#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g40 n THR 3 N -3.64 0.00 -1.16 0.00 -1.04 -1.26 -4.79 114.28 102.39 1g40 n THR 3 Ca 0.16 -2.02 -0.29 0.00 -2.04 0.00 0.00 64.05 59.86 1g40 n THR 3 Cb 0.60 -0.12 0.19 0.00 -1.82 0.00 0.00 70.33 69.18 1g40 n THR 3 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1g40 s ILE 4 N -2.54 1.93 0.39 12.58 -4.36 -1.26 -4.94 121.20 123.00 1g40 s ILE 4 Ca 0.33 0.00 -0.11 0.00 -0.26 0.00 0.00 60.65 60.61 1g40 s ILE 4 Cb -0.03 -2.50 -0.09 0.00 1.25 0.00 0.00 42.46 41.09 1g40 s ILE 4 CO 0.21 0.00 -0.19 -2.65 0.24 0.00 0.00 174.94 172.55 1g40 n PRO 5 N -4.30 0.00 -0.35 0.37 -0.02 -1.26 -5.02 135.00 124.42 1g40 n PRO 5 Ca 0.06 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.50 1g40 n PRO 5 Cb 0.58 -0.61 0.03 0.00 -0.02 0.00 0.00 33.50 33.47 1g40 n PRO 5 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1g40 n SER 6 N 1.71 0.04 -2.80 2.55 3.41 -1.26 -5.08 113.62 112.19 1g40 n SER 6 Ca 0.03 -1.08 -0.11 0.00 -0.26 0.00 0.00 58.87 57.45 1g40 n SER 6 Cb 0.30 -0.14 0.04 0.00 -0.26 0.00 0.00 64.21 64.16 1g40 n SER 6 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1g40 n ARG 7 N -1.38 1.10 -4.42 4.33 1.74 -1.26 -5.11 116.66 111.66 1g40 n ARG 7 Ca 0.02 -2.91 -0.35 0.00 -0.77 0.00 0.00 57.85 53.85 1g40 n ARG 7 Cb 0.08 -1.11 -0.10 0.00 -1.02 0.00 0.00 32.46 30.31 1g40 n ARG 7 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1g40 s PRO 8 N -2.07 2.95 -0.42 5.56 0.04 -1.26 -5.04 135.00 134.76 1g40 s PRO 8 Ca 0.29 -0.44 -0.19 0.00 0.04 0.00 0.00 61.00 60.70 1g40 s PRO 8 Cb 0.41 -2.76 0.02 0.00 0.04 0.00 0.00 34.50 32.21 1g40 s PRO 8 CO -0.02 0.68 0.53 0.42 0.04 0.00 0.00 177.00 178.66 1g40 s ILE 9 N -0.84 4.97 -0.51 0.56 1.01 -1.26 -4.18 121.20 120.95 1g40 s ILE 9 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 1g40 s ILE 9 Cb -0.11 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1g40 s ILE 9 CO 0.02 -0.46 0.49 0.59 0.00 0.00 0.00 174.94 175.59 1g40 n ASN 10 N 5.89 -6.12 -3.54 3.58 3.02 -1.26 -5.06 115.26 111.77 1g40 n ASN 10 Ca -0.05 -0.02 -0.20 0.00 -0.03 0.00 0.00 54.58 54.28 1g40 n ASN 10 Cb 0.48 -4.06 -0.08 0.00 -0.61 0.00 0.00 39.78 35.50 1g40 n ASN 10 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1g40 s MET 11 N -2.95 1.75 -0.02 3.52 -2.45 -1.26 -4.82 119.30 113.07 1g40 s MET 11 Ca 0.01 -2.02 -0.30 0.00 -1.25 0.00 0.00 55.69 52.13 1g40 s MET 11 Cb -0.00 0.17 -0.04 0.00 1.25 0.00 0.00 34.83 36.21 1g40 s MET 11 CO 0.53 -0.61 1.13 -1.59 1.05 0.00 0.00 175.02 175.54 1g40 s LYS 12 N -3.54 4.42 0.13 4.11 -2.85 -1.26 -4.24 119.74 116.51 1g40 s LYS 12 Ca 0.38 1.61 -0.07 0.00 -1.00 0.00 0.00 55.97 56.89 1g40 s LYS 12 Cb 0.03 -3.48 -0.06 0.00 -2.06 0.00 0.00 37.83 32.26 1g40 s LYS 12 CO 0.24 -0.30 0.40 -0.06 0.10 0.00 0.00 175.35 175.73 1g40 s PHE 13 N 1.64 3.50 -0.52 1.78 0.08 -0.71 -4.67 117.98 119.08 1g40 s PHE 13 Ca 0.55 0.66 -0.28 0.00 0.12 0.00 0.00 56.93 57.98 1g40 s PHE 13 Cb -0.24 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.13 1g40 s PHE 13 CO 0.24 0.44 1.53 0.15 -0.10 0.00 0.00 175.22 177.49 1g40 s LYS 14 N -2.45 3.24 -0.04 0.44 1.02 -1.26 -0.71 119.74 119.98 1g40 s LYS 14 Ca 0.39 0.66 -0.02 0.00 0.02 0.00 0.00 55.97 57.03 1g40 s LYS 14 Cb -0.12 -4.16 0.03 0.00 -0.52 0.00 0.00 37.83 33.05 1g40 s LYS 14 CO 0.22 -2.00 0.06 1.21 -0.92 0.00 0.00 175.35 173.92 1g40 s ASN 15 N 5.13 1.18 -0.01 2.83 2.47 -1.17 -4.97 114.94 120.40 1g40 s ASN 15 Ca 0.59 0.06 -0.00 0.00 0.42 0.00 0.00 52.86 53.93 1g40 s ASN 15 Cb -0.13 -0.16 0.00 0.00 -1.45 0.00 0.00 41.25 39.52 1g40 s ASN 15 CO 0.26 -0.25 0.01 -1.54 -3.72 0.00 0.00 177.10 171.86 1g40 n SER 16 N 5.29 -2.09 0.00 -4.21 3.41 -1.26 -4.76 113.62 110.00 1g40 n SER 16 Ca -0.03 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1g40 n SER 16 Cb 0.50 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1g40 n SER 16 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1g40 n VAL 17 N 0.07 0.00 -3.69 -3.33 0.31 -1.26 -5.03 118.33 105.39 1g40 n VAL 17 Ca -0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.22 1g40 n VAL 17 Cb 0.02 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.84 1g40 n VAL 17 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1g40 s GLU 18 N 0.00 0.41 -0.59 5.55 8.01 -1.26 -5.09 118.70 125.73 1g40 s GLU 18 Ca 0.00 0.82 0.05 0.00 0.01 0.00 0.00 54.97 55.85 1g40 s GLU 18 Cb 0.00 -0.01 0.17 0.00 -4.31 0.00 0.00 34.13 29.99 1g40 s GLU 18 CO 0.00 -0.16 0.45 2.41 0.01 0.00 0.00 175.26 177.97 1g40 n THR 19 N 4.29 0.52 -3.45 3.63 -1.04 -1.26 -4.95 114.28 112.02 1g40 n THR 19 Ca -0.23 -4.31 -0.29 0.00 -2.04 0.00 0.00 64.05 57.18 1g40 n THR 19 Cb 0.55 -1.97 -0.04 0.00 -1.82 0.00 0.00 70.33 67.05 1g40 n THR 19 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1g40 s ASP 20 N -0.92 6.47 -0.04 8.00 1.01 -1.26 -5.04 116.67 124.90 1g40 s ASP 20 Ca 0.29 0.68 -0.08 0.00 0.71 0.00 0.00 52.55 54.14 1g40 s ASP 20 Cb 0.00 -2.13 -0.04 0.00 1.01 0.00 0.00 42.92 41.76 1g40 s ASP 20 CO -0.18 -0.12 0.41 0.00 0.21 0.00 0.00 175.17 175.49 1g40 h ALA 21 N 2.02 -0.36 -3.08 5.23 0.00 -2.04 -3.39 119.26 117.64 1g40 h ALA 21 Ca -0.47 -0.06 -0.71 0.00 0.00 0.00 0.00 54.91 53.67 1g40 h ALA 21 Cb 1.18 0.11 -0.34 0.00 0.00 0.00 0.00 17.79 18.75 1g40 h ALA 21 CO 0.68 -0.34 -0.38 -0.80 0.00 0.00 0.00 179.25 178.41 1g40 s ASN 22 N -4.52 5.40 0.00 0.00 0.01 -1.26 -4.86 114.94 109.71 1g40 s ASN 22 Ca -0.04 -2.55 0.00 0.00 -0.71 0.00 0.00 52.86 49.55 1g40 s ASN 22 Cb 0.00 -1.89 0.00 0.00 0.41 0.00 0.00 41.25 39.77 1g40 s ASN 22 CO 0.13 -0.46 0.00 0.00 -1.51 0.00 0.00 177.10 175.26 1g40 n ALA 23 N 3.93 1.99 -1.52 0.60 0.00 -1.26 -5.01 120.51 119.23 1g40 n ALA 23 Ca 0.04 -0.02 -0.61 0.00 0.00 0.00 0.00 53.44 52.85 1g40 n ALA 23 Cb 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 1g40 n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1g40 n ASN 24 N -1.77 1.37 0.00 0.00 3.02 -1.26 -4.64 115.26 111.98 1g40 n ASN 24 Ca 0.00 0.89 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 1g40 n ASN 24 Cb 0.00 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 1g40 n ASN 24 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1g40 n TYR 25 N 6.25 -0.74 -3.08 3.10 4.01 -1.26 -2.76 117.16 122.67 1g40 n TYR 25 Ca 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.14 1g40 n TYR 25 Cb 0.02 0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 1g40 n TYR 25 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1g40 n ASN 26 N -1.95 0.00 -3.85 7.72 2.04 -1.26 -1.07 115.26 116.88 1g40 n ASN 26 Ca 0.00 -0.22 -0.33 0.00 -0.44 0.00 0.00 54.58 53.60 1g40 n ASN 26 Cb 0.00 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.19 1g40 n ASN 26 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 1g40 n ILE 27 N 0.00 0.00 -1.92 1.53 5.41 -1.26 -3.92 119.36 119.20 1g40 n ILE 27 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 1g40 n ILE 27 Cb 0.00 -0.38 -0.02 0.00 -0.71 0.00 0.00 39.64 38.53 1g40 n ILE 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1g40 n GLY 28 N -0.92 -3.79 2.84 7.39 0.00 -1.26 -5.01 105.19 104.43 1g40 n GLY 28 Ca 0.09 0.40 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 1g40 n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1g40 s ASP 29 N -0.30 4.20 -0.48 1.61 1.01 -1.25 -5.03 116.67 116.43 1g40 s ASP 29 Ca -0.10 -2.17 -0.15 0.00 0.71 0.00 0.00 52.55 50.85 1g40 s ASP 29 Cb 0.01 -1.22 0.08 0.00 1.01 0.00 0.00 42.92 42.80 1g40 s ASP 29 CO 0.30 -0.35 0.39 -0.89 0.21 0.00 0.00 175.17 174.84 1g40 s THR 30 N 0.91 5.07 -0.20 -1.27 2.01 -1.25 -3.38 115.64 117.53 1g40 s THR 30 Ca 0.13 -1.20 -0.10 0.00 0.31 0.00 0.00 61.69 60.83 1g40 s THR 30 Cb -0.20 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 1g40 