#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 -3.26 0.00 -1.17 0.00 -1.04 -1.26 -4.73 114.28 102.83 1g40 n THR 3 Ca 0.17 -2.13 -0.29 0.00 -2.04 0.00 0.00 64.05 59.76 1g40 n THR 3 Cb 0.60 0.07 0.20 0.00 -1.82 0.00 0.00 70.33 69.38 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 -2.64 1.85 0.40 12.58 -4.36 -1.26 -4.95 121.20 122.82 1g40 s ILE 4 Ca 0.23 0.00 -0.11 0.00 -0.26 0.00 0.00 60.65 60.51 1g40 s ILE 4 Cb -0.02 -2.51 -0.09 0.00 1.25 0.00 0.00 42.46 41.09 1g40 s ILE 4 CO 0.15 0.00 -0.19 -2.65 0.24 0.00 0.00 174.94 172.48 1g40 n PRO 5 N -4.39 0.00 -0.10 0.37 -0.02 -1.26 -5.01 135.00 124.59 1g40 n PRO 5 Ca 0.08 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.56 1g40 n PRO 5 Cb 0.58 -0.62 0.00 0.00 -0.02 0.00 0.00 33.50 33.45 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 1.72 0.00 -2.75 2.55 3.41 -1.26 -5.08 113.62 112.21 1g40 n SER 6 Ca 0.03 -1.01 -0.10 0.00 -0.26 0.00 0.00 58.87 57.53 1g40 n SER 6 Cb 0.31 -0.02 0.04 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.06 1.12 -4.10 4.33 1.74 -1.26 -5.11 116.66 112.33 1g40 n ARG 7 Ca 0.00 -2.92 -0.35 0.00 -0.77 0.00 0.00 57.85 53.80 1g40 n ARG 7 Cb 0.01 -1.06 -0.08 0.00 -1.02 0.00 0.00 32.46 30.30 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 -2.20 3.45 -0.41 5.56 0.04 -1.26 -5.04 135.00 135.13 1g40 s PRO 8 Ca 0.28 -0.30 -0.18 0.00 0.04 0.00 0.00 61.00 60.83 1g40 s PRO 8 Cb 0.42 -3.05 0.02 0.00 0.04 0.00 0.00 34.50 31.93 1g40 s PRO 8 CO -0.01 0.59 0.51 0.42 0.04 0.00 0.00 177.00 178.55 1g40 s ILE 9 N -0.53 5.00 -0.58 0.56 1.01 -1.26 -4.14 121.20 121.27 1g40 s ILE 9 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 1g40 s ILE 9 Cb -0.12 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 1g40 s ILE 9 CO 0.02 -0.44 0.53 0.59 0.00 0.00 0.00 174.94 175.64 1g40 n ASN 10 N 5.82 -5.80 -1.41 3.58 3.02 -1.26 -5.05 115.26 114.16 1g40 n ASN 10 Ca -0.05 -0.18 -0.03 0.00 -0.03 0.00 0.00 54.58 54.29 1g40 n ASN 10 Cb 0.48 -3.94 -0.01 0.00 -0.61 0.00 0.00 39.78 35.70 1g40 n ASN 10 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1g40 n MET 11 N -1.88 0.14 -2.64 3.52 2.81 -1.26 -4.83 117.12 112.98 1g40 n MET 11 Ca -0.01 -0.55 -0.42 0.00 -1.81 0.00 0.00 57.70 54.90 1g40 n MET 11 Cb 0.52 0.44 -0.03 0.00 -0.71 0.00 0.00 33.22 33.45 1g40 n MET 11 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1g40 s LYS 12 N -2.23 4.43 0.10 0.03 -2.85 -1.26 -4.25 119.74 113.72 1g40 s LYS 12 Ca 0.06 1.46 -0.08 0.00 -1.00 0.00 0.00 55.97 56.41 1g40 s LYS 12 Cb 0.00 -3.52 -0.06 0.00 -2.06 0.00 0.00 37.83 32.19 1g40 s LYS 12 CO 0.04 -0.29 0.40 -0.06 0.10 0.00 0.00 175.35 175.54 1g40 s PHE 13 N 1.85 3.54 -0.49 1.78 0.08 -0.76 -4.69 117.98 119.29 1g40 s PHE 13 Ca 0.51 0.72 -0.28 0.00 0.12 0.00 0.00 56.93 57.99 1g40 s PHE 13 Cb -0.20 -2.11 0.01 0.00 -0.57 0.00 0.00 43.02 40.14 1g40 s PHE 13 CO 0.21 0.48 1.50 0.15 -0.10 0.00 0.00 175.22 177.46 1g40 s LYS 14 N -2.17 3.34 -0.04 0.44 1.02 -1.26 -0.71 119.74 120.36 1g40 s LYS 14 Ca 0.36 0.75 -0.02 0.00 0.02 0.00 0.00 55.97 57.08 1g40 s LYS 14 Cb -0.13 -4.12 0.03 0.00 -0.52 0.00 0.00 37.83 33.08 1g40 s LYS 14 CO 0.20 -1.87 0.05 1.21 -0.92 0.00 0.00 175.35 174.02 1g40 s ASN 15 N 4.80 1.06 -0.10 2.83 2.47 -1.17 -4.97 114.94 119.85 1g40 s ASN 15 Ca 0.60 0.07 -0.01 0.00 0.42 0.00 0.00 52.86 53.94 1g40 s ASN 15 Cb -0.13 -0.15 0.00 0.00 -1.45 0.00 0.00 41.25 39.52 1g40 s ASN 15 CO 0.28 -0.23 0.02 -1.54 -3.72 0.00 0.00 177.10 171.91 1g40 n SER 16 N 5.17 -3.91 0.00 -4.21 3.41 -1.26 -4.78 113.62 108.04 1g40 n SER 16 Ca -0.06 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1g40 n SER 16 Cb 0.50 -2.38 0.00 0.00 -0.26 0.00 0.00 64.21 62.07 1g40 n SER 16 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1g40 n VAL 17 N 0.14 0.00 -3.16 -3.33 3.14 -1.26 -5.08 118.33 108.79 1g40 n VAL 17 Ca 0.00 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.42 1g40 n VAL 17 Cb 0.02 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 32.79 1g40 n VAL 17 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1g40 s GLU 18 N 0.00 0.56 -0.64 1.45 2.02 -1.26 -5.10 118.70 115.72 1g40 s GLU 18 Ca 0.00 0.62 -0.04 0.00 0.02 0.00 0.00 54.97 55.57 1g40 s GLU 18 Cb 0.00 0.28 0.17 0.00 0.10 0.00 0.00 34.13 34.68 1g40 s GLU 18 CO 0.00 -0.97 0.47 0.99 0.02 0.00 0.00 175.26 175.77 1g40 s THR 19 N 2.82 3.90 0.25 3.63 2.01 -1.26 -5.03 115.64 121.96 1g40 s THR 19 Ca 0.12 -2.89 0.05 0.00 0.31 0.00 0.00 61.69 59.28 1g40 s THR 19 Cb -0.11 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 1g40 s THR 19 CO -0.25 -0.89 0.33 -1.81 -0.69 0.00 0.00 174.62 171.30 1g40 s ASP 20 N 0.86 6.13 -0.09 3.53 1.01 -1.26 -5.05 116.67 121.80 1g40 s ASP 20 Ca 0.17 -0.01 -0.06 0.00 0.71 0.00 0.00 52.55 53.36 1g40 s ASP 20 Cb -0.19 -1.74 -0.04 0.00 1.01 0.00 0.00 42.92 41.95 1g40 s ASP 20 CO -0.04 -0.07 0.20 0.00 0.21 0.00 0.00 175.17 175.47 1g40 h ALA 21 N 1.24 -0.08 -3.44 5.23 0.00 -2.05 -3.43 119.26 116.73 1g40 h ALA 21 Ca -0.51 -0.08 -0.68 0.00 0.00 0.00 0.00 54.91 53.65 1g40 h ALA 21 Cb 1.23 0.03 -0.33 0.00 0.00 0.00 0.00 17.79 18.72 1g40 h ALA 21 CO 0.61 -0.08 -0.74 -0.80 0.00 0.00 0.00 179.25 178.23 1g40 s ASN 22 N -5.53 4.50 0.00 0.00 0.01 -1.26 -4.96 114.94 107.69 1g40 s ASN 22 Ca -0.04 -1.09 0.00 0.00 -0.71 0.00 0.00 52.86 51.03 1g40 s ASN 22 Cb -0.00 -1.66 0.00 0.00 0.41 0.00 0.00 41.25 40.00 1g40 s ASN 22 CO 0.12 -0.18 0.00 0.00 -1.51 0.00 0.00 177.10 175.53 1g40 n ALA 23 N 4.61 1.93 -1.65 0.60 0.00 -1.26 -5.10 120.51 119.64 1g40 n ALA 23 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1g40 n ALA 23 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.93 1.93 0.00 0.00 3.02 -1.26 -4.74 115.26 113.29 1g40 n ASN 24 Ca 0.00 