98 108.80 3if0 s PHE 83 Ca 0.00 0.82 -0.24 0.00 0.12 0.00 0.00 56.93 57.64 3if0 s PHE 83 Cb 0.00 -2.23 -0.01 0.00 -0.57 0.00 0.00 43.02 40.21 3if0 s PHE 83 CO 0.00 0.26 0.77 0.42 -0.10 0.00 0.00 175.22 176.57 3if0 s ILE 84 N -1.86 4.91 -0.23 0.64 1.01 0.11 -0.03 121.20 125.74 3if0 s ILE 84 Ca 0.47 1.47 -0.29 0.00 0.00 0.00 0.00 60.65 62.30 3if0 s ILE 84 Cb -0.11 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.29 3if0 s ILE 84 CO 0.23 0.02 1.06 -1.61 0.00 0.00 0.00 174.94 174.64 3if0 s GLU 85 N 2.33 4.25 -0.23 2.79 2.02 0.59 -0.16 118.70 130.28 3if0 s GLU 85 Ca 0.34 1.37 -0.08 0.00 0.02 0.00 0.00 54.97 56.63 3if0 s GLU 85 Cb -0.16 -3.66 -0.03 0.00 0.10 0.00 0.00 34.13 30.38 3if0 s GLU 85 CO 0.10 -0.65 0.08 -1.17 0.02 0.00 0.00 175.26 173.63 3if0 s LEU 86 N 3.26 3.58 0.17 1.80 2.96 0.58 -1.98 118.68 129.05 3if0 s LEU 86 Ca 0.45 -0.11 0.10 0.00 -0.22 0.00 0.00 54.13 54.34 3if0 s LEU 86 Cb -0.15 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3if0 s LEU 86 CO 0.07 0.02 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.66 3if0 s TYR 87 N 1.28 2.51 0.86 5.38 2.02 0.34 -0.29 117.35 129.44 3if0 s TYR 87 Ca 0.05 -0.27 -0.13 0.00 -0.37 0.00 0.00 57.07 56.34 3if0 s TYR 87 Cb -0.15 -1.25 0.05 0.00 -0.40 0.00 0.00 41.96 40.21 3if0 s TYR 87 CO 0.04 0.48 0.73 -1.91 -1.57 0.00 0.00 175.55 173.32 3if0 n GLU 88 N 0.26 -0.06 -1.74 -0.62 4.07 -1.26 -2.60 120.64 118.69 3if0 n GLU 88 Ca -0.12 0.04 -0.40 0.00 -0.06 0.00 0.00 57.16 56.62 3if0 n GLU 88 Cb 0.55 -2.07 0.02 0.00 -0.06 0.00 0.00 31.44 29.88 3if0 n GLU 88 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3if0 n LYS 89 N -2.22 2.12 0.00 5.31 5.02 -1.26 -2.45 118.16 124.69 3if0 n LYS 89 Ca 0.10 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 3if0 n LYS 89 Cb 0.52 -2.53 0.00 0.00 -0.02 0.00 0.00 35.03 32.99 3if0 n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3if0 n GLY 90 N 0.67 2.50 3.82 0.72 0.00 -1.26 -5.00 105.19 106.64 3if0 n GLY 90 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3if0 n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3if0 s ILE 91 N -2.52 4.63 -0.20 -0.61 1.09 -1.02 -5.05 121.20 117.52 3if0 s ILE 91 Ca 0.00 1.23 -0.16 0.00 -1.10 0.00 0.00 60.65 60.63 3if0 s ILE 91 Cb 0.00 -3.87 -0.04 0.00 -1.06 0.00 0.00 42.46 37.49 3if0 s ILE 91 CO 0.00 0.32 0.38 -0.63 -0.10 0.00 0.00 174.94 174.91 3if0 s ILE 92 N -1.39 5.21 0.47 2.92 1.01 -1.26 -4.75 121.20 123.40 3if0 s ILE 92 Ca 0.39 0.69 -0.23 0.00 0.00 0.00 0.00 60.65 61.49 3if0 s ILE 92 Cb -0.18 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 3if0 s ILE 92 CO 0.21 0.27 1.02 -2.65 