s THR 30 CO -0.11 -0.62 0.12 -0.63 -0.69 0.00 0.00 174.62 172.69 1g40 s ILE 31 N 1.60 5.34 0.08 1.82 1.01 -0.19 -4.92 121.20 125.93 1g40 s ILE 31 Ca 0.04 0.16 -0.16 0.00 0.00 0.00 0.00 60.65 60.69 1g40 s ILE 31 Cb -0.25 -3.43 -0.06 0.00 0.01 0.00 0.00 42.46 38.72 1g40 s ILE 31 CO 0.05 0.44 0.52 -1.61 0.00 0.00 0.00 174.94 174.34 1g40 s GLU 32 N 0.39 4.05 -0.16 2.79 2.02 -1.26 -1.50 118.70 125.03 1g40 s GLU 32 Ca 0.07 0.56 -0.08 0.00 0.02 0.00 0.00 54.97 55.55 1g40 s GLU 32 Cb -0.11 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 1g40 s GLU 32 CO -0.01 0.60 0.11 0.71 0.02 0.00 0.00 175.26 176.68 1g40 s TYR 33 N -1.22 3.42 -0.24 1.61 2.02 -1.26 -3.07 117.35 118.61 1g40 s TYR 33 Ca 0.30 0.33 -0.02 0.00 -0.37 0.00 0.00 57.07 57.31 1g40 s TYR 33 Cb -0.17 -2.04 0.02 0.00 -0.40 0.00 0.00 41.96 39.37 1g40 s TYR 33 CO 0.18 0.43 -0.06 -0.51 -1.57 0.00 0.00 175.55 174.01 1g40 s LEU 34 N -0.21 3.10 0.78 -1.29 1.43 0.11 -4.88 118.68 117.72 1g40 s LEU 34 Ca 0.10 -0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 52.31 1g40 s LEU 34 Cb -0.12 -1.67 0.06 0.00 0.03 0.00 0.00 46.19 44.49 1g40 s LEU 34 CO 0.01 -0.10 1.09 0.00 0.23 0.00 0.00 176.35 177.57 1g40 s LEU 36 N -5.72 3.71 0.00 0.00 2.01 -1.26 -4.82 118.68 112.60 1g40 s LEU 36 Ca 0.60 1.57 0.00 0.00 0.01 0.00 0.00 54.13 56.31 1g40 s LEU 36 Cb -0.14 -4.48 0.00 0.00 0.01 0.00 0.00 46.19 41.58 1g40 s LEU 36 CO 0.54 -0.52 0.00 -2.65 1.01 0.00 0.00 176.35 174.73 1g40 n PRO 37 N -1.35 0.00 0.00 1.29 -0.02 -1.26 -1.14 135.00 132.52 1g40 n PRO 37 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1g40 n PRO 37 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 1g40 n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1g40 n GLY 38 N 0.00 0.00 3.39 -1.23 0.00 -1.26 -5.18 105.19 100.91 1g40 n GLY 38 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1g40 n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g40 s TYR 39 N 0.00 2.02 0.02 1.61 2.02 -0.29 -4.90 117.35 117.83 1g40 s TYR 39 Ca 0.00 -0.43 0.08 0.00 -0.37 0.00 0.00 57.07 56.34 1g40 s TYR 39 Cb 0.00 -0.95 -0.03 0.00 -0.40 0.00 0.00 41.96 40.59 1g40 s TYR 39 CO 0.00 0.48 -0.22 1.03 -1.57 0.00 0.00 175.55 175.27 1g40 s ARG 40 N -3.18 2.03 0.42 -0.62 1.81 0.14 -4.83 118.95 114.72 1g40 s ARG 40 Ca 0.22 -0.99 -0.25 0.00 -1.72 0.00 0.00 55.73 52.99 1g40 s ARG 40 Cb -0.05 -2.11 -0.08 0.00 -0.45 0.00 0.00 34.95 32.26 1g40 s ARG 40 CO 0.10 0.54 1.27 0.15 -0.68 0.00 0.00 175.30 176.68 1g40 s LYS 41 N -1.17 3.88 0.36 3.54 1.02 -1.26 -0.63 119.74 125.48 1g40 s LYS 41 Ca 0.13 2.07 0.03 0.00 0.02 0.00 0.00 55.97 58.22 1g40 s LYS 41 Cb -0.10 -2.66 0.07 0.00 -0.52 0.00 0.00 37.83 34.61 1g40 s LYS 41 CO 0.03 -0.54 0.50 1.04 -0.92 0.00 0.00 175.35 175.46 1g40 n GLN 42 N -0.06 0.55 0.00 1.68 6.02 -0.47 0.44 117.38 125.54 1g40 n GLN 42 Ca 0.05 -1.68 0.00 0.00 -0.01 0.00 0.00 57.00 55.36 1g40 n GLN 42 Cb 0.45 -0.23 0.00 0.00 1.02 0.00 0.00 30.24 31.47 1g40 n GLN 42 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1g40 n LYS 43 N -1.85 0.00 -1.43 -1.09 5.02 -1.26 -4.64 118.16 112.91 1g40 n LYS 43 Ca 0.09 0.04 -0.33 0.00 -2.02 0.00 0.00 58.31 56.10 1g40 n LYS 43 Cb 0.34 -0.12 0.09 0.00 -0.02 0.00 0.00 35.03 35.31 1g40 n LYS 43 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1g40 s MET 44 N -0.55 2.24 0.00 1.97 -1.94 -1.26 -4.39 119.30 115.37 1g40 s MET 44 Ca 0.00 1.53 0.00 0.00 -1.71 0.00 0.00 55.69 55.51 1g40 s MET 44 Cb 0.00 -1.87 0.00 0.00 2.01 0.00 0.00 34.83 34.97 1g40 s MET 44 CO 0.00 -1.71 0.00 0.41 -0.01 0.00 0.00 175.02 173.71 1g40 n GLY 45 N -0.16 0.00 0.19 -0.03 0.00 -1.26 -4.81 105.19 99.12 1g40 n GLY 45 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1g40 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g40 h PRO 46 N 3.96 0.58 -7.27 1.61 0.13 -1.81 -3.43 132.00 125.77 1g40 h PRO 46 Ca 0.00 -0.24 -0.52 0.00 -0.87 0.00 0.00 66.00 64.37 1g40 h PRO 46 Cb 0.00 -0.02 0.19 0.00 0.13 0.00 0.00 31.00 31.30 1g40 h PRO 46 CO 0.00 0.80 0.23 0.96 -0.23 0.00 0.00 178.00 179.76 1g40 s ILE 47 N -4.68 2.12 0.76 -3.56 -4.36 -1.26 -4.56 121.20 105.65 1g40 s ILE 47 Ca -0.13 0.04 -0.13 0.00 -0.26 0.00 0.00 60.65 60.17 1g40 s ILE 47 Cb 0.08 -2.08 0.18 0.00 1.25 0.00 0.00 42.46 41.90 1g40 s ILE 47 CO 0.79 -0.05 0.82 -1.22 0.24 0.00 0.00 174.94 175.52 1g40 n TYR 48 N -4.21 -3.78 -2.54 1.37 4.01 -1.26 -4.97 117.16 105.78 1g40 n TYR 48 Ca 0.12 -0.73 -0.43 0.00 -0.16 0.00 0.00 57.90 56.69 1g40 n TYR 48 Cb 0.52 -0.74 -0.02 0.00 -0.31 0.00 0.00 39.34 38.79 1g40 n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1g40 s ALA 49 N -3.45 3.44 -0.04 -0.72 0.00 -0.56 -4.89 121.76 115.54 1g40 s ALA 49 Ca 0.50 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.51 1g40 s ALA 49 Cb -0.03 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 1g40 s ALA 49 CO 0.37 -1.62 -0.12 0.15 0.00 0.00 0.00 175.76 174.53 1g40 s LYS 50 N 3.89 2.51 -0.29 0.00 1.02 -1.25 -1.03 119.74 124.60 1g40 s LYS 50 Ca 0.50 -0.70 -0.16 0.00 0.02 0.00 0.00 55.97 55.63 1g40 s LYS 50 Cb -0.14 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.73 1g40 s LYS 50 CO 0.19 0.62 0.44 0.00 -0.92 0.00 0.00 175.35 175.68 1g40 n THR 52 N 5.20 0.00 -1.35 0.00 -1.04 -1.26 -4.72 114.28 111.11 1g40 n THR 52 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1g40 n THR 52 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1g40 n THR 52 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1g40 n GLY 53 N 0.56 2.20 0.00 3.41 0.00 -1.26 -4.58 105.19 105.52 1g40 n GLY 53 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1g40 n GLY 53 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1g40 n THR 54 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.04 114.28 110.55 1g40 n THR 54 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1g40 n THR 54 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1g40 n THR 54 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1g40 n GLY 55 N 0.00 1.23 3.52 3.41 0.00 -1.26 -5.02 105.19 107.07 1g40 n GLY 55 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1g40 n GLY 55 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1g40 s TRP 56 N 2.39 2.42 0.09 1.61 0.52 -1.26 -4.68 118.94 120.04 1g40 s TRP 56 Ca 0.00 -0.30 -0.03 0.00 0.02 0.00 0.00 56.10 55.79 1g40 s TRP 56 Cb 0.00 -1.07 -0.05 0.00 -1.15 0.00 0.00 33.47 31.20 1g40 s TRP 56 CO 0.00 0.67 0.30 0.99 0.02 0.00 0.00 176.95 178.93 1g40 s THR 57 N -2.38 5.27 0.00 2.01 2.01 -1.03 -4.37 115.64 117.15 1g40 s THR 57 Ca 0.30 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.21 1g40 s THR 57 Cb -0.06 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.84 1g40 s THR 57 CO 0.16 0.13 0.00 0.18 -0.69 0.00 0.00 174.62 174.40 1g40 n LEU 58 N 0.33 0.00 0.00 4.42 4.77 -1.26 -3.76 117.00 121.50 1g40 n LEU 58 Ca -0.05 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.12 1g40 n LEU 58 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1g40 n LEU 58 CO 0.49 0.00 -0.25 0.49 -1.33 0.00 0.00 177.39 176.78 1g40 n PHE 59 N -2.00 -3.56 -3.64 -1.77 3.72 -1.26 -4.69 117.46 104.26 1g40 n PHE 59 Ca 0.00 1.70 -0.15 0.00 -0.05 0.00 0.00 57.45 58.96 1g40 n PHE 59 Cb 0.00 -3.14 -0.08 0.00 -0.94 0.00 0.00 39.48 35.32 1g40 n PHE 59 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1g40 s ASN 60 N -6.96 -0.60 0.00 4.37 4.22 -1.26 -4.84 114.94 109.86 1g40 s ASN 60 Ca 0.00 1.01 0.00 0.00 -2.14 0.00 0.00 52.86 51.73 1g40 s ASN 60 Cb 0.00 1.00 0.00 0.00 1.28 0.00 0.00 41.25 43.53 1g40 s ASN 60 CO 0.00 -0.33 0.00 0.00 -2.04 0.00 0.00 177.10 174.73 1g40 n GLN 61 N 2.19 0.00 -4.60 3.55 6.02 -1.26 -5.03 117.38 118.24 1g40 n GLN 61 Ca -0.16 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.59 1g40 n GLN 61 Cb 0.56 