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 1g40 n ASN 24 Cb 0.00 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 37.76 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 -0.10 -1.37 0.00 3.10 4.01 -1.26 -2.66 117.16 118.87 1g40 n TYR 25 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1g40 n TYR 25 Cb 0.37 0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 1g40 n TYR 25 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1g40 n ASN 26 N -1.85 0.00 0.00 7.72 3.02 -1.26 -1.68 115.26 121.21 1g40 n ASN 26 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1g40 n ASN 26 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1g40 n ASN 26 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1g40 n ILE 27 N -0.11 0.00 -3.41 2.41 -5.35 -1.26 -4.44 119.36 107.20 1g40 n ILE 27 Ca 0.00 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.29 1g40 n ILE 27 Cb 0.00 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 37.80 1g40 n ILE 27 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1g40 s GLY 28 N -0.03 0.02 -0.38 3.28 0.00 -1.26 -4.94 107.32 104.01 1g40 s GLY 28 Ca 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.11 1g40 s GLY 28 CO 0.00 2.56 0.16 0.99 0.00 0.00 0.00 173.10 176.81 1g40 s ASP 29 N 2.09 3.92 -0.43 1.64 1.01 -1.26 -5.07 116.67 118.57 1g40 s ASP 29 Ca 0.11 -2.19 -0.12 0.00 0.71 0.00 0.00 52.55 51.05 1g40 s ASP 29 Cb -0.15 -1.04 0.07 0.00 1.01 0.00 0.00 42.92 42.81 1g40 s ASP 29 CO -0.26 -0.34 0.31 -0.89 0.21 0.00 0.00 175.17 174.20 1g40 s THR 30 N 0.90 4.74 -0.19 -1.27 2.01 -1.25 -3.50 115.64 117.07 1g40 s THR 30 Ca 0.14 -1.15 -0.09 0.00 0.31 0.00 0.00 61.69 60.90 1g40 s THR 30 Cb -0.21 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 1g40 s THR 30 CO -0.10 -0.48 0.12 -0.63 -0.69 0.00 0.00 174.62 172.83 1g40 s ILE 31 N 1.54 5.28 0.06 1.82 1.01 -0.15 -4.92 121.20 125.84 1g40 s ILE 31 Ca 0.03 0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.67 1g40 s ILE 31 Cb -0.23 -3.40 -0.06 0.00 0.01 0.00 0.00 42.46 38.79 1g40 s ILE 31 CO 0.05 0.46 0.48 -1.61 0.00 0.00 0.00 174.94 174.32 1g40 s GLU 32 N 0.25 3.99 -0.14 2.79 2.02 -1.26 -1.47 118.70 124.88 1g40 s GLU 32 Ca 0.08 0.49 -0.06 0.00 0.02 0.00 0.00 54.97 55.49 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 0.61 0.08 0.71 0.02 0.00 0.00 175.26 176.67 1g40 s TYR 33 N -1.21 3.37 -0.24 1.61 2.02 -1.26 -3.06 117.35 118.57 1g40 s TYR 33 Ca 0.29 0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 57.26 1g40 s TYR 33 Cb -0.17 -1.97 0.02 0.00 -0.40 0.00 0.00 41.96 39.44 1g40 s TYR 33 CO 0.17 0.44 -0.06 -0.51 -1.57 0.00 0.00 175.55 174.02 1g40 s LEU 34 N -0.40 3.11 0.78 -1.29 1.43 0.11 -4.89 118.68 117.54 1g40 s LEU 34 Ca 0.10 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 1g40 s LEU 34 Cb -0.12 -1.68 0.06 0.00 0.03 0.00 0.00 46.19 44.48 1g40 s LEU 34 CO 0.02 -0.10 1.09 0.00 0.23 0.00 0.00 176.35 177.58 1g40 s LEU 36 N -5.75 3.69 0.00 0.00 2.01 -1.26 -4.82 118.68 112.55 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 -4.49 0.00 0.00 0.01 0.00 0.00 46.19 41.57 1g40 s LEU 36 CO 0.54 -0.54 0.00 -2.65 1.01 0.00 0.00 176.35 174.72 1g40 n PRO 37 N -1.40 0.00 0.00 1.29 -0.02 -1.26 -1.24 135.00 132.36 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 3.38 -1.23 0.00 -1.26 -5.18 105.19 100.90 1g40 n GLY 38 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 1.95 0.07 1.61 2.02 -0.38 -4.91 117.35 117.71 1g40 s TYR 39 Ca 0.00 -0.46 0.09 0.00 -0.37 0.00 0.00 57.07 56.33 1g40 s TYR 39 Cb 0.00 -0.91 -0.03 0.00 -0.40 0.00 0.00 41.96 40.61 1g40 s TYR 39 CO 0.00 0.45 -0.22 1.03 -1.57 0.00 0.00 175.55 175.24 1g40 s ARG 40 N -3.23 1.83 0.54 -0.62 1.81 0.16 -4.84 118.95 114.60 1g40 s ARG 40 Ca 0.22 -1.12 -0.19 0.00 -1.72 0.00 0.00 55.73 52.92 1g40 s ARG 40 Cb -0.04 -2.07 -0.06 0.00 -0.45 0.00 0.00 34.95 32.33 1g40 s ARG 40 CO 0.09 0.51 1.09 0.15 -0.68 0.00 0.00 175.30 176.46 1g40 s LYS 41 N -1.61 3.46 0.28 3.54 1.02 -1.26 -0.45 119.74 124.71 1g40 s LYS 41 Ca 0.14 1.47 0.02 0.00 0.02 0.00 0.00 55.97 57.62 1g40 s LYS 41 Cb -0.10 -2.03 -0.05 0.00 -0.52 0.00 0.00 37.83 35.12 1g40 s LYS 41 CO 0.05 -0.74 0.08 -1.14 -0.92 0.00 0.00 175.35 172.69 1g40 s GLN 42 N -3.41 1.48 0.00 1.68 0.74 -0.59 0.45 119.66 120.00 1g40 s GLN 42 Ca 0.70 -1.80 0.00 0.00 0.05 0.00 0.00 55.36 54.30 1g40 s GLN 42 Cb -0.20 -0.44 0.00 0.00 1.10 0.00 0.00 33.01 33.47 1g40 s GLN 42 CO 0.27 -0.26 0.00 1.63 -0.55 0.00 0.00 175.29 176.38 1g40 n LYS 43 N -0.53 0.00 -0.71 1.67 5.02 -1.26 -2.68 118.16 119.67 1g40 n LYS 43 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1g40 n LYS 43 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 1g40 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g40 n MET 44 N 0.13 -0.67 -3.32 1.97 0.00 -1.23 -4.88 117.12 109.12 1g40 n MET 44 Ca 0.00 0.17 -0.25 0.00 0.00 0.00 0.00 57.70 57.61 1g40 n MET 44 Cb 0.00 -4.50 -0.08 0.00 0.00 0.00 0.00 33.22 28.65 1g40 n MET 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1g40 n GLY 45 N -1.04 3.55 0.17 3.17 0.00 -1.09 -4.99 105.19 104.97 1g40 n GLY 45 Ca 0.00 -2.03 -0.07 0.00 0.00 0.00 0.00 46.02 43.93 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 4.26 -0.41 -7.14 1.61 0.13 -1.81 -3.42 132.00 125.22 1g40 h PRO 46 Ca 0.14 0.03 -0.53 0.00 -0.87 0.00 0.00 66.00 64.76 1g40 h PRO 46 Cb 0.80 0.09 0.20 0.00 0.13 0.00 0.00 31.00 32.22 1g40 h PRO 46 CO 0.60 -0.27 0.10 -0.89 -0.23 0.00 0.00 178.00 177.31 1g40 n ILE 47 N -3.19 0.69 -1.21 -3.56 5.41 -1.26 -4.59 119.36 111.66 1g40 n ILE 47 Ca -0.05 -0.11 -0.19 0.00 1.00 0.00 0.00 62.75 63.40 1g40 n ILE 47 Cb 0.17 -0.99 0.14 0.00 -0.71 0.00 0.00 39.64 38.25 1g40 n ILE 47 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1g40 