0.00 0.00 0.00 174.94 173.79 3if0 n PRO 93 N 4.36 1.31 0.00 2.79 -0.02 -1.26 -2.06 135.00 140.11 3if0 n PRO 93 Ca -0.09 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3if0 n PRO 93 Cb 0.51 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3if0 n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3if0 n GLY 94 N 1.17 2.95 0.22 -1.23 0.00 -1.26 -4.78 105.19 102.26 3if0 n GLY 94 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 3if0 n GLY 94 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3if0 h THR 95 N 0.00 1.29 -4.75 2.61 2.02 -1.84 -3.44 112.91 108.80 3if0 h THR 95 Ca 0.00 -1.44 -0.41 0.00 0.77 0.00 0.00 66.41 65.33 3if0 h THR 95 Cb 0.00 1.53 -0.13 0.00 -1.74 0.00 0.00 68.15 67.82 3if0 h THR 95 CO 0.00 0.45 -0.47 0.27 0.37 0.00 0.00 175.52 176.14 3if0 s ILE 96 N -4.29 0.00 0.51 3.11 -4.36 -1.26 -5.08 121.20 109.83 3if0 s ILE 96 Ca -0.06 -1.94 -0.19 0.00 -0.26 0.00 0.00 60.65 58.19 3if0 s ILE 96 Cb 0.13 -2.52 -0.07 0.00 1.25 0.00 0.00 42.46 41.25 3if0 s ILE 96 CO 0.79 0.00 1.04 -1.61 0.24 0.00 0.00 174.94 175.40 3if0 s GLU 97 N -3.50 3.69 0.75 0.37 0.41 -1.26 -4.94 118.70 114.22 3if0 s GLU 97 Ca 0.39 1.33 -0.14 0.00 -0.41 0.00 0.00 54.97 56.14 3if0 s GLU 97 Cb 0.03 -2.08 0.05 0.00 -1.78 0.00 0.00 34.13 30.35 3if0 s GLU 97 CO 0.25 -0.52 1.19 1.14 -0.49 0.00 0.00 175.26 176.82 3if0 s GLN 98 N -3.43 2.06 0.03 1.61 0.00 -1.26 -4.96 119.66 113.70 3if0 s GLN 98 Ca 0.66 1.69 -0.20 0.00 -0.00 0.00 0.00 55.36 57.52 3if0 s GLN 98 Cb -0.16 -1.83 -0.17 0.00 0.00 0.00 0.00 33.01 30.85 3if0 s GLN 98 CO 0.24 -1.88 1.26 -0.44 0.00 0.00 0.00 175.29 174.46 3if0 h ASP 99 N -0.49 0.48 -4.52 12.60 5.19 -1.03 -3.47 116.42 125.18 3if0 h ASP 99 Ca -0.47 -0.59 -0.39 0.00 -0.62 0.00 0.00 57.03 54.96 3if0 h ASP 99 Cb 1.29 -0.14 -0.21 0.00 0.18 0.00 0.00 39.33 40.44 3if0 h ASP 99 CO 0.49 0.98 -0.77 -0.31 -3.12 0.00 0.00 179.24 176.51 3if0 s TYR 100 N -3.89 1.14 -0.28 4.55 2.02 -1.08 -3.92 117.35 115.89 3if0 s TYR 100 Ca -0.14 -0.47 -0.14 0.00 -0.37 0.00 0.00 57.07 55.96 3if0 s TYR 100 Cb 0.05 -0.64 -0.04 0.00 -0.40 0.00 0.00 41.96 40.93 3if0 s TYR 100 CO 0.79 0.04 0.32 -0.51 -1.57 0.00 0.00 175.55 174.61 3if0 s LEU 101 N -1.72 4.06 -0.12 -1.29 1.43 -0.40 -0.31 118.68 120.33 3if0 s LEU 101 Ca -0.03 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.21 3if0 s LEU 101 Cb -0.10 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 3if0 s LEU 101 CO 0.02 -0.15 -0.03 0.54 0.23 0.00 0.00 176.35 176.96 3if0 s VAL 102 N 1.98 4.03 -0.26 -1.59 0.11 0.77 -1.55 120.40 123.89 3if0 s VAL 102 Ca 0.12 -0.33 -0.05 0.00 -2.93 0.00 0.00 61.98 58.79 