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.66 1g40 n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g40 n ILE 63 N 3.74 0.00 -3.72 0.00 5.41 0.20 -4.73 119.36 120.27 1g40 n ILE 63 Ca -0.22 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.37 1g40 n ILE 63 Cb 0.52 0.00 -0.16 0.00 -0.71 0.00 0.00 39.64 39.29 1g40 n ILE 63 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1g40 s LYS 64 N 1.36 0.02 -0.11 0.38 2.20 -1.26 0.28 119.74 122.62 1g40 s LYS 64 Ca 0.00 0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 55.71 1g40 s LYS 64 Cb 0.00 -0.27 0.12 0.00 -1.51 0.00 0.00 37.83 36.17 1g40 s LYS 64 CO 0.00 -0.23 0.96 1.03 -0.36 0.00 0.00 175.35 176.74 1g40 s ARG 65 N 1.65 0.68 0.18 4.03 0.52 -1.26 -5.03 118.95 119.72 1g40 s ARG 65 Ca -0.03 -0.01 0.10 0.00 -0.52 0.00 0.00 55.73 55.27 1g40 s ARG 65 Cb -0.12 0.32 -0.04 0.00 0.52 0.00 0.00 34.95 35.62 1g40 s ARG 65 CO -0.05 -0.25 -0.21 1.03 0.02 0.00 0.00 175.30 175.84 1g40 s ARG 66 N -1.83 1.41 -0.08 3.54 3.00 -1.26 -4.54 118.95 119.19 1g40 s ARG 66 Ca 0.00 -1.48 -0.30 0.00 0.00 0.00 0.00 55.73 53.95 1g40 s ARG 66 Cb -0.01 -1.59 -0.02 0.00 0.00 0.00 0.00 34.95 33.33 1g40 s ARG 66 CO -0.02 0.33 1.16 0.00 0.00 0.00 0.00 175.30 176.78 1g40 n PRO 68 N 5.37 -2.44 -1.64 0.00 -0.02 -1.26 -4.46 135.00 130.55 1g40 n PRO 68 Ca 0.11 -0.53 -0.45 0.00 -2.02 0.00 0.00 63.50 60.61 1g40 n PRO 68 Cb 0.46 -0.60 -0.04 0.00 -0.02 0.00 0.00 33.50 33.31 1g40 n PRO 68 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1g40 n SER 69 N -3.81 3.55 -4.72 2.55 3.41 -1.26 -4.74 113.62 108.59 1g40 n SER 69 Ca 0.05 0.74 -0.38 0.00 -0.26 0.00 0.00 58.87 59.01 1g40 n SER 69 Cb 0.20 -1.45 0.05 0.00 -0.26 0.00 0.00 64.21 62.74 1g40 n SER 69 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1g40 n PRO 70 N 7.54 1.49 -1.62 4.33 -0.04 -1.26 -4.88 135.00 140.56 1g40 n PRO 70 Ca 0.25 0.55 -0.50 0.00 -0.04 0.00 0.00 63.50 63.76 1g40 n PRO 70 Cb 0.36 -2.52 -0.05 0.00 -0.04 0.00 0.00 33.50 31.25 1g40 n PRO 70 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1g40 n ARG 71 N -1.17 1.46 -1.38 0.54 0.00 -1.26 -4.86 116.66 109.98 1g40 n ARG 71 Ca 0.12 0.53 -0.23 0.00 -0.00 0.00 0.00 57.85 58.26 1g40 n ARG 71 Cb 0.45 -2.21 0.10 0.00 -0.00 0.00 0.00 32.46 30.80 1g40 n ARG 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1g40 n ASP 72 N 2.93 5.22 -4.68 2.89 9.92 -1.26 -4.81 116.55 126.75 1g40 n ASP 72 Ca 0.18 -3.76 -0.45 0.00 -0.53 0.00 0.00 54.79 50.23 1g40 n ASP 72 Cb 0.22 -0.71 -0.04 0.00 -0.64 0.00 0.00 41.12 39.95 1g40 n ASP 72 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1g40 n ILE 73 N -0.94 0.01 -1.52 0.53 0.13 -1.26 -4.83 119.36 111.48 1g40 n ILE 73 Ca 0.51 -0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.81 1g40 n ILE 73 Cb 0.96 -1.69 -0.11 0.00 -0.84 0.00 0.00 39.64 37.97 1g40 n ILE 73 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 1g40 n ASP 74 N 3.65 1.01 -0.84 9.51 8.00 -1.26 -2.28 116.55 134.34 1g40 n ASP 74 Ca 0.17 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1g40 n ASP 74 Cb 0.31 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 1g40 n ASP 74 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1g40 n ASN 75 N 12.83 -1.52 -2.93 -2.24 3.02 -1.26 -4.77 115.26 118.39 1g40 n ASN 75 Ca 0.54 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 55.09 1g40 n ASN 75 Cb 0.27 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1g40 n ASN 75 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1g40 s GLY 76 N -2.57 -1.45 -0.18 7.41 0.00 -0.96 -4.11 107.32 105.46 1g40 s GLY 76 Ca 0.00 0.65 -0.05 0.00 0.00 0.00 0.00 44.72 45.33 1g40 s GLY 76 CO 0.00 4.00 -0.01 1.20 0.00 0.00 0.00 173.10 178.29 1g40 s GLN 77 N 1.74 3.66 -0.12 2.90 -0.21 -0.83 -4.32 119.66 122.48 1g40 s GLN 77 Ca 0.17 -0.51 -0.25 0.00 0.02 0.00 0.00 55.36 54.79 1g40 s GLN 77 Cb 0.01 -3.03 -0.02 0.00 1.00 0.00 0.00 33.01 30.97 1g40 s GLN 77 CO -0.11 0.11 0.79 -0.48 -2.12 0.00 0.00 175.29 173.49 1g40 s LEU 78 N 0.73 4.24 -0.64 2.90 -0.00 -1.26 -0.81 118.68 123.83 1g40 s LEU 78 Ca -0.00 1.21 -0.02 0.00 -0.00 0.00 0.00 54.13 55.32 1g40 s LEU 78 Cb -0.14 -3.20 0.31 0.00 -0.00 0.00 0.00 46.19 43.15 1g40 s LEU 78 CO 0.02 -0.28 2.18 0.47 -0.00 0.00 0.00 176.35 178.74 1g40 n ASP 79 N 4.59 7.24 0.00 1.48 8.00 -1.21 -4.63 116.55 132.02 1g40 n ASP 79 Ca 0.02 -3.59 0.00 0.00 0.71 0.00 0.00 54.79 51.93 1g40 n ASP 79 Cb 0.50 -1.07 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 1g40 n ASP 79 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1g40 n ILE 80 N -0.26 0.00 0.00 0.53 2.08 -1.26 -4.95 119.36 115.50 1g40 n ILE 80 Ca 0.52 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.83 1g40 n ILE 80 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.36 1g40 n ILE 80 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1g40 n GLY 81 N 2.33 2.12 3.91 7.39 0.00 -1.26 -5.15 105.19 114.53 1g40 n GLY 81 Ca 0.00 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1g40 n GLY 81 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g40 s GLY 82 N 0.00 2.20 0.21 -0.02 0.00 -1.26 -4.82 107.32 103.63 1g40 s GLY 82 Ca 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 44.72 43.92 1g40 s GLY 82 CO 0.00 -0.70 0.20 0.54 0.00 0.00 0.00 173.10 173.14 1g40 s VAL 83 N -1.46 0.00 0.00 1.40 0.11 -1.26 -5.08 120.40 114.11 1g40 s VAL 83 Ca 0.33 -1.88 0.00 0.00 -2.93 0.00 0.00 61.98 57.50 1g40 s VAL 83 Cb -0.13 -2.44 0.00 0.00 -1.53 0.00 0.00 36.38 32.28 1g40 s VAL 83 CO 0.24 0.00 0.06 0.47 -3.33 0.00 0.00 175.10 172.55 1g40 n ASP 84 N -0.31 0.00 -0.46 3.54 8.00 -1.26 -2.81 116.55 123.25 1g40 n ASP 84 Ca 0.01 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1g40 n ASP 84 Cb 0.65 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1g40 n ASP 84 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1g40 n PHE 85 N -0.60 0.00 -3.38 1.24 -0.00 -1.26 -1.83 117.46 111.63 1g40 n PHE 85 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.19 1g40 n PHE 85 Cb 0.00 0.22 -0.09 0.00 -0.00 0.00 0.00 39.48 39.62 1g40 n PHE 85 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1g40 n GLY 86 N 0.00 3.22 3.47 7.13 0.00 -1.26 -4.74 105.19 113.01 1g40 n GLY 86 Ca 0.00 -1.88 0.01 0.00 0.00 0.00 0.00 46.02 44.16 1g40 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g40 s SER 87 N -1.17 -0.33 -0.44 1.61 1.04 -1.26 -5.05 113.70 108.10 1g40 s SER 87 Ca 0.34 0.48 -0.20 0.00 0.48 0.00 0.00 55.95 57.06 1g40 s SER 87 Cb 0.11 1.27 0.03 0.00 0.10 0.00 0.00 66.02 67.52 1g40 s SER 87 CO -0.12 -0.07 0.58 -0.94 0.98 0.00 0.00 173.24 173.67 1g40 s SER 88 N 1.76 6.28 -0.21 7.02 1.04 -1.26 -4.40 113.70 123.92 1g40 s SER 88 Ca -0.05 -0.50 -0.17 0.00 0.48 0.00 0.00 55.95 55.72 1g40 s SER 88 Cb -0.03 -2.29 -0.04 0.00 0.10 0.00 0.00 66.02 63.76 1g40 s SER 88 CO -0.15 -0.74 0.45 0.27 0.98 0.00 0.00 173.24 174.06 1g40 s ILE 89 N 2.61 5.15 0.16 -1.02 -5.25 -0.50 -4.86 121.20 117.49 1g40 s ILE 89 Ca 0.19 0.81 -0.28 0.00 -0.99 0.00 0.00 60.65 60.37 1g40 s ILE 89 Cb -0.15 -3.78 -0.07 0.00 2.95 0.00 0.00 42.46 41.40 1g40 s ILE 89 CO 0.17 0.20 0.88 -0.89 -1.79 0.00 0.00 174.94 173.51 1g40 s THR 90 N 1.60 4.33 -0.37 8.37 2.01 -1.26 -0.94 115.64 129.39 1g40 s THR 90 Ca 0.21 1.94 -0.16 0.00 0.31 0.00 0.00 61.69 63.98 1g40 s THR 90 Cb -0.15 -4.26 -0.00 0.00 0.01 0.00 0.00 72.50 68.10 1g40 s THR 90 CO 0.09 0.44 0.42 -0.31 -0.69 0.00 0.00 174.62 174.57 1g40 s TYR 91 N -0.73 3.19 -0.08 4.92 1.51 -1.26 -3.33 117.35 121.57 1g40 s TYR 91 Ca 0.41 -0.08 -0.27 0.00 -1.01 0.00 0.00 57.07 56.11 1g40 s TYR 91 Cb -0.24 -2.79 -0.02 0.00 -0.11 0.00 0.00 41.96 38.80 1g40 s TYR 91 CO 0.29 -0.53 0.89 -1.54 -1.11 0.00 0.00 175.55 173.54 1g40 s SER 92 N 1.76 7.15 0.22 2.29 1.04 0.01 -4.85 113.70 121.32 1g40 s SER 92 Ca 0.13 1.40 0.08 0.00 0.48 0.00 0.00 55.95 58.05 1g40 s SER 92 Cb -0.16 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 1g40 s SER 92 CO 0.13 -0.31 0.02 0.00 0.98 0.00 0.00 173.24 174.06 1g40 s ASN 94 N -3.35 6.44 -0.39 0.00 -0.87 -1.26 -4.98 114.94 110.52 1g40 s ASN 94 Ca 0.30 0.51 -0.36 0.00 -1.57 0.00 0.00 52.86 51.74 1g40 s ASN 94 Cb -0.08 -2.18 -0.15 0.00 -0.02 0.00 0.00 41.25 38.82 1g40 s ASN 94 CO 0.20 0.11 1.38 -1.54 -2.57 0.00 0.00 177.10 174.68 1g40 n SER 95 N 3.49 0.83 0.00 -1.22 3.41 -1.26 -3.37 113.62 115.50 1g40 n SER 95 Ca -0.12 0.80 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1g40 n SER 95 Cb 0.52 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1g40 n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g40 n GLY 96 N 3.98 1.47 3.48 5.00 0.00 -1.26 -4.00 105.19 113.87 1g40 n GLY 96 Ca 0.30 -0.40 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 1g40 n GLY 96 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1g40 n TYR 97 N 0.00 0.19 -4.63 1.61 4.02 -1.22 -4.94 117.16 112.19 1g40 n TYR 97 Ca 0.00 0.79 -0.34 0.00 -0.01 0.00 0.00 57.90 58.35 1g40 n TYR 97 Cb 0.00 -2.08 -0.11 0.00 -0.02 0.00 0.00 39.34 37.13 1g40 n TYR 97 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1g40 s HIS 98 N -1.12 2.93 -0.13 -0.72 3.76 -0.63 -4.73 115.29 114.65 1g40 s HIS 98 Ca 0.61 -0.02 -0.29 0.00 -0.15 0.00 0.00 55.06 55.21 1g40 s HIS 98 Cb -0.78 -1.72 -0.03 0.00 1.11 0.00 0.00 32.58 31.16 1g40 s HIS 98 CO 0.58 0.29 1.45 -0.51 -0.85 0.00 0.00 174.74 175.70 1g40 s LEU 99 N -0.72 4.20 -0.91 0.89 1.43 -1.26 -0.21 118.68 122.10 1g40 s LEU 99 Ca 0.11 1.88 -0.15 0.00 -1.03 0.00 0.00 54.13 54.93 1g40 s LEU 99 Cb -0.11 -3.54 0.19 0.00 0.03 0.00 0.00 46.19 42.76 1g40 s LEU 99 CO 0.02 -0.88 0.96 -0.63 0.23 0.00 0.00 176.35 176.04 1g40 s ILE 100 N 3.90 5.28 -5.00 -0.59 1.01 -1.02 -4.87 121.20 119.91 1g40 s ILE 100 Ca 0.64 -2.22 0.00 0.00 0.00 0.00 0.00 60.65 59.07 1g40 s ILE 100 Cb -0.26 -4.62 0.00 0.00 0.01 0.00 0.00 42.46 37.59 1g40 s ILE 100 CO 0.22 -1.25 0.00 0.61 0.00 0.00 0.00 174.94 174.52 1g40 n GLY 101 N 4.46 0.42 3.76 6.18 0.00 -1.26 -4.68 105.19 114.07 1g40 n GLY 101 Ca 0.20 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 1g40 n GLY 101 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1g40 s GLU 102 N -1.39 4.24 -1.03 1.61 -6.30 -1.26 -4.92 118.70 109.65 1g40 s GLU 102 Ca 0.00 2.36 -0.16 0.00 -2.50 0.00 0.00 54.97 54.67 1g40 s GLU 102 Cb 0.00 -3.06 0.16 0.00 0.00 0.00 0.00 34.13 31.22 1g40 s GLU 102 CO 0.00 -0.40 1.21 0.45 0.02 0.00 0.00 175.26 176.54 1g40 s SER 103 N 0.06 6.83 0.00 -1.70 0.15 -1.26 -4.73 113.70 113.04 1g40 s SER 103 Ca 0.56 -2.50 0.00 0.00 0.70 0.00 0.00 55.95 54.71 1g40 s SER 103 Cb -0.43 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 1g40 s SER 103 CO 0.50 -0.88 0.00 0.29 1.20 0.00 0.00 173.24 174.35 1g40 n LYS 104 N 5.88 0.00 -4.78 5.44 5.02 -1.26 -4.81 118.16 123.64 1g40 n LYS 104 Ca 0.28 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.24 1g40 n LYS 104 Cb 0.46 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.34 1g40 n LYS 104 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1g40 s SER 105 N 0.00 4.13 -0.12 4.39 0.01 -0.12 -4.69 113.70 117.31 1g40 s SER 105 Ca 0.00 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1g40 s SER 105 Cb 0.00 -1.29 -0.02 0.00 0.21 0.00 0.00 66.02 64.93 1g40 s SER 105 CO 0.00 0.25 -0.13 -0.31 0.41 0.00 0.00 173.24 173.47 1g40 s TYR 106 N -0.18 2.81 0.02 2.43 1.51 -1.26 -1.42 117.35 121.26 1g40 s TYR 106 Ca 0.00 -0.52 -0.30 0.00 -1.01 0.00 0.00 57.07 55.24 1g40 s TYR 106 Cb -0.13 -1.81 -0.06 0.00 -0.11 0.00 0.00 41.96 39.84 1g40 s TYR 106 CO 0.03 -0.12 1.47 0.00 -1.11 0.00 0.00 175.55 175.82 1g40 n GLU 108 N 5.41 0.21 -0.33 0.00 -0.58 -0.64 -4.82 120.64 119.89 1g40 n GLU 108 Ca 0.14 0.05 -0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1g40 n GLU 108 Cb 0.43 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 1g40 n GLU 108 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1g40 n LEU 109 N 8.83 0.00 -0.20 -4.62 -0.00 -1.26 -4.28 117.00 115.47 1g40 n LEU 109 Ca 0.55 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.53 1g40 n LEU 109 Cb 0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 1g40 n LEU 109 CO 0.87 -0.51 0.00 0.61 -0.00 0.00 0.00 177.39 178.36 1g40 n GLY 110 N 4.87 0.71 0.00 1.47 0.00 -1.26 -5.01 105.19 105.97 1g40 n GLY 110 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1g40 n GLY 110 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1g40 n SER 111 N -0.14 0.00 -1.42 1.61 7.64 -1.26 -3.31 113.62 116.73 1g40 n SER 111 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1g40 n SER 111 Cb 0.07 0.00 0.33 0.00 -1.01 0.00 0.00 64.21 63.59 1g40 n SER 111 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1g40 n THR 112 N -1.87 1.66 0.00 0.44 -1.04 -1.25 -4.90 114.28 107.31 1g40 n THR 112 Ca 0.00 -1.19 0.00 0.00 -2.04 0.00 0.00 64.05 60.82 1g40 n THR 112 Cb 0.00 0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 1g40 n THR 112 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1g40 n GLY 113 N 1.05 1.35 0.00 3.41 0.00 0.17 -4.34 105.19 106.83 1g40 n GLY 113 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1g40 n GLY 113 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1g40 n SER 114 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.17 113.62 113.21 1g40 n SER 114 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1g40 n SER 114 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1g40 n SER 114 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1g40 n MET 115 N -0.98 0.00 -2.91 4.33 0.00 -1.26 -4.72 117.12 111.57 1g40 n MET 115 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.35 1g40 n MET 115 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 1g40 n MET 115 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1g40 s VAL 116 N -0.49 4.42 0.89 1.12 1.01 -1.26 -4.47 120.40 121.62 1g40 s VAL 116 Ca 0.00 1.45 -0.13 0.00 0.00 0.00 0.00 61.98 63.30 1g40 s VAL 116 Cb 0.00 -3.76 0.16 0.00 0.00 0.00 0.00 36.38 32.78 1g40 s VAL 116 CO 0.00 -0.08 1.23 0.26 0.00 0.00 0.00 175.10 176.51 1g40 s TRP 117 N -1.88 1.86 -0.18 5.22 0.52 -1.26 -1.62 118.94 121.60 1g40 s TRP 117 Ca 0.54 0.29 -0.16 0.00 0.02 0.00 0.00 56.10 56.80 1g40 s TRP 117 Cb -0.13 -3.81 -0.06 0.00 -1.15 0.00 0.00 33.47 28.32 1g40 s TRP 117 CO 0.18 -2.31 -0.29 0.09 0.02 0.00 0.00 176.95 174.64 1g40 n ASN 118 N -3.51 1.91 -4.57 2.95 3.02 -0.10 -4.48 115.26 110.48 1g40 n ASN 118 Ca 0.14 0.41 -0.33 0.00 -0.03 0.00 0.00 54.58 54.77 1g40 n ASN 118 Cb 0.60 -0.79 -0.04 0.00 -0.61 0.00 0.00 39.78 38.94 1g40 n ASN 118 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1g40 s PRO 119 N -2.69 2.99 -0.20 3.52 0.02 -1.26 -4.42 135.00 132.96 1g40 s PRO 119 Ca -0.27 -1.05 -0.05 0.00 0.02 0.00 0.00 61.00 59.66 1g40 s PRO 119 Cb 0.05 -5.27 -0.20 0.00 0.02 0.00 0.00 34.50 29.10 1g40 s PRO 119 CO 0.39 -3.15 0.03 -1.91 -0.33 0.00 0.00 177.00 172.03 1g40 n GLU 120 N 8.59 0.68 0.00 5.54 0.00 -1.26 -4.95 120.64 129.24 1g40 n GLU 120 Ca 0.42 0.24 0.00 0.00 0.00 0.00 0.00 57.16 57.82 1g40 n GLU 120 Cb 0.47 -1.61 0.00 0.00 0.00 0.00 0.00 31.44 30.30 1g40 n GLU 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1g40 n ALA 121 N -3.27 0.00 -1.20 4.31 0.00 -1.26 -4.83 120.51 114.26 1g40 n ALA 121 Ca -0.40 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.57 1g40 n ALA 121 Cb 0.98 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.36 1g40 n ALA 121 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1g40 n PRO 122 N -0.42 0.00 -0.22 0.00 -0.02 -1.26 -4.97 135.00 128.11 1g40 n PRO 122 