n TYR 48 N -3.79 -3.78 -2.52 1.39 4.01 -1.26 -4.97 117.16 106.24 1g40 n TYR 48 Ca 0.12 -0.68 -0.43 0.00 -0.16 0.00 0.00 57.90 56.74 1g40 n TYR 48 Cb 0.52 -0.69 -0.02 0.00 -0.31 0.00 0.00 39.34 38.84 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 -3.49 3.44 0.01 -0.72 0.00 -0.54 -4.69 121.76 115.77 1g40 s ALA 49 Ca 0.46 0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.52 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 0.34 -1.61 -0.14 0.15 0.00 0.00 0.00 175.76 174.50 1g40 s LYS 50 N 3.90 2.31 -0.40 0.00 1.02 -1.26 -0.98 119.74 124.33 1g40 s LYS 50 Ca 0.51 -0.84 -0.15 0.00 0.02 0.00 0.00 55.97 55.51 1g40 s LYS 50 Cb -0.15 -2.33 0.01 0.00 -0.52 0.00 0.00 37.83 34.85 1g40 s LYS 50 CO 0.19 0.58 0.34 0.00 -0.92 0.00 0.00 175.35 175.54 1g40 n THR 52 N 5.24 0.00 -0.11 0.00 -1.04 -1.26 -4.76 114.28 112.35 1g40 n THR 52 Ca -0.10 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.73 1g40 n THR 52 Cb 0.48 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.89 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 5.00 -0.31 0.03 3.41 0.00 -1.26 -4.46 105.19 107.59 1g40 n GLY 53 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 1g40 n GLY 53 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1g40 h THR 54 N -0.26 0.00 0.00 2.61 2.02 -2.00 -3.47 112.91 111.81 1g40 h THR 54 Ca -0.50 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1g40 h THR 54 Cb 1.65 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1g40 h THR 54 CO -0.16 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.34 1g40 n GLY 55 N 1.76 -0.15 3.42 2.16 0.00 -1.26 -5.07 105.19 106.05 1g40 n GLY 55 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 0.23 -0.52 -0.00 1.61 0.52 -1.26 -4.85 118.94 114.67 1g40 s TRP 56 Ca 0.00 0.37 0.14 0.00 0.02 0.00 0.00 56.10 56.63 1g40 s TRP 56 Cb 0.00 0.52 0.17 0.00 -1.15 0.00 0.00 33.47 33.01 1g40 s TRP 56 CO 0.00 -0.81 1.49 1.15 0.02 0.00 0.00 176.95 178.79 1g40 h THR 57 N 2.13 1.08 -2.71 2.01 2.02 -1.65 -3.39 112.91 112.39 1g40 h THR 57 Ca -0.33 -2.30 -0.59 0.00 0.77 0.00 0.00 66.41 63.95 1g40 h THR 57 Cb 1.29 2.38 -0.39 0.00 -1.74 0.00 0.00 68.15 69.69 1g40 h THR 57 CO 0.39 0.57 -0.82 -0.22 0.37 0.00 0.00 175.52 175.81 1g40 s LEU 58 N -6.71 1.75 0.58 2.58 2.96 -1.26 -4.99 118.68 113.58 1g40 s LEU 58 Ca 0.02 -2.50 -0.11 0.00 -0.22 0.00 0.00 54.13 51.32 1g40 s LEU 58 Cb 0.09 -0.66 -0.10 0.00 0.50 0.00 0.00 46.19 46.02 1g40 s LEU 58 CO 0.75 -0.27 -0.42 0.49 -1.32 0.00 0.00 176.35 175.58 1g40 n PHE 59 N 3.66 -3.09 -4.64 5.38 3.72 -1.26 -4.65 117.46 116.58 1g40 n PHE 59 Ca 0.13 0.06 -0.27 0.00 -0.05 0.00 0.00 57.45 57.32 1g40 n PHE 59 Cb 0.37 -1.00 -0.14 0.00 -0.94 0.00 0.00 39.48 37.78 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 -0.67 2.82 0.00 4.37 4.22 -1.26 -4.84 114.94 119.58 1g40 s ASN 60 Ca 0.30 -0.60 0.00 0.00 -2.14 0.00 0.00 52.86 50.42 1g40 s ASN 60 Cb -0.17 -0.22 0.00 0.00 1.28 0.00 0.00 41.25 42.13 1g40 s ASN 60 CO 0.52 0.18 0.00 0.00 -2.04 0.00 0.00 177.10 175.76 1g40 n GLN 61 N 1.59 0.00 -4.74 3.55 10.64 -1.26 -5.03 117.38 122.13 1g40 n GLN 61 Ca -0.17 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 54.75 1g40 n GLN 61 Cb 0.53 0.00 -0.16 0.00 -0.86 0.00 0.00 30.24 29.75 1g40 n GLN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1g40 n ILE 63 N 3.21 0.00 -3.72 0.00 3.06 0.41 -4.76 119.36 117.56 1g40 n ILE 63 Ca -0.18 0.00 -0.16 0.00 -2.50 0.00 0.00 62.75 59.90 1g40 n ILE 63 Cb 0.53 0.00 -0.16 0.00 0.54 0.00 0.00 39.64 40.55 1g40 n ILE 63 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 1g40 s LYS 64 N 1.25 -0.01 -0.11 9.51 2.20 -1.26 0.37 119.74 131.70 1g40 s LYS 64 Ca 0.00 0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 1g40 s LYS 64 Cb 0.00 -0.31 0.12 0.00 -1.51 0.00 0.00 37.83 36.13 1g40 s LYS 64 CO 0.00 -0.24 0.96 1.03 -0.36 0.00 0.00 175.35 176.74 1g40 s ARG 65 N 1.62 0.67 0.19 4.03 0.52 -1.26 -5.03 118.95 119.69 1g40 s ARG 65 Ca -0.03 -0.00 0.10 0.00 -0.52 0.00 0.00 55.73 55.28 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 -0.04 -0.24 -0.21 1.03 0.02 0.00 0.00 175.30 175.85 1g40 s ARG 66 N -1.80 1.42 -0.09 3.54 3.00 -1.26 -4.54 118.95 119.22 1g40 s ARG 66 Ca 0.00 -1.49 -0.30 0.00 0.00 0.00 0.00 55.73 53.95 1g40 s ARG 66 Cb -0.01 -1.61 -0.02 0.00 0.00 0.00 0.00 34.95 33.31 1g40 s ARG 66 CO -0.02 0.34 1.17 0.00 0.00 0.00 0.00 175.30 176.79 1g40 n PRO 68 N 5.39 -2.42 -1.64 0.00 -0.02 -1.26 -4.46 135.00 130.58 1g40 n PRO 68 Ca 0.11 -0.52 -0.45 0.00 -2.02 0.00 0.00 63.50 60.62 1g40 n PRO 68 Cb 0.46 -0.59 -0.04 0.00 -0.02 0.00 0.00 33.50 33.32 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 -3.80 3.56 -4.72 2.55 3.41 -1.26 -4.74 113.62 108.62 1g40 n SER 69 Ca 0.05 0.74 -0.38 0.00 -0.26 0.00 0.00 58.87 59.02 1g40 n SER 69 Cb 0.20 -1.46 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 7.53 1.47 -1.61 4.33 -0.04 -1.26 -4.88 135.00 140.54 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 -2.51 -0.05 0.00 -0.04 0.00 0.00 33.50 31.26 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 -1.18 1.43 -1.04 0.54 0.00 -1.26 -4.86 116.66 110.29 1g40 n ARG 71 Ca 0.12 0.52 -0.13 0.00 -0.00 0.00 0.00 57.85 58.36 1g40 n ARG 71 Cb 0.45 -2.19 0.17 0.00 -0.00 0.00 0.00 32.46 30.90 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 2.73 3.33 -4.63 2.89 9.92 -1.26 -4.81 116.55 124.71 1g40 n ASP 72 Ca 0.18 -3.75 -0.50 0.00 -0.53 0.00 0.00 54.79 50.19 1g40 n ASP 72 Cb 0.22 -0.70 -0.05 0.00 -0.64 0.00 0.00 41.12 39.95 1g40 n ASP 72 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1g40 n ILE 73 N -1.09 0.04 -1.52 0.53 -0.00 -1.26 -4.82 119.36 111.24 1g40 n ILE 73 Ca 0.43 -0.01 -0.39 0.00 -0.00 0.00 0.00 