3if0 s VAL 102 Cb -0.16 -2.73 -0.00 0.00 -1.53 0.00 0.00 36.38 31.96 3if0 s VAL 102 CO 0.10 0.54 0.02 -0.47 -3.33 0.00 0.00 175.10 171.96 3if0 s TYR 103 N -0.19 3.07 -0.12 1.54 5.04 -0.04 -0.72 117.35 125.93 3if0 s TYR 103 Ca 0.04 -0.95 -0.14 0.00 -2.44 0.00 0.00 57.07 53.58 3if0 s TYR 103 Cb -0.13 -2.18 -0.05 0.00 0.35 0.00 0.00 41.96 39.96 3if0 s TYR 103 CO 0.02 -0.55 0.33 -1.25 -1.34 0.00 0.00 175.55 172.76 3if0 s PRO 104 N 1.49 4.13 0.25 4.97 0.04 -1.26 -0.98 135.00 143.63 3if0 s PRO 104 Ca 0.04 0.19 -0.02 0.00 0.04 0.00 0.00 61.00 61.26 3if0 s PRO 104 Cb -0.16 -3.37 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 3if0 s PRO 104 CO -0.00 0.36 0.25 0.14 0.04 0.00 0.00 177.00 177.80 3if0 s VAL 105 N 0.05 0.00 0.18 -0.36 -7.23 -0.25 -4.72 120.40 108.06 3if0 s VAL 105 Ca 0.19 -1.86 0.11 0.00 -1.81 0.00 0.00 61.98 58.61 3if0 s VAL 105 Cb -0.14 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 3if0 s VAL 105 CO 0.07 0.00 -0.24 -0.94 -0.31 0.00 0.00 175.10 173.68 3if0 s SER 106 N -3.19 3.46 0.56 4.85 1.04 -1.26 -0.86 113.70 118.30 3if0 s SER 106 Ca 0.36 -0.83 0.28 0.00 0.48 0.00 0.00 55.95 56.24 3if0 s SER 106 Cb 0.04 -0.27 1.48 0.00 0.10 0.00 0.00 66.02 67.37 3if0 s SER 106 CO 0.15 0.13 1.95 1.23 0.98 0.00 0.00 173.24 177.69 3if0 h GLY 107 N 3.33 0.00 1.23 7.32 0.00 -1.94 -2.28 103.07 110.72 3if0 h GLY 107 Ca -0.47 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.74 3if0 h GLY 107 CO 0.46 0.00 -1.11 0.83 0.00 0.00 0.00 176.54 176.72 3if0 h GLU 108 N 0.00 0.00 -6.58 4.80 5.08 -1.96 -3.46 114.58 112.45 3if0 h GLU 108 Ca 0.24 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.07 3if0 h GLU 108 Cb 1.11 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.38 3if0 h GLU 108 CO -0.00 0.27 0.67 0.96 -1.00 0.00 0.00 179.01 179.91 3if0 s ILE 109 N -3.01 3.41 0.88 3.13 -4.36 -0.86 -4.97 121.20 115.42 3if0 s ILE 109 Ca -0.01 1.06 -0.12 0.00 -0.26 0.00 0.00 60.65 61.32 3if0 s ILE 109 Cb 0.08 -3.68 0.12 0.00 1.25 0.00 0.00 42.46 40.24 3if0 s ILE 109 CO 0.79 0.11 1.10 -0.60 0.24 0.00 0.00 174.94 176.58 3if0 s ARG 110 N 0.69 1.38 -0.12 0.37 3.52 -1.26 -4.90 118.95 118.63 3if0 s ARG 110 Ca 0.61 0.63 -0.30 0.00 -0.13 0.00 0.00 55.73 56.53 3if0 s ARG 110 Cb -0.35 -1.84 0.10 0.00 -1.56 0.00 0.00 34.95 31.30 3if0 s ARG 110 CO 0.33 -2.10 0.87 -1.64 -0.81 0.00 0.00 175.30 171.94 3if0 s MET 111 N -5.07 0.78 0.25 5.12 -1.94 -1.26 -5.15 119.30 112.03 3if0 s MET 111 Ca 0.63 0.23 0.08 0.00 -1.71 0.00 0.00 55.69 54.92 3if0 s MET 111 Cb -0.16 0.37 -0.04 0.00 2.01 0.00 0.00 34.83 37.01 3if0 s MET 111 CO 0.56 -0.24 0.11 0.95 -0.01 