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.27 1g40 n PRO 122 Cb 0.00 -1.14 0.21 0.00 -0.02 0.00 0.00 33.50 32.55 1g40 n PRO 122 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1g40 n ILE 123 N 1.73 0.00 -2.65 4.25 2.08 -1.26 -4.24 119.36 119.26 1g40 n ILE 123 Ca 0.18 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 63.07 1g40 n ILE 123 Cb 0.03 -0.68 -0.03 0.00 -0.75 0.00 0.00 39.64 38.20 1g40 n ILE 123 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1g40 n GLU 125 N 8.76 0.10 -0.31 0.00 2.13 0.71 -4.60 120.64 127.44 1g40 n GLU 125 Ca 0.03 -0.29 0.00 0.00 0.66 0.00 0.00 57.16 57.57 1g40 n GLU 125 Cb 0.48 0.31 0.00 0.00 0.27 0.00 0.00 31.44 32.50 1g40 n GLU 125 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1g40 n SER 126 N -1.62 -0.53 -2.28 4.31 2.88 -1.26 -1.61 113.62 113.50 1g40 n SER 126 Ca -0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.51 1g40 n SER 126 Cb 0.07 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1g40 n SER 126 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1g40 n VAL 127 N 1.75 -7.92 -3.58 2.46 0.31 -1.26 -4.13 118.33 105.96 1g40 n VAL 127 Ca 0.00 0.87 -0.13 0.00 -0.01 0.00 0.00 64.34 65.08 1g40 n VAL 127 Cb 0.00 -5.91 -0.05 0.00 -0.91 0.00 0.00 33.84 26.97 1g40 n VAL 127 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1g40 s LYS 128 N -1.45 1.06 -0.10 5.55 0.00 -1.26 -4.03 119.74 119.50 1g40 s LYS 128 Ca 0.07 -0.41 0.03 0.00 0.00 0.00 0.00 55.97 55.66 1g40 s LYS 128 Cb -0.02 0.48 0.01 0.00 0.00 0.00 0.00 37.83 38.30 1g40 s LYS 128 CO 0.48 -0.40 -0.19 0.00 0.00 0.00 0.00 175.35 175.24 1g40 n GLN 130 N 3.89 0.75 -2.02 0.00 6.02 -1.26 -3.20 117.38 121.55 1g40 n GLN 130 Ca -0.20 -2.36 -0.42 0.00 -0.01 0.00 0.00 57.00 54.00 1g40 n GLN 130 Cb 0.52 -0.08 -0.03 0.00 1.02 0.00 0.00 30.24 31.68 1g40 n GLN 130 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1g40 s SER 131 N -3.60 6.63 0.54 1.08 0.15 -1.25 -4.47 113.70 112.79 1g40 s SER 131 Ca 0.40 2.16 -0.20 0.00 0.70 0.00 0.00 55.95 59.01 1g40 s SER 131 Cb -0.03 -2.53 -0.08 0.00 -1.71 0.00 0.00 66.02 61.67 1g40 s SER 131 CO 0.25 -0.97 0.86 -2.65 1.20 0.00 0.00 173.24 171.94 1g40 n PRO 132 N 7.19 0.92 -1.54 5.44 -0.02 -1.26 -5.01 135.00 140.71 1g40 n PRO 132 Ca 0.17 0.35 -0.31 0.00 -2.02 0.00 0.00 63.50 61.69 1g40 n PRO 132 Cb 0.43 -2.00 0.06 0.00 -0.02 0.00 0.00 33.50 31.97 1g40 n PRO 132 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1g40 s PRO 133 N -2.35 2.68 -0.11 0.52 0.04 -1.26 -4.94 135.00 129.58 1g40 s PRO 133 Ca 0.70 0.89 -0.27 0.00 0.04 0.00 0.00 61.00 62.36 1g40 s PRO 133 Cb -0.47 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 1g40 s PRO 133 CO 0.52 -1.26 0.91 -1.54 0.04 0.00 0.00 177.00 175.66 1g40 s SER 134 N -3.79 7.13 1.02 6.66 1.04 -1.26 -4.81 113.70 119.68 1g40 s SER 134 Ca 0.59 1.38 -0.15 0.00 0.48 0.00 0.00 55.95 58.25 1g40 s SER 134 Cb -0.14 -2.51 0.20 0.00 0.10 0.00 0.00 66.02 63.67 1g40 s SER 134 CO 0.55 -0.37 1.14 0.27 0.98 0.00 0.00 173.24 175.81 1g40 s ILE 135 N 1.80 1.89 -1.05 -1.02 -4.36 -1.25 -4.94 121.20 112.28 1g40 s ILE 135 Ca 0.44 0.00 -0.21 0.00 -0.26 0.00 0.00 60.65 60.62 1g40 s ILE 135 Cb -0.18 -2.64 0.08 0.00 1.25 0.00 0.00 42.46 40.97 1g40 s ILE 135 CO 0.17 0.00 1.41 -0.44 0.24 0.00 0.00 174.94 176.32 1g40 s SER 136 N -3.95 6.62 0.00 4.36 0.01 -1.26 -3.14 113.70 116.34 1g40 s SER 136 Ca 0.67 -1.85 0.00 0.00 1.31 0.00 0.00 55.95 56.09 1g40 s SER 136 Cb -0.13 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1g40 s SER 136 CO 0.55 -1.30 0.00 0.59 0.41 0.00 0.00 173.24 173.49 1g40 n ASN 137 N 8.01 -0.18 -3.70 2.44 4.13 -1.26 -4.57 115.26 120.12 1g40 n ASN 137 Ca 0.33 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.56 1g40 n ASN 137 Cb 0.49 -0.05 -0.01 0.00 -1.54 0.00 0.00 39.78 38.67 1g40 n ASN 137 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1g40 s GLY 138 N -1.56 -0.29 0.47 7.41 0.00 -1.19 -4.09 107.32 108.06 1g40 s GLY 138 Ca 0.00 0.36 0.04 0.00 0.00 0.00 0.00 44.72 45.12 1g40 s GLY 138 CO 0.00 0.07 0.08 0.50 0.00 0.00 0.00 173.10 173.75 1g40 s ARG 139 N -3.07 2.14 -0.12 2.90 3.00 -0.24 -3.79 118.95 119.77 1g40 s ARG 139 Ca 0.12 -2.17 0.03 0.00 0.00 0.00 0.00 55.73 53.71 1g40 s ARG 139 Cb -0.00 -1.71 0.00 0.00 0.00 0.00 0.00 34.95 33.24 1g40 s ARG 139 CO -0.00 -0.25 -0.22 -3.38 0.00 0.00 0.00 175.30 171.44 1g40 s HIS 140 N -2.77 2.63 0.13 -0.53 -3.43 -1.26 -0.50 115.29 109.56 1g40 s HIS 140 Ca 0.24 -1.14 0.09 0.00 -0.80 0.00 0.00 55.06 53.45 1g40 s HIS 140 Cb 0.04 -1.77 -0.04 0.00 -1.43 0.00 0.00 32.58 29.38 1g40 s HIS 140 CO 0.13 -0.49 -0.22 -0.80 -2.00 0.00 0.00 174.74 171.36 1g40 s ASN 141 N 0.55 2.91 -0.09 7.38 0.01 -1.23 -4.89 114.94 119.58 1g40 s ASN 141 Ca -0.13 -0.76 -0.31 0.00 -0.71 0.00 0.00 52.86 50.95 1g40 s ASN 141 Cb -0.17 -0.18 0.10 0.00 0.41 0.00 0.00 41.25 41.42 1g40 s ASN 141 CO 0.04 0.08 1.37 -0.83 -1.51 0.00 0.00 177.10 176.26 1g40 s GLY 142 N -2.20 -0.23 -0.11 0.66 0.00 -1.26 -4.33 107.32 99.83 1g40 s GLY 142 Ca 0.12 0.22 -0.27 0.00 0.00 0.00 0.00 44.72 44.79 1g40 s GLY 142 CO 0.06 6.27 0.84 -0.97 0.00 0.00 0.00 173.10 179.31 1g40 h TYR 143 N 2.00 -0.00 -5.15 1.90 0.05 -1.99 -3.47 116.97 110.30 1g40 h TYR 143 Ca -0.21 -0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.15 1g40 h TYR 143 Cb 1.17 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.87 1g40 h TYR 143 CO 1.34 0.86 -0.23 -0.85 -1.05 0.00 0.00 178.16 178.23 1g40 n GLU 144 N -4.67 0.98 -0.01 4.88 0.00 -1.26 -5.11 120.64 115.44 1g40 n GLU 144 Ca -0.09 -2.48 -0.01 0.00 0.00 0.00 0.00 57.16 54.58 1g40 n GLU 144 Cb 0.42 0.38 -0.00 0.00 0.00 0.00 0.00 31.44 32.24 1g40 n GLU 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1g40 n ASP 145 N -1.70 0.33 -4.74 -1.84 8.00 -1.26 -4.91 116.55 110.42 1g40 n ASP 145 Ca -0.05 0.13 -0.40 0.00 0.71 0.00 0.00 54.79 55.18 1g40 n ASP 145 Cb 0.45 -0.55 -0.05 0.00 -0.02 0.00 0.00 41.12 40.95 1g40 n ASP 145 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1g40 s PHE 146 N -1.29 3.81 -0.58 1.24 0.08 -1.26 -3.84 117.98 116.13 1g40 s PHE 146 Ca -0.04 1.66 0.01 0.00 0.12 0.00 0.00 56.93 58.68 1g40 s PHE 146 Cb 0.01 -2.91 0.43 0.00 -0.57 0.00 0.00 43.02 39.97 1g40 s PHE 146 CO 0.06 0.30 1.68 0.66 -0.10 0.00 0.00 175.22 177.83 1g40 n TYR 147 N 2.50 3.08 -0.24 0.36 4.02 -1.19 -4.98 117.16 120.71 1g40 n TYR 147 Ca -0.01 -2.68 0.00 0.00 -0.01 0.00 0.00 57.90 55.19 1g40 n TYR 147 Cb 0.49 -0.91 0.00 0.00 -0.02 0.00 0.00 39.34 38.90 1g40 n TYR 147 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1g40 n THR 148 N -0.72 0.00 0.00 -0.72 -2.24 -1.26 -4.52 114.28 104.83 1g40 n THR 148 Ca 0.53 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.31 1g40 n THR 148 Cb 0.65 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1g40 n THR 148 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1g40 n ASP 149 N 3.24 0.00 -4.61 3.42 2.03 -1.26 -0.31 116.55 119.06 1g40 n ASP 149 Ca 0.00 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.87 1g40 n ASP 149 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1g40 n ASP 149 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1g40 n GLY 150 N 5.00 1.25 3.71 0.27 0.00 -1.20 -4.72 105.19 109.50 1g40 n GLY 150 Ca 0.00 0.81 -0.08 0.00 0.00 0.00 0.00 46.02 46.75 1g40 n GLY 150 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g40 s SER 151 N 6.81 -0.21 -0.28 1.61 1.04 -1.25 -5.01 113.70 116.42 1g40 s SER 151 Ca 0.98 -0.69 -0.09 0.00 0.48 0.00 0.00 55.95 56.62 1g40 s SER 151 Cb -0.44 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 1g40 s SER 151 CO 0.40 -1.23 0.13 -0.69 0.98 0.00 0.00 173.24 172.82 1g40 s VAL 152 N -3.95 4.63 -0.19 5.02 1.01 -1.26 -3.48 120.40 122.19 1g40 s VAL 152 Ca 