62.75 62.78 1g40 n ILE 73 Cb 1.17 -1.15 -0.09 0.00 -0.00 0.00 0.00 39.64 39.58 1g40 n ILE 73 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1g40 n ASP 74 N 3.17 1.38 -0.90 4.38 8.00 -1.26 -2.45 116.55 128.87 1g40 n ASP 74 Ca 0.18 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1g40 n ASP 74 Cb 0.23 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 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 13.18 -1.64 -2.93 -2.24 3.02 -1.26 -4.76 115.26 118.62 1g40 n ASN 75 Ca 0.50 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 1g40 n ASN 75 Cb 0.30 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 -2.68 -1.45 -0.18 7.41 0.00 -1.02 -4.13 107.32 105.26 1g40 s GLY 76 Ca 0.00 0.62 -0.05 0.00 0.00 0.00 0.00 44.72 45.29 1g40 s GLY 76 CO 0.00 3.99 -0.00 1.20 0.00 0.00 0.00 173.10 178.29 1g40 s GLN 77 N 1.70 3.68 -0.13 2.90 -0.21 -0.82 -4.38 119.66 122.41 1g40 s GLN 77 Ca 0.18 -0.50 -0.24 0.00 0.02 0.00 0.00 55.36 54.81 1g40 s GLN 77 Cb 0.01 -3.05 -0.02 0.00 1.00 0.00 0.00 33.01 30.95 1g40 s GLN 77 CO -0.10 0.12 0.78 -0.48 -2.12 0.00 0.00 175.29 173.48 1g40 s LEU 78 N 0.72 4.23 -0.74 2.90 -0.00 -1.26 -0.76 118.68 123.76 1g40 s LEU 78 Ca -0.00 1.18 -0.02 0.00 -0.00 0.00 0.00 54.13 55.28 1g40 s LEU 78 Cb -0.14 -3.17 0.30 0.00 -0.00 0.00 0.00 46.19 43.18 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 4.63 7.32 0.00 1.48 8.00 -1.21 -4.64 116.55 132.13 1g40 n ASP 79 Ca 0.02 -3.69 0.00 0.00 0.71 0.00 0.00 54.79 51.83 1g40 n ASP 79 Cb 0.50 -1.09 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 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 -0.27 0.00 0.00 0.53 5.41 -1.26 -4.93 119.36 118.84 1g40 n ILE 80 Ca 0.53 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.28 1g40 n ILE 80 Cb 0.35 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 1g40 n ILE 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1g40 n GLY 81 N 0.96 2.56 3.91 7.39 0.00 -1.26 -5.15 105.19 113.60 1g40 n GLY 81 Ca 0.00 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.81 107.32 103.63 1g40 s GLY 82 Ca 0.00 -0.76 -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 0.00 175.10 172.54 1g40 n ASP 84 N -0.29 0.00 -0.34 3.54 8.00 -1.26 -2.81 116.55 123.38 1g40 n ASP 84 Ca 0.01 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1g40 n ASP 84 Cb 0.65 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 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 -0.54 0.00 -3.40 1.24 -0.00 -1.26 -1.84 117.46 111.65 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 0.18 -0.09 0.00 -0.00 0.00 0.00 39.48 39.57 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 3.36 3.43 7.13 0.00 -1.26 -4.74 105.19 113.12 1g40 n GLY 86 Ca 0.00 -1.97 0.02 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.27 -0.32 -0.45 1.61 1.04 -1.26 -5.05 113.70 108.00 1g40 s SER 87 Ca 0.34 0.46 -0.20 0.00 0.48 0.00 0.00 55.95 57.03 1g40 s SER 87 Cb 0.10 1.28 0.03 0.00 0.10 0.00 0.00 66.02 67.54 1g40 s SER 87 CO -0.11 -0.07 0.61 -0.94 0.98 0.00 0.00 173.24 173.71 1g40 s SER 88 N 1.86 6.29 -0.21 7.02 1.04 -1.26 -4.39 113.70 124.04 1g40 s SER 88 Ca -0.04 -0.49 -0.14 0.00 0.48 0.00 0.00 55.95 55.76 1g40 s SER 88 Cb -0.03 -2.30 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 1g40 s SER 88 CO -0.15 -0.78 0.32 -0.63 0.98 0.00 0.00 173.24 172.98 1g40 s ILE 89 N 2.71 5.26 0.17 -1.02 1.09 -0.47 -4.85 121.20 124.09 1g40 s ILE 89 Ca 0.20 0.54 -0.29 0.00 -1.10 0.00 0.00 60.65 59.99 1g40 s ILE 89 Cb -0.15 -3.65 -0.08 0.00 -1.06 0.00 0.00 42.46 37.52 1g40 s ILE 89 CO 0.17 0.29 0.92 -0.89 -0.10 0.00 0.00 174.94 175.33 1g40 s THR 90 N 1.13 4.30 -0.37 2.92 2.01 -1.26 -1.06 115.64 123.31 1g40 s THR 90 Ca 0.15 2.01 -0.18 0.00 0.31 0.00 0.00 61.69 63.99 1g40 s THR 90 Cb -0.14 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.08 1g40 s THR 90 CO 0.06 0.43 0.48 -0.31 -0.69 0.00 0.00 174.62 174.60 1g40 s TYR 91 N -0.69 3.17 -0.08 4.92 1.51 -1.26 -3.29 117.35 121.64 1g40 s TYR 91 Ca 0.42 0.02 -0.27 0.00 -1.01 0.00 0.00 57.07 56.23 1g40 s TYR 91 Cb -0.24 -2.91 -0.02 0.00 -0.11 0.00 0.00 41.96 38.67 1g40 s TYR 91 CO 0.30 -0.58 0.90 -1.54 -1.11 0.00 0.00 175.55 173.52 1g40 s SER 92 N 1.79 7.17 0.21 2.29 1.04 0.06 -4.86 113.70 121.39 1g40 s SER 92 Ca 0.17 1.42 0.08 0.00 0.48 0.00 0.00 55.95 58.09 1g40 s SER 92 Cb -0.16 -2.51 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 1g40 s SER 92 CO 0.14 -0.31 0.03 0.00 0.98 0.00 0.00 173.24 174.07 1g40 s ASN 94 N -3.25 6.44 -0.39 0.00 -0.87 -1.26 -4.98 114.94 110.63 1g40 s ASN 94 Ca 0.29 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 38.81 1g40 s ASN 94 CO 0.20 0.10 1.44 -1.54 -2.57 0.00 0.00 177.10 174.73 1g40 n SER 95 N 3.55 0.78 0.00 -1.22 3.41 -1.26 -3.40 113.62 115.48 1g40 n SER 95 Ca -0.12 0.75 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1g40 n SER 95 Cb 0.52 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 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 4.37 1.40 3.47 5.00 0.00 -1.26 -3.98 105.19 114.18 1g40 n GLY 96 Ca 0.33 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.18 -4.76 1.61 4.02 -1.22 -4.94 117.16 111.70 1g40 n TYR 97 Ca 0.00 0.69 -0.33 0.00 -0.01 0.00 0.00 57.90 58.25 1g40 n TYR 97 Cb 0.00 -2.03 -0.12 0.00 -0.02 0.00 0.00 39.34 37.16 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 -1.31 2.81 -0.13 -0.72 3.76 -0.89 -4.73 115.29 114.09 1g40 s HIS 98 Ca 0.62 -0.11 -0.29 0.00 -0.15 0.00 0.00 55.06 55.13 1g40 s HIS 98 Cb -0.68 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.29 1g40 s HIS 98 CO 0.58 0.22 1.45 -0.51 -0.85 0.00 0.00 174.74 175.64 1g40 s LEU 99 N -0.68 4.20 -0.91 0.89 1.43 -1.26 0.05 118.68 122.41 1g40 s LEU 99 Ca 0.10 1.89 -0.15 0.00 -1.03 0.00 0.00 54.13 54.94 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 0.01 -0.88 0.96 -0.63 0.23 0.00 0.00 176.35 176.04 1g40 s ILE 100 N 3.89 5.28 -5.00 -0.59 1.01 -0.97 -4.88 121.20 119.94 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 4.45 0.38 3.76 6.18 0.00 -1.26 -4.66 105.19 114.03 1g40 n GLY 101 Ca 0.20 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.38 4.24 -1.10 1.61 -6.30 -1.26 -4.92 118.70 109.59 1g40 s GLU 102 Ca 0.00 2.38 -0.15 0.00 -2.50 0.00 0.00 54.97 54.70 1g40 s GLU 102 Cb 0.00 -3.05 0.18 0.00 0.00 0.00 0.00 34.13 31.25 1g40 s GLU 102 CO 0.00 -0.41 1.27 0.45 0.02 0.00 0.00 175.26 176.59 1g40 s SER 103 N 0.01 6.96 0.00 -1.70 0.15 -1.26 -4.74 113.70 113.12 1g40 s SER 103 Ca 0.55 -2.79 0.00 0.00 0.70 0.00 0.00 55.95 54.41 1g40 s SER 103 Cb -0.43 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 1g40 s SER 103 CO 0.51 -0.77 0.00 0.29 1.20 0.00 0.00 173.24 174.48 1g40 n LYS 104 N 5.43 0.00 -4.43 5.44 5.02 -1.26 -4.79 118.16 123.57 1g40 n LYS 104 Ca 0.30 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.25 1g40 n LYS 104 Cb 0.44 0.00 -0.12 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 4.83 -0.12 4.39 0.01 -0.22 -4.60 113.70 118.00 1g40 s SER 105 Ca 0.00 -0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.19 1g40 s SER 105 Cb 0.00 -1.64 -0.01 0.00 0.21 0.00 0.00 66.02 64.57 1g40 s SER 105 CO 0.00 0.23 -0.16 -0.31 0.41 0.00 0.00 173.24 173.41 1g40 s TYR 106 N 0.01 2.75 0.03 2.43 1.51 -1.26 -1.36 117.35 121.45 1g40 s TYR 106 Ca 0.01 -0.70 -0.30 0.00 -1.01 0.00 0.00 57.07 55.06 1g40 s TYR 106 Cb -0.13 -1.80 -0.07 0.00 -0.11 0.00 0.00 41.96 39.85 1g40 s TYR 106 CO 0.03 -0.23 1.49 0.00 -1.11 0.00 0.00 175.55 175.72 1g40 n GLU 108 N 5.37 0.21 -0.47 0.00 -0.58 -1.05 -4.81 120.64 119.31 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 0.42 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 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 8.89 0.00 -0.53 -4.62 -0.00 -1.26 -4.25 117.00 115.23 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 4.86 0.42 0.00 1.47 0.00 -1.26 -4.81 105.19 105.87 1g40 n GLY 110 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.35 0.00 -1.48 1.61 7.64 -1.26 -3.15 113.62 116.63 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 0.17 0.00 0.34 0.00 -1.01 0.00 0.00 64.21 63.71 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 -1.88 1.80 0.00 0.44 -1.04 -1.25 -4.85 114.28 107.50 1g40 n THR 112 Ca 0.00 -1.23 0.00 0.00 -2.04 0.00 0.00 64.05 60.78 1g40 n THR 112 Cb 0.00 0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 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 1.00 1.35 0.00 3.41 0.00 0.17 -4.31 105.19 106.82 1g40 n GLY 113 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.18 113.62 113.20 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 -0.99 0.00 -2.92 4.33 0.00 -1.26 -4.73 117.12 111.55 1g40 n MET 115 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.30 1g40 n MET 115 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 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 -0.55 4.50 0.00 1.12 1.01 -1.26 -4.43 120.40 120.79 1g40 s VAL 116 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.75 1g40 s VAL 116 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1g40 s VAL 116 CO 0.00 0.43 0.00 0.79 0.00 0.00 0.00 175.10 176.32 1g40 n TRP 117 N 2.23 -3.17 -0.01 5.22 7.02 -1.26 -2.53 117.44 124.94 1g40 n TRP 117 Ca -0.03 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.41 1g40 n TRP 117 Cb 0.49 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.37 1g40 n TRP 117 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1g40 n ASN 118 N -2.88 1.42 -1.49 -0.99 3.02 -0.20 -4.54 115.26 109.61 1g40 n ASN 118 Ca 0.00 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1g40 n ASN 118 Cb 0.00 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 1g40 n ASN 118 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1g40 n PRO 119 N -3.87 0.32 -2.94 3.52 -0.02 -1.26 -4.58 135.00 126.17 1g40 n PRO 119 Ca -0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.00 1g40 n PRO 119 Cb 0.21 -1.34 -0.05 0.00 -0.02 0.00 0.00 33.50 32.30 1g40 n PRO 119 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1g40 s GLU 120 N 1.08 3.57 0.00 -0.52 2.56 -1.26 -4.85 118.70 119.29 1g40 s GLU 120 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.97 55.09 1g40 s GLU 120 Cb 0.00 -3.88 0.00 0.00 2.00 0.00 0.00 34.13 32.25 1g40 s GLU 120 CO 0.00 -1.02 0.00 0.00 -0.56 0.00 0.00 175.26 173.68 1g40 n ALA 121 N 6.67 0.00 -1.62 6.30 0.00 -1.26 -5.10 120.51 125.49 1g40 n ALA 121 Ca 0.03 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 52.90 1g40 n ALA 121 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.02 0.69 -0.37 0.00 -0.02 -1.26 -4.95 135.00 129.06 1g40 n PRO 122 Ca 0.00 0.25 -0.16 0.00 -2.02 0.00 0.00 63.50 61.57 1g40 n PRO 122 Cb 0.00 -1.84 0.15 0.00 -0.02 0.00 0.00 33.50 31.79 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 3.03 0.00 -2.57 4.25 2.08 -1.26 -4.20 119.36 120.69 1g40 n ILE 123 Ca 0.23 0.00 -0.41 0.00 0.56 0.00 0.00 62.75 63.13 1g40 n ILE 123 Cb 0.11 -0.51 -0.03 0.00 -0.75 0.00 0.00 39.64 38.46 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 9.26 0.52 -0.25 0.00 2.13 0.11 -4.60 120.64 127.81 1g40 n GLU 125 Ca 0.03 -1.23 0.00 0.00 0.66 0.00 0.00 57.16 56.62 1g40 n GLU 125 Cb 0.49 1.42 0.00 0.00 0.27 0.00 0.00 31.44 33.61 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 -1.45 -0.50 -2.22 4.31 2.88 -1.26 -2.09 113.62 113.30 1g40 n SER 126 Ca -0.03 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.49 1g40 n SER 126 Cb 0.30 