0.00 0.00 175.02 176.39 3if0 s THR 112 N -1.05 4.07 0.53 2.05 -4.23 -1.26 -4.99 115.64 110.76 3if0 s THR 112 Ca -0.05 -1.57 0.24 0.00 -1.18 0.00 0.00 61.69 59.13 3if0 s THR 112 Cb -0.01 -3.18 0.30 0.00 1.34 0.00 0.00 72.50 70.96 3if0 s THR 112 CO 0.05 -0.34 2.17 -0.50 -0.54 0.00 0.00 174.62 175.46 3if0 h TRP 113 N 1.73 0.00 -0.18 3.99 4.06 -2.02 0.13 115.95 123.67 3if0 h TRP 113 Ca -0.47 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.41 3if0 h TRP 113 Cb 1.24 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.39 3if0 h TRP 113 CO 0.60 0.03 -0.22 0.78 -3.56 0.00 0.00 178.44 176.08 3if0 h GLY 114 N 0.16 0.35 1.01 1.49 0.00 -1.99 -1.99 103.07 102.08 3if0 h GLY 114 Ca -0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 3if0 h GLY 114 CO 0.00 0.24 -0.36 0.83 0.00 0.00 0.00 176.54 177.26 3if0 h GLU 115 N 0.29 0.74 -0.77 4.80 5.08 -1.14 -2.18 114.58 121.40 3if0 h GLU 115 Ca 0.05 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3if0 h GLU 115 Cb 0.56 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 3if0 h GLU 115 CO 0.04 1.04 0.47 1.25 -1.00 0.00 0.00 179.01 180.81 3if0 h LEU 116 N 0.48 0.92 -0.54 1.33 5.85 -1.21 -1.07 115.31 121.07 3if0 h LEU 116 Ca 0.04 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3if0 h LEU 116 Cb 0.94 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 3if0 h LEU 116 CO 0.08 0.70 0.28 0.25 -0.34 0.00 0.00 178.44 179.41 3if0 h LEU 117 N 1.05 0.69 -0.25 2.25 5.85 -1.31 0.12 115.31 123.71 3if0 h LEU 117 Ca 0.28 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3if0 h LEU 117 Cb -0.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3if0 h LEU 117 CO -0.05 0.61 0.15 0.44 -0.34 0.00 0.00 178.44 179.24 3if0 h ASP 118 N 0.72 0.24 0.08 1.25 3.45 -0.91 0.19 116.42 121.44 3if0 h ASP 118 Ca 0.19 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.65 3if0 h ASP 118 Cb 0.08 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 3if0 h ASP 118 CO -0.03 0.17 -0.04 0.40 -1.57 0.00 0.00 179.24 178.18 3if0 h ILE 119 N 0.30 0.99 -0.73 0.35 1.08 -1.02 -1.57 117.51 116.92 3if0 h ILE 119 Ca 0.10 -0.24 0.05 0.00 -0.39 0.00 0.00 64.86 64.38 3if0 h ILE 119 Cb -0.00 1.15 -0.05 0.00 -3.07 0.00 0.00 36.82 34.84 3if0 h ILE 119 CO -0.05 0.06 0.43 0.22 -0.69 0.00 0.00 178.15 178.13 3if0 h TYR 120 N -0.21 0.80 -0.70 1.37 3.20 -0.79 -2.13 116.97 118.51 3if0 h TYR 120 Ca -0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 3if0 h TYR 120 Cb 0.18 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3if0 h TYR 120 CO -0.04 0.41 0.37 -0.91 -1.64 0.00 0.00 178.16 176.35 3if0 h ASN 121 N 0.81 0.87 -0.68 -2.11 