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1g40 s VAL 152 Cb -0.03 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1g40 s VAL 152 CO 0.06 0.22 -0.04 -0.69 0.00 0.00 0.00 175.10 174.65 1g40 s VAL 153 N 1.65 3.59 -0.11 2.92 1.01 -0.27 -4.85 120.40 124.34 1g40 s VAL 153 Ca 0.06 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1g40 s VAL 153 Cb -0.16 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1g40 s VAL 153 CO 0.06 0.45 0.10 -0.89 0.00 0.00 0.00 175.10 174.82 1g40 s THR 154 N 0.97 5.17 0.33 3.92 2.01 -1.26 0.08 115.64 126.86 1g40 s THR 154 Ca 0.00 0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.16 1g40 s THR 154 Cb -0.15 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1g40 s THR 154 CO 0.01 0.61 0.17 -0.31 -0.69 0.00 0.00 174.62 174.41 1g40 s TYR 155 N -0.99 2.77 0.35 4.92 1.51 -1.26 -3.56 117.35 121.09 1g40 s TYR 155 Ca 0.15 -0.34 0.09 0.00 -1.01 0.00 0.00 57.07 55.96 1g40 s TYR 155 Cb -0.12 -1.63 -0.06 0.00 -0.11 0.00 0.00 41.96 40.03 1g40 s TYR 155 CO 0.04 0.33 -0.05 -1.12 -1.11 0.00 0.00 175.55 173.64 1g40 s SER 156 N -3.87 3.89 0.33 2.29 0.01 0.34 -4.84 113.70 111.85 1g40 s SER 156 Ca 0.38 -1.15 0.04 0.00 1.31 0.00 0.00 55.95 56.52 1g40 s SER 156 Cb -0.04 -0.41 -0.07 0.00 0.21 0.00 0.00 66.02 65.72 1g40 s SER 156 CO 0.23 -0.25 0.05 0.00 0.41 0.00 0.00 173.24 173.69 1g40 s ASN 158 N -3.51 4.26 -0.89 0.00 0.01 -1.26 -4.77 114.94 108.78 1g40 s ASN 158 Ca 0.36 0.42 -0.24 0.00 -0.71 0.00 0.00 52.86 52.69 1g40 s ASN 158 Cb 0.09 -0.85 -0.01 0.00 0.41 0.00 0.00 41.25 40.89 1g40 s ASN 158 CO 0.16 -1.99 1.72 -0.44 -1.51 0.00 0.00 177.10 175.04 1g40 s SER 159 N -4.65 5.67 0.00 -1.22 0.01 -1.26 -2.83 113.70 109.42 1g40 s SER 159 Ca 0.65 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 57.13 1g40 s SER 159 Cb -0.09 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1g40 s SER 159 CO 0.48 -2.23 0.00 0.61 0.41 0.00 0.00 173.24 172.51 1g40 n GLY 160 N 6.60 0.42 3.46 3.44 0.00 -1.26 -5.16 105.19 112.70 1g40 n GLY 160 Ca 0.32 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.18 1g40 n GLY 160 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g40 s TYR 161 N -0.71 -0.56 0.04 1.61 1.51 -1.13 -4.76 117.35 113.36 1g40 s TYR 161 Ca 0.00 0.87 0.05 0.00 -1.01 0.00 0.00 57.07 56.98 1g40 s TYR 161 Cb 0.00 0.38 -0.02 0.00 -0.11 0.00 0.00 41.96 42.20 1g40 s TYR 161 CO 0.00 -0.61 -0.15 -1.12 -1.11 0.00 0.00 175.55 172.56 1g40 s SER 162 N -1.44 1.74 0.17 2.29 0.01 0.22 -4.78 113.70 111.91 1g40 s SER 162 Ca -0.10 -0.46 -0.21 0.00 1.31 0.00 0.00 55.95 56.49 1g40 s SER 162 Cb -0.01 -0.11 -0.08 0.00 0.21 0.00 0.00 66.02 66.03 1g40 s SER 162 CO 0.06 0.04 0.70 -0.76 0.41 0.00 0.00 173.24 173.70 1g40 s LEU 163 N -1.15 4.47 -0.25 2.44 2.01 -1.26 -0.84 118.68 124.10 1g40 s LEU 163 Ca 0.02 1.45 0.01 0.00 0.01 0.00 0.00 54.13 55.63 1g40 s LEU 163 Cb -0.08 -3.34 0.05 0.00 0.01 0.00 0.00 46.19 42.83 1g40 s LEU 163 CO 0.01 0.15 -0.09 -0.63 1.01 0.00 0.00 176.35 176.79 1g40 s ILE 164 N -1.31 2.43 0.00 -0.59 -1.09 -0.45 -4.07 121.20 116.11 1g40 s ILE 164 Ca 0.37 -1.39 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 1g40 s ILE 164 Cb -0.19 -2.34 0.00 0.00 -1.58 0.00 0.00 42.46 38.35 1g40 s ILE 164 CO 0.22 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.61 1g40 n GLY 165 N 4.53 2.44 0.08 6.18 0.00 -1.26 -2.51 105.19 114.64 1g40 n GLY 165 Ca -0.15 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1g40 n GLY 165 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1g40 h ASN 166 N 0.00 0.00 0.00 1.61 -1.24 -1.93 -3.39 115.58 110.63 1g40 h ASN 166 Ca 0.00 -0.47 0.00 0.00 0.71 0.00 0.00 56.30 56.54 1g40 h ASN 166 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1g40 h ASN 166 CO 0.00 1.04 0.00 -1.54 -1.29 0.00 0.00 177.43 175.64 1g40 n SER 167 N -4.58 0.00 0.00 1.15 3.41 -1.26 -4.86 113.62 107.48 1g40 n SER 167 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1g40 n SER 167 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1g40 n SER 167 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g40 n GLY 168 N 0.00 3.55 3.55 5.00 0.00 -1.26 -4.93 105.19 111.10 1g40 n GLY 168 Ca 0.00 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 1g40 n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g40 s VAL 169 N -2.00 3.75 -0.23 1.61 1.01 0.11 -4.83 120.40 119.82 1g40 s VAL 169 Ca 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1g40 s VAL 169 Cb 0.00 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1g40 s VAL 169 CO 0.00 0.57 0.06 -0.22 0.00 0.00 0.00 175.10 175.50 1g40 s LEU 170 N -0.44 3.47 -0.33 3.92 2.96 -1.26 -1.11 118.68 125.88 1g40 s LEU 170 Ca 0.07 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 53.74 1g40 s LEU 170 Cb -0.12 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.68 1g40 s LEU 170 CO 0.02 0.02 0.12 0.00 -1.32 0.00 0.00 176.35 175.19 1g40 n SER 172 N 4.87 2.93 0.00 0.00 2.88 -1.11 -3.25 113.62 119.94 1g40 n SER 172 Ca -0.13 -3.27 0.00 0.00 -1.33 0.00 0.00 58.87 54.14 1g40 n SER 172 Cb 0.46 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1g40 n SER 172 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1g40 n GLY 173 N 1.00 0.95 0.00 0.46 0.00 -1.26 -4.66 105.19 101.67 1g40 n GLY 173 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1g40 n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g40 n GLY 174 N -0.50 0.77 3.15 -0.02 0.00 -1.24 -4.43 105.19 102.92 1g40 n GLY 174 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1g40 n GLY 174 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g40 s GLU 175 N 0.47 0.42 -0.32 1.61 2.02 -1.26 -5.12 118.70 116.52 1g40 s GLU 175 Ca 0.00 0.90 -0.24 0.00 0.02 0.00 0.00 54.97 55.65 1g40 s GLU 175 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.39 1g40 s GLU 175 CO 0.00 -0.48 0.82 -1.58 0.02 0.00 0.00 175.26 174.03 1g40 s TRP 176 N 2.68 3.18 -0.63 1.61 0.52 -1.26 -2.73 118.94 122.31 1g40 s TRP 176 Ca 0.09 0.79 0.05 0.00 0.02 0.00 0.00 56.10 57.05 1g40 s TRP 176 Cb -0.14 -3.31 0.32 0.00 -1.15 0.00 0.00 33.47 29.19 1g40 s TRP 176 CO -0.17 -0.62 0.97 -1.13 0.02 0.00 0.00 176.95 176.02 1g40 n SER 177 N 6.32 4.56 0.00 2.95 3.41 -0.22 -4.81 113.62 125.84 1g40 n SER 177 Ca 0.04 -3.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.02 1g40 n SER 177 Cb 0.48 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1g40 n SER 177 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1g40 n ASP 178 N 0.01 0.00 -4.64 4.04 2.03 -1.26 -4.54 116.55 112.19 1g40 n ASP 178 Ca 0.32 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.20 1g40 n ASP 178 Cb 0.39 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.76 1g40 n ASP 178 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1g40 s PRO 179 N 0.00 4.05 -0.17 -0.67 0.04 -1.26 -4.38 135.00 132.62 1g40 s PRO 179 Ca 0.00 1.