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 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 2.24 -7.37 -3.57 2.46 0.31 -1.26 -4.13 118.33 107.01 1g40 n VAL 127 Ca 0.00 0.77 -0.13 0.00 -0.01 0.00 0.00 64.34 64.96 1g40 n VAL 127 Cb 0.00 -5.75 -0.05 0.00 -0.91 0.00 0.00 33.84 27.13 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 -1.42 1.06 -0.11 5.55 0.00 -1.26 -3.97 119.74 119.59 1g40 s LYS 128 Ca 0.07 -0.33 0.03 0.00 0.00 0.00 0.00 55.97 55.74 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 0.43 -0.39 -0.19 0.00 0.00 0.00 0.00 175.35 175.20 1g40 n GLN 130 N 3.90 0.75 -2.03 0.00 6.02 -1.26 -3.19 117.38 121.56 1g40 n GLN 130 Ca -0.20 -2.37 -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 31.67 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 -3.61 6.63 0.54 1.08 0.15 -1.25 -4.47 113.70 112.77 1g40 s SER 131 Ca 0.40 2.15 -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 0.26 -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 -5.01 135.00 140.72 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 -2.36 2.68 -0.11 0.52 0.04 -1.26 -4.94 135.00 129.57 1g40 s PRO 133 Ca 0.70 0.90 -0.27 0.00 0.04 0.00 0.00 61.00 62.37 1g40 s PRO 133 Cb -0.47 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 1g40 s PRO 133 CO 0.52 -1.27 0.91 -1.54 0.04 0.00 0.00 177.00 175.66 1g40 s SER 134 N -3.78 7.13 1.03 6.66 1.04 -1.26 -4.81 113.70 119.70 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 0.00 173.24 175.80 1g40 s ILE 135 N 1.82 1.89 -0.98 -1.02 -4.36 -1.25 -4.93 121.20 112.37 1g40 s ILE 135 Ca 0.44 0.00 -0.22 0.00 -0.26 0.00 0.00 60.65 60.61 1g40 s ILE 135 Cb -0.18 -2.63 0.08 0.00 1.25 0.00 0.00 42.46 40.97 1g40 s ILE 135 CO 0.17 0.00 1.33 -0.44 0.24 0.00 0.00 174.94 176.24 1g40 s SER 136 N -3.93 6.52 0.00 4.36 0.01 -1.26 -3.14 113.70 116.26 1g40 s SER 136 Ca 0.67 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 56.34 1g40 s SER 136 Cb -0.13 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1g40 s SER 136 CO 0.55 -1.38 0.00 0.59 0.41 0.00 0.00 173.24 173.41 1g40 n ASN 137 N 8.15 -0.39 -3.72 2.44 4.13 -1.26 -4.55 115.26 120.06 1g40 n ASN 137 Ca 0.29 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.52 1g40 n ASN 137 Cb 0.50 -0.10 -0.01 0.00 -1.54 0.00 0.00 39.78 38.63 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 -1.85 -0.27 0.47 7.41 0.00 -1.19 -4.07 107.32 107.83 1g40 s GLY 138 Ca 0.00 0.26 0.04 0.00 0.00 0.00 0.00 44.72 45.02 1g40 s GLY 138 CO 0.00 0.04 0.08 0.50 0.00 0.00 0.00 173.10 173.72 1g40 s ARG 139 N -3.13 2.14 -0.12 2.90 3.00 -0.24 -3.79 118.95 119.71 1g40 s ARG 139 Ca 0.12 -2.18 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 0.01 -0.26 -0.22 -3.38 0.00 0.00 0.00 175.30 171.45 1g40 s HIS 140 N -2.77 2.63 0.13 -0.53 -3.43 -1.26 -0.50 115.29 109.57 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 -0.48 -0.22 -0.80 -2.00 0.00 0.00 174.74 171.36 1g40 s ASN 141 N 0.55 2.89 -0.09 7.38 0.01 -1.23 -4.89 114.94 119.56 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 1.38 -0.83 -1.51 0.00 0.00 177.10 176.26 1g40 s GLY 142 N -2.20 -0.23 -0.12 0.66 0.00 -1.26 -4.33 107.32 99.84 1g40 s GLY 142 Ca 0.12 0.21 -0.27 0.00 0.00 0.00 0.00 44.72 44.78 1g40 s GLY 142 CO 0.06 6.46 0.84 -0.97 0.00 0.00 0.00 173.10 179.49 1g40 h TYR 143 N 2.00 -0.01 -5.14 1.90 0.05 -1.99 -3.47 116.97 110.31 1g40 h TYR 143 Ca -0.20 -0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.16 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 1.36 0.85 -0.23 -0.85 -1.05 0.00 0.00 178.16 178.25 1g40 n GLU 144 N -4.67 0.98 -0.01 4.88 0.00 -1.26 -5.11 120.64 115.45 1g40 n GLU 144 Ca -0.09 -2.45 -0.01 0.00 0.00 0.00 0.00 57.16 54.60 1g40 n GLU 144 Cb 0.42 0.38 -0.00 0.00 0.00 0.00 0.00 31.44 32.23 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 -4.75 -1.84 8.00 -1.26 -4.91 116.55 110.43 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 0.44 -0.55 -0.05 0.00 -0.02 0.00 0.00 41.12 40.94 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 -1.30 3.82 -0.60 1.24 0.08 -1.26 -3.84 117.98 116.11 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 0.41 0.00 -0.57 0.00 0.00 43.02 39.96 1g40 s PHE 146 CO 0.06 0.31 1.67 0.66 -0.10 0.00 0.00 175.22 177.82 1g40 n TYR 147 N 2.46 3.10 -0.14 0.36 4.02 -1.19 -4.99 117.16 120.78 1g40 n TYR 147 Ca -0.01 -2.67 0.00 0.00 -0.01 0.00 0.00 57.90 55.20 1g40 n TYR 147 Cb 0.49 -0.85 0.00 0.00 -0.02 0.00 0.00 39.34 38.96 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 -0.66 0.00 0.00 -0.72 -2.24 -1.26 -4.53 114.28 104.88 1g40 n THR 148 Ca 0.51 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1g40 n THR 148 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 3.30 0.00 -4.62 3.42 2.03 -1.26 -0.52 116.55 118.90 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 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 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 1.30 3.72 0.27 0.00 -1.20 -4.72 105.19 109.56 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 6.73 -0.20 -0.28 1.61 1.04 -1.25 -5.01 113.70 116.34 1g40 s SER 151 Ca 0.97 -0.70 -0.09 0.00 0.48 0.00 0.00 55.95 56.61 1g40 s SER 151 Cb -0.42 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 1g40 s SER 151 CO 0.39 -1.24 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 -4.85 120.40 124.32 1g40 s VAL 153 Ca 0.06 -0.44 -0.06 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 0.32 3.92 2.01 -1.26 0.07 115.64 126.83 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 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1g40 s THR 154 CO 0.01 0.61 0.18 -0.31 -0.69 0.00 0.00 174.62 174.42 1g40 s TYR 155 N -0.93 2.83 0.35 4.92 1.51 -1.26 -3.55 117.35 121.21 