2.35 -0.41 -0.78 115.58 115.62 3if0 h ASN 121 Ca 0.31 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 3if0 h ASN 121 Cb 0.13 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3if0 h ASN 121 CO -0.16 0.71 0.34 0.50 -1.65 0.00 0.00 177.43 177.17 3if0 h LYS 122 N 0.97 1.00 -0.31 0.81 3.64 -0.63 0.43 116.57 122.48 3if0 h LYS 122 Ca 0.25 -0.13 -0.15 0.00 -1.27 0.00 0.00 60.65 59.34 3if0 h LYS 122 Cb 0.05 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3if0 h LYS 122 CO -0.04 0.77 -0.41 0.00 -2.27 0.00 0.00 179.45 177.50 3if0 h ALA 123 N 1.38 0.69 -0.32 5.00 0.00 -0.96 -2.55 119.26 122.49 3if0 h ALA 123 Ca 0.24 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3if0 h ALA 123 Cb 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3if0 h ALA 123 CO -0.03 0.67 -0.31 0.82 0.00 0.00 0.00 179.25 180.40 3if0 h ILE 124 N 0.62 1.28 0.00 0.00 1.08 -0.59 -1.45 117.51 118.45 3if0 h ILE 124 Ca 0.05 -1.44 -0.01 0.00 -0.39 0.00 0.00 64.86 63.07 3if0 h ILE 124 Cb 0.97 1.36 -0.00 0.00 -3.07 0.00 0.00 36.82 36.08 3if0 h ILE 124 CO 0.09 0.47 -0.03 0.00 -0.69 0.00 0.00 178.15 177.98 3if0 h ALA 125 N 1.07 1.06 -0.65 1.87 0.00 0.03 0.20 119.26 122.85 3if0 h ALA 125 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3if0 h ALA 125 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3if0 h ALA 125 CO 0.07 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.90 3if0 n ARG 126 N -3.22 3.86 -3.20 0.00 1.74 -0.94 -4.96 116.66 109.93 3if0 n ARG 126 Ca -0.01 -2.89 -0.23 0.00 -0.77 0.00 0.00 57.85 53.94 3if0 n ARG 126 Cb 0.22 -1.94 0.05 0.00 -1.02 0.00 0.00 32.46 29.76 3if0 n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3if0 n LYS 127 N 1.10 -5.69 -4.14 5.56 5.02 0.71 -4.98 118.16 115.73 3if0 n LYS 127 Ca 0.26 0.88 -0.09 0.00 -2.02 0.00 0.00 58.31 57.34 3if0 n LYS 127 Cb 0.92 -5.79 -0.10 0.00 -0.02 0.00 0.00 35.03 30.04 3if0 n LYS 127 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3if0 s SER 128 N -2.87 0.54 0.76 4.39 1.04 -0.59 -5.02 113.70 111.93 3if0 s SER 128 Ca 0.39 -1.10 -0.13 0.00 0.48 0.00 0.00 55.95 55.59 3if0 s SER 128 Cb -0.17 0.22 0.05 0.00 0.10 0.00 0.00 66.02 66.22 3if0 s SER 128 CO 0.48 -0.64 1.13 -0.54 0.98 0.00 0.00 173.24 174.65 3if0 s LYS 129 N -3.97 2.17 -0.04 4.02 1.02 -1.25 -4.03 119.74 117.66 3if0 s LYS 129 Ca 0.16 1.41 0.05 0.00 0.02 0.00 0.00 55.97 57.61 3if0 s LYS 129 Cb 0.07 -1.87 -0.01 0.00 -0.52 0.00 0.00 37.83 35.51 3if0 s LYS 129 CO -0.03 -1.74 -0.20 0.12 -0.92 0.00 0.00 175.35 172.57 3if0 s PHE 130 N -2.52 1.96 -0.02 3.18 5.36 -1.26 -1.27 117.98 123.40 3if0 s PHE 130 Ca 0.66 -0.54 0.02 0.00 -0.96 0.00 0.00 56.93 56.10 3if0 s PHE 130 Cb -0.21 -1.30 0.01 0.00 -0.34 0.00 0.00 43.02 41.18 3if0 s PHE 130 CO 0.50 -0.16 -0.05 1.41 -1.46 0.00 0.00 175.22 175.45 3if0 s MET 131 N -0.10 0.63 -0.13 10.12 -2.45 -0.60 -2.73 119.30 124.05 3if0 s MET 131 Ca -0.02 -0.17 -0.12 0.00 -1.25 0.00 0.00 55.69 54.13 3if0 s MET 131 Cb -0.12 -0.63 -0.05 0.00 1.25 0.00 0.00 34.83 35.28 3if0 s MET 131 CO 0.02 0.04 0.25 -1.17 1.05 0.00 0.00 175.02 175.22 3if0 s LEU 132 N 0.32 4.31 -0.21 4.11 2.96 0.17 -0.86 118.68 129.47 3if0 s LEU 132 Ca -0.04 0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 54.37 3if0 s LEU 132 Cb -0.08 -2.30 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 3if0 s LEU 132 CO -0.00 0.22 -0.07 0.00 -1.32 0.00 0.00 176.35 175.18 3if0 s ALA 133 N -0.13 2.74 -0.25 5.97 0.00 -0.16 -1.10 121.76 128.84 3if0 s ALA 133 Ca 0.16 -1.15 -0.08 0.00 0.00 0.00 0.00 51.96 50.90 3if0 s ALA 133 Cb -0.13 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 3if0 s ALA 133 CO 0.05 -0.36 0.08 0.42 0.00 0.00 0.00 175.76 175.95 3if0 s ILE 134 N 1.35 4.43 -0.23 0.00 1.01 0.05 -1.09 121.20 126.71 3if0 s ILE 134 Ca 0.04 -0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.45 3if0 s ILE 134 Cb -0.14 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 3if0 s ILE 134 CO -0.04 0.33 0.17 0.54 0.00 0.00 0.00 174.94 175.94 3if0 s VAL 135 N 1.63 5.36 0.34 2.92 0.11 -0.04 -1.64 120.40 129.07 3if0 s VAL 135 Ca 0.06 0.23 -0.01 0.00 -2.93 0.00 0.00 61.98 59.33 3if0 s VAL 135 Cb -0.15 -3.51 0.07 0.00 -1.53 0.00 0.00 36.38 31.25 3if0 s VAL 135 CO 0.04 0.35 0.46 -0.90 -3.33 0.00 0.00 175.10 171.73 3if0 n ASP 136 N 4.17 0.56 0.04 3.54 3.85 -0.38 -3.95 116.55 124.38 3if0 n ASP 136 Ca -0.15 -1.49 0.10 0.00 -0.71 0.00 0.00 54.79 52.54 3if0 n ASP 136 Cb 0.52 -0.30 0.41 0.00 -1.35 0.00 0.00 41.12 40.40 3if0 n ASP 136 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3if0 n SER 137 N -2.99 0.24 -1.07 -1.12 3.41 -1.26 -1.18 113.62 109.64 3if0 n SER 137 Ca 0.07 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 3if0 n SER 137 Cb 0.27 -0.60 0.26 0.00 -0.26 0.00 0.00 64.21 63.87 3if0 n SER 137 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3if0 n GLU 138 N -1.75 2.39 -0.91 4.33 1.02 -1.26 -4.94 120.64 119.52 3if0 n GLU 138 Ca 0.04 -2.11 0.00 0.00 -0.02 0.00 0.00 57.16 55.07 3if0 n GLU 138 Cb 0.23 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3if0 n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3if0 n GLY 139 N 1.46 0.60 3.83 0.62 0.00 -0.32 -5.04 105.19 106.33 3if0 n GLY 139 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3if0 