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.80 1g40 s PRO 179 Cb 0.00 -3.74 -0.00 0.00 0.04 0.00 0.00 34.50 30.80 1g40 s PRO 179 CO 0.00 -0.91 0.99 -1.25 0.04 0.00 0.00 177.00 175.87 1g40 s PRO 180 N 3.65 4.33 -0.13 0.56 0.04 -1.26 -4.70 135.00 137.49 1g40 s PRO 180 Ca 0.45 1.31 -0.03 0.00 0.04 0.00 0.00 61.00 62.78 1g40 s PRO 180 Cb -0.12 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.80 1g40 s PRO 180 CO 0.16 -0.45 -0.05 0.95 0.04 0.00 0.00 177.00 177.65 1g40 s THR 181 N 2.53 3.84 -0.60 1.26 -4.23 -1.05 -4.84 115.64 112.56 1g40 s THR 181 Ca 0.45 -0.39 -0.23 0.00 -1.18 0.00 0.00 61.69 60.34 1g40 s THR 181 Cb -0.17 -2.66 0.05 0.00 1.34 0.00 0.00 72.50 71.07 1g40 s THR 181 CO 0.12 0.52 0.95 0.00 -0.54 0.00 0.00 174.62 175.67 1g40 s GLN 183 N 4.00 1.57 -1.10 0.00 -1.52 -0.02 -4.84 119.66 117.76 1g40 s GLN 183 Ca 0.26 -1.48 -0.07 0.00 -1.95 0.00 0.00 55.36 52.13 1g40 s GLN 183 Cb -0.14 -1.89 0.29 0.00 -0.22 0.00 0.00 33.01 31.05 1g40 s GLN 183 CO 0.15 0.41 1.28 -0.89 -0.25 0.00 0.00 175.29 175.99 1g40 n ILE 184 N 0.31 4.92 -3.75 1.08 -0.00 -1.26 -0.61 119.36 120.05 1g40 n ILE 184 Ca -0.13 -5.63 -0.12 0.00 -0.00 0.00 0.00 62.75 56.87 1g40 n ILE 184 Cb 0.56 -2.36 -0.13 0.00 -0.00 0.00 0.00 39.64 37.71 1g40 n ILE 184 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 1g40 s VAL 185 N -1.95 -0.03 -0.01 1.39 -7.23 -1.26 -4.92 120.40 106.39 1g40 s VAL 185 Ca 0.31 0.10 0.06 0.00 -1.81 0.00 0.00 61.98 60.64 1g40 s VAL 185 Cb -0.03 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.51 1g40 s VAL 185 CO 0.00 0.04 -0.19 -0.54 -0.31 0.00 0.00 175.10 174.11 1g40 s LYS 186 N 0.92 2.24 0.03 4.82 3.01 -1.26 -4.73 119.74 124.76 1g40 s LYS 186 Ca -0.06 -0.86 -0.30 0.00 -1.01 0.00 0.00 55.97 53.73 1g40 s LYS 186 Cb -0.08 -2.22 -0.04 0.00 -1.01 0.00 0.00 37.83 34.48 1g40 s LYS 186 CO -0.06 0.58 1.02 0.00 0.51 0.00 0.00 175.35 177.40 1g40 s PRO 188 N 0.87 1.34 0.24 0.00 0.04 -1.26 -1.05 135.00 135.18 1g40 s PRO 188 Ca 0.53 -0.97 -0.31 0.00 0.04 0.00 0.00 61.00 60.28 1g40 s PRO 188 Cb -0.23 -2.20 -0.13 0.00 0.04 0.00 0.00 34.50 31.98 1g40 s PRO 188 CO 0.29 -1.75 1.52 0.72 0.04 0.00 0.00 177.00 177.82 1g40 n HIS 189 N -3.10 2.44 -2.16 0.56 8.25 -1.26 -4.86 115.22 115.09 1g40 n HIS 189 Ca 0.16 0.32 -0.42 0.00 -0.26 0.00 0.00 57.72 57.52 1g40 n HIS 189 Cb 0.60 -2.53 -0.03 0.00 1.12 0.00 0.00 29.99 29.15 1g40 n HIS 189 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1g40 s PRO 190 N -0.12 4.28 -0.64 -0.41 0.04 -1.26 -4.97 135.00 131.92 1g40 s PRO 190 Ca 0.69 2.06 -0.22 0.00 0.04 0.00 0.00 61.00 63.57 1g40 s PRO 190 Cb -0.59 -3.48 0.08 0.00 0.04 0.00 0.00 34.50 30.55 1g40 s PRO 190 CO 0.46 -0.56 0.89 0.95 0.04 0.00 0.00 177.00 178.79 1g40 s THR 191 N 2.04 4.46 -0.12 1.26 -4.23 -1.26 -4.97 115.64 112.82 1g40 s THR 191 Ca 0.66 -0.51 -0.12 0.00 -1.18 0.00 0.00 61.69 60.53 1g40 s THR 191 Cb -0.34 -4.63 0.03 0.00 1.34 0.00 0.00 72.50 68.90 1g40 s THR 191 CO 0.29 -1.36 0.34 -0.51 -0.54 0.00 0.00 174.62 172.84 1g40 s ILE 192 N 3.69 0.00 -0.05 2.99 2.07 -1.26 -4.67 121.20 123.97 1g40 s ILE 192 Ca 0.19 -0.04 0.12 0.00 -1.41 0.00 0.00 60.65 59.51 1g40 s ILE 192 Cb -0.19 -0.49 -0.18 0.00 0.13 0.00 0.00 42.46 41.73 1g40 s ILE 192 CO 0.09 -0.02 0.19 -1.20 -1.91 0.00 0.00 174.94 172.09 1g40 n SER 193 N 2.75 2.15 -0.06 4.50 7.64 -1.26 -4.68 113.62 124.66 1g40 n SER 193 Ca -0.14 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.75 1g40 n SER 193 Cb 0.57 1.30 0.01 0.00 -1.01 0.00 0.00 64.21 65.09 1g40 n SER 193 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1g40 n ASN 194 N -2.10 1.56 -3.74 6.43 3.02 -1.26 -4.91 115.26 114.25 1g40 n ASN 194 Ca -0.08 -1.48 -0.30 0.00 -0.03 0.00 0.00 54.58 52.69 1g40 n ASN 194 Cb 0.51 -0.01 -0.15 0.00 -0.61 0.00 0.00 39.78 39.53 1g40 n ASN 194 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1g40 s GLY 195 N -0.51 1.25 0.16 7.41 0.00 -1.26 -1.94 107.32 112.42 1g40 s GLY 195 Ca 0.02 -1.92 -0.30 0.00 0.00 0.00 0.00 44.72 42.52 1g40 s GLY 195 CO 0.02 1.57 1.01 -2.52 0.00 0.00 0.00 173.10 173.17 1g40 s TYR 196 N 1.31 3.77 -0.12 1.90 -0.85 -0.75 -4.56 117.35 118.05 1g40 s TYR 196 Ca 0.12 1.75 -0.27 0.00 -0.52 0.00 0.00 57.07 58.15 1g40 s TYR 196 Cb -0.19 -3.12 -0.02 0.00 0.38 0.00 0.00 41.96 39.01 1g40 s TYR 196 CO -0.18 -0.03 0.90 -0.48 -1.52 0.00 0.00 175.55 174.24 1g40 s LEU 197 N -0.36 4.24 -0.53 -3.49 -0.00 -1.26 -0.32 118.68 116.96 1g40 s LEU 197 Ca 0.47 1.37 0.04 0.00 -0.00 0.00 0.00 54.13 56.01 1g40 s LEU 197 Cb -0.26 -3.38 0.17 0.00 -0.00 0.00 0.00 46.19 42.72 1g40 s LEU 197 CO 0.32 -0.37 0.40 -0.55 -0.00 0.00 0.00 176.35 176.14 1g40 s SER 198 N 1.08 2.85 -0.37 1.48 0.15 -1.01 -4.82 113.70 113.06 1g40 s SER 198 Ca 0.44 -3.36 -0.04 0.00 0.70 0.00 0.00 55.95 53.68 1g40 s SER 198 Cb -0.18 -0.93 0.20 0.00 -1.71 0.00 0.00 66.02 63.41 1g40 s SER 198 CO 0.17 -0.14 0.99 -0.55 1.20 0.00 0.00 173.24 174.90 1g40 s SER 199 N -0.53 -0.59 -0.27 5.45 0.15 -1.26 -4.76 113.70 111.89 1g40 s SER 199 Ca 0.29 -0.56 -0.05 0.00 0.70 0.00 0.00 55.95 56.33 1g40 s SER 199 Cb -0.00 0.77 0.01 0.00 -1.71 0.00 0.00 66.02 65.08 1g40 s SER 199 CO -0.18 -0.04 0.32 0.61 1.20 0.00 0.00 173.24 175.16 1g40 n GLY 200 N 3.08 -0.92 3.54 9.45 0.00 -1.26 -4.48 105.19 114.60 1g40 n GLY 200 Ca 0.11 0.43 -0.43 0.00 0.00 0.00 0.00 46.02 46.13 1g40 n GLY 200 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1g40 s PHE 201 N -2.24 3.08 0.31 1.61 5.36 -1.26 -4.95 117.98 119.89 1g40 s PHE 201 Ca 0.08 0.14 0.09 0.00 -0.96 0.00 0.00 56.93 56.28 1g40 s PHE 201 Cb -0.02 -3.34 -0.05 0.00 -0.34 0.00 0.00 43.02 39.27 1g40 s PHE 201 CO 0.39 -0.81 0.02 0.15 -1.46 0.00 0.00 175.22 173.51 1g40 s LYS 202 N 2.88 2.20 -0.13 10.12 1.02 -1.26 -5.06 119.74 129.51 1g40 s LYS 202 Ca 0.25 -1.58 -0.19 0.00 0.02 0.00 0.00 55.97 54.47 1g40 s LYS 202 Cb -0.14 -2.06 -0.17 0.00 -0.52 0.00 0.00 37.83 34.95 1g40 s LYS 202 CO 0.18 0.23 0.45 0.00 -0.92 0.00 0.00 175.35 175.30 1g40 h ARG 203 N 1.81 0.00 -4.64 1.68 3.08 -1.96 -3.43 114.38 110.92 1g40 h ARG 203 Ca -0.43 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 58.97 1g40 h ARG 203 Cb 1.25 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.92 1g40 h ARG 203 CO 0.63 0.65 -0.77 0.45 -1.07 0.00 0.00 179.97 179.86 1g40 s SER 204 N -6.04 4.42 0.98 7.04 0.15 -1.26 -4.37 113.70 114.61 1g40 s SER 204 Ca -0.14 -1.62 -0.16 0.00 0.70 0.00 0.00 55.95 54.73 1g40 s SER 204 Cb -0.01 -1.47 0.21 0.00 -1.71 0.00 0.00 66.02 63.05 1g40 s SER 204 CO 0.45 -0.27 1.34 -0.31 1.20 0.00 0.00 173.24 175.65 1g40 s TYR 205 N 1.12 1.44 0.00 3.44 2.02 -0.22 -4.93 117.35 120.22 1g40 s TYR 205 Ca -0.01 0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 1g40 s TYR 205 Cb -0.19 -4.19 0.00 0.00 -0.40 0.00 0.00 41.96 37.18 1g40 s TYR 205 CO -0.07 -2.75 0.00 -1.13 -1.57 0.00 0.00 175.55 170.03 1g40 n SER 206 N -3.82 0.00 -3.03 2.29 3.41 -1.26 -2.27 113.62 108.94 1g40 n SER 206 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1g40 n SER 206 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1g40 n SER 206 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g40 n TYR 207 N 0.00 0.00 -3.07 7.33 4.19 -1.26 -2.62 117.16 121.73 1g40 n TYR 207 Ca 0.00 0.00 -0.39 0.00 3.31 0.00 0.00 57.90 60.82 1g40 n TYR 207 Cb 0.00 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 39.77 1g40 n TYR 207 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 1g40 s ASN 208 N -1.91 7.27 -0.01 2.98 2.20 -1.26 -4.21 114.94 120.00 1g40 s ASN 208 Ca 0.00 1.51 0.00 0.00 -0.94 0.00 0.00 52.86 53.43 1g40 s ASN 208 Cb 0.00 -2.45 0.02 0.00 -2.00 0.00 0.00 41.25 36.82 1g40 s ASN 208 CO 0.00 0.22 0.02 -1.81 -2.94 0.00 0.00 177.10 172.58 1g40 s ASP 209 N -1.04 0.07 -0.27 3.54 1.01 -1.26 -4.86 116.67 113.86 1g40 s ASP 209 Ca 0.34 0.02 0.09 0.00 0.71 0.00 0.00 52.55 53.71 1g40 s ASP 209 Cb -0.22 -0.06 0.45 0.00 1.01 0.00 0.00 42.92 44.11 1g40 s ASP 209 CO 0.24 -0.09 1.19 -3.20 0.21 0.00 0.00 175.17 173.52 1g40 n ASN 210 N 3.84 4.05 -4.70 0.27 4.05 -1.13 -1.75 115.26 119.89 1g40 n ASN 210 Ca -0.23 -3.66 -0.56 0.00 0.45 0.00 0.00 54.58 50.58 1g40 n ASN 210 Cb 0.53 -0.38 -0.07 0.00 1.23 0.00 0.00 39.78 41.09 1g40 n ASN 210 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1g40 n VAL 211 N -0.77 0.34 -2.32 3.44 0.24 -1.23 -3.13 118.33 114.89 1g40 n VAL 211 Ca 0.36 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.34 62.17 1g40 n VAL 211 Cb 0.91 -1.32 -0.02 0.00 -1.47 0.00 0.00 33.84 31.94 1g40 n VAL 211 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1g40 s ASP 212 N 3.76 6.90 -0.42 -1.34 1.11 -1.26 -2.73 116.67 122.69 1g40 s ASP 212 Ca 