1g40 s TYR 155 Ca 0.14 -0.30 0.09 0.00 -1.01 0.00 0.00 57.07 55.99 1g40 s TYR 155 Cb -0.12 -1.61 -0.06 0.00 -0.11 0.00 0.00 41.96 40.06 1g40 s TYR 155 CO 0.03 0.34 -0.05 -1.12 -1.11 0.00 0.00 175.55 173.65 1g40 s SER 156 N -3.88 3.89 0.33 2.29 0.01 0.35 -4.84 113.70 111.86 1g40 s SER 156 Ca 0.37 -1.15 0.04 0.00 1.31 0.00 0.00 55.95 56.53 1g40 s SER 156 Cb -0.05 -0.41 -0.07 0.00 0.21 0.00 0.00 66.02 65.71 1g40 s SER 156 CO 0.24 -0.24 0.05 0.00 0.41 0.00 0.00 173.24 173.70 1g40 s ASN 158 N -3.51 4.18 -0.92 0.00 0.01 -1.26 -4.77 114.94 108.66 1g40 s ASN 158 Ca 0.36 0.39 -0.24 0.00 -0.71 0.00 0.00 52.86 52.66 1g40 s ASN 158 Cb 0.09 -0.79 -0.01 0.00 0.41 0.00 0.00 41.25 40.95 1g40 s ASN 158 CO 0.16 -2.04 1.76 -0.44 -1.51 0.00 0.00 177.10 175.02 1g40 s SER 159 N -4.67 5.63 0.00 -1.22 0.01 -1.26 -2.85 113.70 109.34 1g40 s SER 159 Ca 0.65 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1g40 s SER 159 Cb -0.08 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1g40 s SER 159 CO 0.48 -2.29 0.00 0.61 0.41 0.00 0.00 173.24 172.45 1g40 n GLY 160 N 6.77 0.39 3.46 3.44 0.00 -1.26 -5.16 105.19 112.82 1g40 n GLY 160 Ca 0.36 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.62 -0.57 0.04 1.61 1.51 -1.13 -4.76 117.35 113.43 1g40 s TYR 161 Ca 0.00 0.88 0.05 0.00 -1.01 0.00 0.00 57.07 56.99 1g40 s TYR 161 Cb 0.00 0.38 -0.02 0.00 -0.11 0.00 0.00 41.96 42.21 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 -1.45 1.77 0.17 2.29 0.01 0.24 -4.78 113.70 111.95 1g40 s SER 162 Ca -0.09 -0.47 -0.21 0.00 1.31 0.00 0.00 55.95 56.48 1g40 s SER 162 Cb -0.01 -0.12 -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 0.00 173.24 173.69 1g40 s LEU 163 N -1.18 4.47 -0.25 2.44 2.01 -1.26 -0.83 118.68 124.09 1g40 s LEU 163 Ca 0.02 1.45 0.01 0.00 0.01 0.00 0.00 54.13 55.62 1g40 s LEU 163 Cb -0.08 -3.32 0.05 0.00 0.01 0.00 0.00 46.19 42.85 1g40 s LEU 163 CO 0.01 0.15 -0.09 -0.63 1.01 0.00 0.00 176.35 176.80 1g40 s ILE 164 N -1.30 2.42 0.00 -0.59 -1.09 -0.44 -4.06 121.20 116.14 1g40 s ILE 164 Ca 0.37 -1.40 0.00 0.00 -2.23 0.00 0.00 60.65 57.39 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 2.40 0.08 6.18 0.00 -1.26 -2.52 105.19 114.60 1g40 n GLY 165 Ca -0.15 -0.86 -0.12 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 -3.38 115.58 110.63 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 1.02 0.00 -1.54 -1.29 0.00 0.00 177.43 175.62 1g40 n SER 167 N -4.59 0.00 0.00 1.15 3.41 -1.26 -4.86 113.62 107.47 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 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 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 3.54 3.55 5.00 0.00 -1.26 -4.93 105.19 111.09 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 3.74 -0.23 1.61 1.01 0.11 -4.83 120.40 119.81 1g40 s VAL 169 Ca 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 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 -0.43 3.46 -0.33 3.92 2.96 -1.26 -1.12 118.68 125.88 1g40 s LEU 170 Ca 0.06 -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 0.01 0.12 0.00 -1.32 0.00 0.00 176.35 175.19 1g40 n SER 172 N 4.87 2.90 0.00 0.00 2.88 -1.10 -3.26 113.62 119.91 1g40 n SER 172 Ca -0.13 -3.26 0.00 0.00 -1.33 0.00 0.00 58.87 54.15 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 -4.66 105.19 101.68 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 -0.49 0.77 3.15 -0.02 0.00 -1.24 -4.43 105.19 102.93 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 0.43 -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 0.81 -1.58 0.02 0.00 0.00 175.26 174.03 1g40 s TRP 176 N 2.69 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 57.04 1g40 s TRP 176 Cb -0.14 -3.30 0.32 0.00 -1.15 0.00 0.00 33.47 29.20 1g40 s TRP 176 CO -0.17 -0.62 0.99 -1.13 0.02 0.00 0.00 176.95 176.04 1g40 n SER 177 N 6.32 4.63 0.00 2.95 3.41 -0.21 -4.81 113.62 125.91 1g40 n SER 177 Ca 0.04 -3.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.01 1g40 n SER 177 Cb 0.48 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 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 -0.02 0.00 -4.64 4.04 2.03 -1.26 -4.54 116.55 112.16 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 0.38 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 -4.38 135.00 132.61 1g40 s PRO 179 Ca 0.00 1.04 -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 30.79 1g40 s PRO 179 CO 0.00 -0.92 1.00 -1.25 0.04 0.00 0.00 177.00 175.87 1g40 s PRO 180 N 3.67 4.33 -0.13 0.56 0.04 -1.26 -4.70 135.00 137.51 1g40 s PRO 180 Ca 0.45 1.33 -0.03 0.00 0.04 0.00 0.00 61.00 62.80 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 -0.46 -0.04 0.95 0.04 0.00 0.00 177.00 177.64 1g40 s THR 181 N 2.57 3.86 -0.60 1.26 -4.23 -1.05 -4.84 115.64 112.61 1g40 s THR 181 Ca 0.45 -0.38 -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 0.94 0.00 -0.54 0.00 0.00 174.62 175.66 1g40 s GLN 183 N 3.95 1.57 -1.11 0.00 -1.52 -0.01 -4.84 119.66 117.71 1g40 s GLN 183 Ca 0.26 -1.49 -0.07 0.00 -1.95 0.00 0.00 55.36 52.11 1g40 s GLN 183 Cb -0.15 -1.88 0.29 0.00 -0.22 0.00 0.00 33.01 31.05 1g40 s GLN 183 CO 0.15 0.41 1.26 -0.89 -0.25 0.00 0.00 175.29 175.97 1g40 n ILE 184 N 0.28 4.85 -3.75 1.08 -0.00 -1.26 -0.59 119.36 119.97 1g40 n ILE 184 Ca -0.13 -5.57 -0.12 0.00 -0.00 0.00 0.00 62.75 56.93 1g40 n ILE 184 Cb 0.56 -2.40 -0.12 0.00 -0.00 0.00 0.00 39.64 37.67 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 -1.77 -0.02 -0.06 1.39 -7.23 -1.26 -4.92 120.40 106.54 1g40 s VAL 185 Ca 0.31 0.07 0.06 0.00 -1.81 0.00 0.00 61.98 60.62 1g40 s VAL 185 Cb -0.04 -0.41 -0.01 0.00 0.56 0.00 0.00 36.38 36.47 1g40 s VAL 185 CO -0.01 0.03 -0.24 -0.54 -0.31 0.00 0.00 175.10 174.03 1g40 s