n GLY 139 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3if0 s ASP 140 N -2.13 6.95 -0.05 1.61 1.01 -1.26 -4.82 116.67 117.99 3if0 s ASP 140 Ca 0.00 1.49 0.07 0.00 0.71 0.00 0.00 52.55 54.82 3if0 s ASP 140 Cb 0.00 -2.46 -0.01 0.00 1.01 0.00 0.00 42.92 41.46 3if0 s ASP 140 CO 0.00 -0.19 -0.25 -0.69 0.21 0.00 0.00 175.17 174.26 3if0 s VAL 141 N -1.90 2.02 0.17 -1.27 1.01 -1.26 -1.25 120.40 117.92 3if0 s VAL 141 Ca 0.54 -1.06 0.10 0.00 0.00 0.00 0.00 61.98 61.55 3if0 s VAL 141 Cb -0.12 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3if0 s VAL 141 CO 0.18 0.57 -0.22 0.42 0.00 0.00 0.00 175.10 176.05 3if0 s THR 142 N -0.29 2.09 0.01 3.92 -4.23 -0.65 -4.97 115.64 111.51 3if0 s THR 142 Ca 0.01 -1.94 0.07 0.00 -1.18 0.00 0.00 61.69 58.65 3if0 s THR 142 Cb -0.12 -1.96 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 3if0 s THR 142 CO 0.02 -0.18 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.40 3if0 s TYR 143 N -1.75 1.87 -0.02 3.99 2.02 -1.26 -0.77 117.35 121.42 3if0 s TYR 143 Ca 0.17 -0.36 -0.00 0.00 -0.37 0.00 0.00 57.07 56.51 3if0 s TYR 143 Cb -0.07 -1.17 0.03 0.00 -0.40 0.00 0.00 41.96 40.35 3if0 s TYR 143 CO 0.08 0.02 0.03 0.71 -1.57 0.00 0.00 175.55 174.83 3if0 s TYR 144 N -0.62 0.03 0.34 2.71 2.02 -0.25 -4.99 117.35 116.59 3if0 s TYR 144 Ca 0.08 0.14 -0.25 0.00 -0.37 0.00 0.00 57.07 56.67 3if0 s TYR 144 Cb -0.08 -0.27 -0.10 0.00 -0.40 0.00 0.00 41.96 41.11 3if0 s TYR 144 CO 0.00 -0.10 0.98 -2.00 -1.57 0.00 0.00 175.55 172.86 3if0 s GLU 145 N 1.19 4.47 -0.09 -0.62 2.12 -1.26 -0.66 118.70 123.85 3if0 s GLU 145 Ca -0.08 1.38 -0.00 0.00 0.36 0.00 0.00 54.97 56.63 3if0 s GLU 145 Cb -0.13 -2.72 0.02 0.00 0.26 0.00 0.00 34.13 31.56 3if0 s GLU 145 CO -0.03 0.16 -0.06 0.12 -0.54 0.00 0.00 175.26 174.91 3if0 s PHE 146 N -1.64 1.24 -0.07 5.30 2.19 -1.10 -4.91 117.98 118.99 3if0 s PHE 146 Ca 0.52 -0.55 -0.10 0.00 0.33 0.00 0.00 56.93 57.13 3if0 s PHE 146 Cb -0.19 -1.07 0.02 0.00 -1.31 0.00 0.00 43.02 40.46 3if0 s PHE 146 CO 0.25 -0.42 0.26 -0.98 1.83 0.00 0.00 175.22 176.16 3if0 s ARG 147 N 1.60 0.41 0.33 10.12 1.70 -1.26 -4.43 118.95 127.41 3if0 s ARG 147 Ca 0.02 0.17 -0.28 0.00 -0.47 0.00 0.00 55.73 55.17 3if0 s ARG 147 Cb -0.13 0.19 -0.09 0.00 -0.57 0.00 0.00 34.95 34.35 3if0 s ARG 147 CO -0.06 -0.08 1.10 0.21 -1.08 0.00 0.00 175.30 175.40 3if0 s LYS 148 N -0.33 4.44 0.00 3.89 2.20 -1.26 -5.21 119.74 123.47 3if0 s LYS 148 Ca -0.04 1.74 0.24 0.00 -0.36 0.00 0.00 55.97 57.55 3if0 s LYS 148 Cb -0.03 -2.96 0.23 0.00 -1.51 0.00 0.00 37.83 33.55 3if0 s LYS 148 CO 0.01 0.05 1.28 1.28 -0.36 0.00 0.00 175.35 177.61