0.98 1.88 -0.28 0.00 0.18 0.00 0.00 52.55 55.31 1g40 s ASP 212 Cb -1.02 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 40.44 1g40 s ASP 212 CO 0.64 -0.75 1.04 -0.36 1.18 0.00 0.00 175.17 176.92 1g40 s PHE 213 N 3.17 2.96 -0.31 4.23 0.08 -1.26 -2.40 117.98 124.46 1g40 s PHE 213 Ca 0.60 0.77 -0.22 0.00 0.12 0.00 0.00 56.93 58.20 1g40 s PHE 213 Cb -0.26 -4.02 -0.00 0.00 -0.57 0.00 0.00 43.02 38.17 1g40 s PHE 213 CO 0.20 -1.03 0.70 0.21 -0.10 0.00 0.00 175.22 175.20 1g40 s LYS 214 N 3.94 3.91 0.84 0.44 2.20 0.56 -4.88 119.74 126.76 1g40 s LYS 214 Ca 0.43 0.41 -0.11 0.00 -0.36 0.00 0.00 55.97 56.34 1g40 s LYS 214 Cb -0.10 -3.73 0.10 0.00 -1.51 0.00 0.00 37.83 32.59 1g40 s LYS 214 CO 0.24 -0.63 1.09 0.00 -0.36 0.00 0.00 175.35 175.70 1g40 s LYS 216 N -4.99 2.85 0.00 0.00 2.20 -0.82 -4.86 119.74 114.12 1g40 s LYS 216 Ca 0.62 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1g40 s LYS 216 Cb -0.17 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.79 1g40 s LYS 216 CO 0.56 -0.64 0.00 0.66 -0.36 0.00 0.00 175.35 175.57 1g40 n TYR 217 N -2.46 0.00 0.00 4.03 4.01 -1.26 -2.52 117.16 118.96 1g40 n TYR 217 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1g40 n TYR 217 Cb 0.58 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 1g40 n TYR 217 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1g40 n GLY 218 N 1.61 0.96 3.50 2.72 0.00 -1.26 -5.16 105.19 107.57 1g40 n GLY 218 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1g40 n GLY 218 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g40 s TYR 219 N -1.90 2.25 0.03 1.61 2.02 -1.05 -5.07 117.35 115.24 1g40 s TYR 219 Ca 0.00 -0.56 0.09 0.00 -0.37 0.00 0.00 57.07 56.22 1g40 s TYR 219 Cb 0.00 -1.29 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 1g40 s TYR 219 CO 0.00 0.48 -0.25 0.21 -1.57 0.00 0.00 175.55 174.42 1g40 s LYS 220 N -3.65 1.93 -0.09 -0.62 2.20 0.11 -4.86 119.74 114.75 1g40 s LYS 220 Ca 0.31 -1.04 -0.30 0.00 -0.36 0.00 0.00 55.97 54.59 1g40 s LYS 220 Cb 0.03 -2.03 -0.03 0.00 -1.51 0.00 0.00 37.83 34.29 1g40 s LYS 220 CO 0.15 0.53 1.30 -0.51 -0.36 0.00 0.00 175.35 176.46 1g40 s LEU 221 N -1.10 4.25 -0.86 5.43 2.01 -1.26 -0.50 118.68 126.64 1g40 s LEU 221 Ca 0.12 1.85 -0.00 0.00 0.01 0.00 0.00 54.13 56.10 1g40 s LEU 221 Cb -0.10 -3.55 0.22 0.00 0.01 0.00 0.00 46.19 42.78 1g40 s LEU 221 CO 0.02 -0.72 0.80 -0.24 1.01 0.00 0.00 176.35 177.22 1g40 n SER 222 N 6.02 4.18 0.00 2.29 2.88 -0.64 -4.92 113.62 123.43 1g40 n SER 222 Ca 0.13 -3.20 0.00 0.00 -1.33 0.00 0.00 58.87 54.47 1g40 n SER 222 Cb 0.45 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 1g40 n SER 222 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1g40 n GLY 223 N 2.02 -0.12 3.60 0.46 0.00 -1.26 -3.88 105.19 106.00 1g40 n GLY 223 Ca 0.23 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 1g40 n GLY 223 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1g40 s SER 224 N -4.00 0.65 -0.38 1.61 0.15 -1.26 -5.02 113.70 105.45 1g40 s SER 224 Ca 0.00 0.47 0.11 0.00 0.70 0.00 0.00 55.95 57.23 1g40 s SER 224 Cb 0.00 -0.58 0.35 0.00 -1.71 0.00 0.00 66.02 64.08 1g40 s SER 224 CO 0.00 -4.27 0.82 -1.20 1.20 0.00 0.00 173.24 169.79 1g40 n SER 225 N -4.84 0.31 0.00 5.45 7.64 -1.26 -4.78 113.62 116.15 1g40 n SER 225 Ca 0.15 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1g40 n SER 225 Cb 0.60 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1g40 n SER 225 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1g40 n SER 226 N 0.25 0.00 -3.61 6.43 3.41 -1.26 -4.44 113.62 114.40 1g40 n SER 226 Ca 0.20 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.60 1g40 n SER 226 Cb 0.68 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.47 1g40 n SER 226 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1g40 s SER 227 N 0.00 1.56 0.18 4.04 0.01 -1.11 -4.85 113.70 113.53 1g40 s SER 227 Ca 0.00 -0.19 -0.10 0.00 1.31 0.00 0.00 55.95 56.98 1g40 s SER 227 Cb 0.00 0.00 -0.07 0.00 0.21 0.00 0.00 66.02 66.17 1g40 s SER 227 CO 0.00 -0.30 0.50 -0.89 0.41 0.00 0.00 173.24 172.96 1g40 s THR 228 N 2.21 4.98 0.16 1.44 2.01 -0.71 -2.85 115.64 122.89 1g40 s THR 228 Ca 0.04 0.47 -0.21 0.00 0.31 0.00 0.00 61.69 62.29 1g40 s THR 228 Cb -0.14 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 68.65 1g40 s THR 228 CO -0.08 0.06 0.70 0.00 -0.69 0.00 0.00 174.62 174.61 1g40 s SER 230 N -1.36 2.18 0.60 0.00 0.01 -1.12 -4.66 113.70 109.36 1g40 s SER 230 Ca 0.37 -1.22 -0.18 0.00 1.31 0.00 0.00 55.95 56.22 1g40 s SER 230 Cb -0.19 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 65.95 1g40 s SER 230 CO 0.22 -0.46 1.20 -2.16 0.41 0.00 0.00 173.24 172.44 1g40 s PRO 231 N -3.82 2.93 2.47 12.44 0.04 -1.26 -4.31 135.00 143.49 1g40 s PRO 231 Ca 0.29 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1g40 s PRO 231 Cb 0.05 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1g40 s PRO 231 CO 0.10 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.32 1g40 n GLY 232 N 0.43 1.11 2.51 0.56 0.00 -1.26 -4.31 105.19 104.23 1g40 n GLY 232 Ca 0.13 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 1g40 n GLY 232 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1g40 n ASN 233 N 2.82 -1.39 -3.79 1.61 5.15 -1.26 -4.70 115.26 113.69 1g40 n ASN 233 Ca 0.00 -3.21 -0.13 0.00 -0.60 0.00 0.00 54.58 50.65 1g40 n ASN 233 Cb 0.00 0.84 -0.10 0.00 -0.53 0.00 0.00 39.78 39.99 1g40 n ASN 233 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1g40 s THR 234 N -0.40 0.04 -0.07 -0.44 -4.23 -1.26 -5.10 115.64 104.19 1g40 s THR 234 Ca 0.32 -0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.46 1g40 s THR 234 Cb 0.25 -0.48 -0.04 0.00 1.34 0.00 0.00 72.50 73.57 1g40 s THR 234 CO -0.14 -0.18 0.11 0.26 -0.54 0.00 0.00 174.62 174.13 1g40 s TRP 235 N -0.74 3.43 -0.10 3.99 0.52 -1.26 -2.78 118.94 121.99 1g40 s TRP 235 Ca -0.08 0.35 0.00 0.00 0.02 0.00 0.00 56.10 56.39 1g40 s TRP 235 Cb -0.04 -1.84 0.02 0.00 -1.15 0.00 0.00 33.47 30.46 1g40 s TRP 235 CO 0.02 0.62 -0.09 0.15 0.02 0.00 0.00 176.95 177.67 1g40 s LYS 236 N -1.33 1.63 0.02 4.98 1.02 -0.54 -1.57 119.74 123.95 1g40 s LYS 236 Ca 0.19 -0.32 -0.29 0.00 0.02 0.00 0.00 55.97 55.57 1g40 s LYS 236 Cb -0.12 -1.57 -0.04 0.00 -0.52 0.00 0.00 37.83 35.58 1g40 s LYS 236 CO 0.09 -0.18 0.92 -1.25 -0.92 0.00 0.00 175.35 174.01 1g40 s PRO 237 N 1.39 4.57 0.01 -1.68 0.04 -1.26 -3.76 135.00 134.32 1g40 s PRO 237 Ca -0.01 1.33 -0.09 0.00 0.04 0.00 0.00 61.00 62.28 1g40 s PRO 237 Cb -0.13 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 1g40 s PRO 237 CO -0.05 0.05 0.21 -1.91 0.04 0.00 0.00 177.00 175.35 1g40 n GLU 238 N 3.53 0.00 -1.49 4.56 4.07 -0.61 -4.70 120.64 126.00 1g40 n GLU 238 Ca 0.03 0.00 -0.61 0.00 -0.06 0.00 0.00 57.16 56.52 1g40 n GLU 238 Cb 0.51 -0.32 -0.10 0.00 -0.06 0.00 0.00 31.44 31.47 1g40 n GLU 238 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1g40 n LEU 239 N 0.38 1.26 -4.94 4.31 7.99 -1.26 -4.73 117.00 120.00 1g40 n LEU 239 Ca 0.05 0.87 -0.28 0.00 -0.01 0.00 0.00 56.01 56.64 1g40 n LEU 239 Cb 0.03 -0.96 0.14 0.00 -0.11 0.00 0.00 43.42 42.52 1g40 n LEU 239 CO 0.14 -0.75 0.76 -2.16 -1.51 0.00 0.00 177.39 173.87 1g40 s PRO 240 N 4.74 1.20 -0.04 3.23 0.04 -1.26 -4.96 135.00 137.95 1g40 s PRO 240 Ca 1.11 -0.52 0.02 0.00 0.04 0.00 0.00 61.00 61.66 1g40 s PRO 240 Cb -1.38 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 31.15 1g40 s PRO 240 CO 0.69 -1.96 -0.10 0.21 0.04 0.00 0.00 177.00 175.88 1g40 s LYS 241 N -5.60 1.18 -0.49 4.56 2.20 -1.25 -4.61 119.74 115.72 1g40 s LYS 241 Ca 0.69 -0.34 -0.20 0.00 -0.36 0.00 0.00 55.97 55.77 1g40 s LYS 241 Cb -0.06 -1.06 0.05 0.00 -1.51 0.00 0.00 37.83 35.25 1g40 s LYS 241 CO 0.49 0.09 0.66 0.00 -0.36 0.00 0.00 175.35 176.23