LYS 186 N 0.78 2.53 0.10 4.82 3.01 -1.26 -4.72 119.74 125.00 1g40 s LYS 186 Ca -0.05 -0.88 -0.30 0.00 -1.01 0.00 0.00 55.97 53.73 1g40 s LYS 186 Cb -0.06 -2.19 -0.06 0.00 -1.01 0.00 0.00 37.83 34.50 1g40 s LYS 186 CO -0.05 0.42 1.16 0.00 0.51 0.00 0.00 175.35 177.40 1g40 s PRO 188 N 0.52 1.36 0.25 0.00 0.04 -1.26 -1.05 135.00 134.86 1g40 s PRO 188 Ca 0.55 -1.04 -0.31 0.00 0.04 0.00 0.00 61.00 60.24 1g40 s PRO 188 Cb -0.30 -2.23 -0.13 0.00 0.04 0.00 0.00 34.50 31.89 1g40 s PRO 188 CO 0.32 -1.72 1.50 0.72 0.04 0.00 0.00 177.00 177.86 1g40 n HIS 189 N -3.06 2.45 -2.16 0.56 8.25 -1.26 -4.86 115.22 115.13 1g40 n HIS 189 Ca 0.16 0.34 -0.42 0.00 -0.26 0.00 0.00 57.72 57.54 1g40 n HIS 189 Cb 0.60 -2.53 -0.03 0.00 1.12 0.00 0.00 29.99 29.16 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 -0.27 4.27 -0.63 -0.41 0.04 -1.26 -4.97 135.00 131.77 1g40 s PRO 190 Ca 0.68 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 63.54 1g40 s PRO 190 Cb -0.59 -3.57 0.06 0.00 0.04 0.00 0.00 34.50 30.45 1g40 s PRO 190 CO 0.48 -0.60 0.93 0.95 0.04 0.00 0.00 177.00 178.79 1g40 s THR 191 N 2.40 4.38 -0.11 1.26 -4.23 -1.26 -4.99 115.64 113.10 1g40 s THR 191 Ca 0.66 -0.26 -0.07 0.00 -1.18 0.00 0.00 61.69 60.84 1g40 s THR 191 Cb -0.33 -4.63 0.04 0.00 1.34 0.00 0.00 72.50 68.92 1g40 s THR 191 CO 0.28 -1.34 0.27 -0.51 -0.54 0.00 0.00 174.62 172.77 1g40 s ILE 192 N 3.92 -0.02 -0.18 2.99 2.07 -1.26 -4.69 121.20 124.04 1g40 s ILE 192 Ca 0.23 0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.52 1g40 s ILE 192 Cb -0.16 -0.39 -0.01 0.00 0.13 0.00 0.00 42.46 42.02 1g40 s ILE 192 CO 0.12 0.03 -0.08 -0.44 -1.91 0.00 0.00 174.94 172.66 1g40 s SER 193 N 0.73 4.23 0.00 4.50 0.01 -1.26 -4.56 113.70 117.34 1g40 s SER 193 Ca -0.05 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1g40 s SER 193 Cb -0.06 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.48 1g40 s SER 193 CO -0.05 0.07 0.00 0.59 0.41 0.00 0.00 173.24 174.27 1g40 n ASN 194 N 4.17 0.00 -4.31 2.44 3.02 -1.26 -3.95 115.26 115.36 1g40 n ASN 194 Ca -0.18 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.12 1g40 n ASN 194 Cb 0.52 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.56 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 -1.83 1.33 -0.05 7.41 0.00 -1.26 -1.80 107.32 111.12 1g40 s GLY 195 Ca 0.00 -1.33 0.02 0.00 0.00 0.00 0.00 44.72 43.40 1g40 s GLY 195 CO 0.00 -1.34 -0.08 -2.52 0.00 0.00 0.00 173.10 169.16 1g40 s TYR 196 N -1.31 1.00 -0.03 1.90 -0.85 -0.49 -4.87 117.35 112.71 1g40 s TYR 196 Ca 0.10 -0.32 -0.30 0.00 -0.52 0.00 0.00 57.07 56.03 1g40 s TYR 196 Cb -0.09 -0.80 -0.05 0.00 0.38 0.00 0.00 41.96 41.41 1g40 s TYR 196 CO 0.05 -0.20 1.38 -0.48 -1.52 0.00 0.00 175.55 174.77 1g40 s LEU 197 N 0.72 4.30 -0.62 -3.49 -0.00 -1.26 -0.40 118.68 117.93 1g40 s LEU 197 Ca -0.12 2.04 0.04 0.00 -0.00 0.00 0.00 54.13 56.09 1g40 s LEU 197 Cb -0.14 -3.56 0.16 0.00 -0.00 0.00 0.00 46.19 42.65 1g40 s LEU 197 CO 0.02 -0.72 0.42 -0.55 -0.00 0.00 0.00 176.35 175.51 1g40 s SER 198 N 1.95 4.21 -0.32 1.48 0.15 -0.52 -4.84 113.70 115.82 1g40 s SER 198 Ca 0.62 -3.52 -0.11 0.00 0.70 0.00 0.00 55.95 53.64 1g40 s SER 198 Cb -0.30 -1.43 0.19 0.00 -1.71 0.00 0.00 66.02 62.77 1g40 s SER 198 CO 0.25 -0.13 1.10 -0.55 1.20 0.00 0.00 173.24 175.10 1g40 s SER 199 N -0.93 -0.20 -0.26 5.45 0.15 -1.26 -4.50 113.70 112.14 1g40 s SER 199 Ca 0.24 -0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.76 1g40 s SER 199 Cb -0.08 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1g40 s SER 199 CO -0.13 -0.02 0.05 0.61 1.20 0.00 0.00 173.24 174.95 1g40 n GLY 200 N 3.51 -3.23 3.51 9.45 0.00 -1.26 -4.49 105.19 112.69 1g40 n GLY 200 Ca 0.06 0.44 -0.42 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.57 3.15 0.30 1.61 5.36 -1.26 -4.95 117.98 120.61 1g40 s PHE 201 Ca 0.02 -0.15 0.09 0.00 -0.96 0.00 0.00 56.93 55.93 1g40 s PHE 201 Cb -0.01 -2.99 -0.04 0.00 -0.34 0.00 0.00 43.02 39.64 1g40 s PHE 201 CO 0.64 -0.68 0.05 0.15 -1.46 0.00 0.00 175.22 173.91 1g40 s LYS 202 N 2.35 2.30 -0.13 10.12 1.02 -1.26 -5.06 119.74 129.08 1g40 s LYS 202 Ca 0.16 -1.50 -0.19 0.00 0.02 0.00 0.00 55.97 54.46 1g40 s LYS 202 Cb -0.16 -2.14 -0.17 0.00 -0.52 0.00 0.00 37.83 34.84 1g40 s LYS 202 CO 0.15 0.26 0.47 0.00 -0.92 0.00 0.00 175.35 175.30 1g40 h ARG 203 N 1.76 0.00 -4.64 1.68 3.08 -1.96 -3.43 114.38 110.87 1g40 h ARG 203 Ca -0.44 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 58.96 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 0.62 0.66 -0.78 0.45 -1.07 0.00 0.00 179.97 179.85 1g40 s SER 204 N -6.03 4.32 0.86 7.04 0.15 -1.26 -4.37 113.70 114.42 1g40 s SER 204 Ca -0.13 -1.49 -0.11 0.00 0.70 0.00 0.00 55.95 54.91 1g40 s SER 204 Cb -0.01 -1.43 0.15 0.00 -1.71 0.00 0.00 66.02 63.01 1g40 s SER 204 CO 0.45 -0.25 1.20 -0.31 1.20 0.00 0.00 173.24 175.53 1g40 s TYR 205 N 1.17 1.98 0.00 3.44 2.02 -0.21 -4.95 117.35 120.80 1g40 s TYR 205 Ca -0.04 0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 1g40 s TYR 205 Cb -0.19 -3.70 0.00 0.00 -0.40 0.00 0.00 41.96 37.67 1g40 s TYR 205 CO -0.07 -2.18 0.00 -1.13 -1.57 0.00 0.00 175.55 170.60 1g40 n SER 206 N -3.41 0.00 -3.84 2.29 3.41 -1.26 -2.23 113.62 108.57 1g40 n SER 206 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1g40 n SER 206 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.30 -2.64 7.33 4.19 -1.26 -2.51 117.16 121.98 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 -0.05 0.00 0.49 0.00 0.00 39.34 39.78 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 -1.84 7.37 -0.10 2.98 2.20 -1.26 -4.27 114.94 120.02 1g40 s ASN 208 Ca 0.00 2.04 -0.05 0.00 -0.94 0.00 0.00 52.86 53.91 1g40 s ASN 208 Cb 0.00 -2.61 0.04 0.00 -2.00 0.00 0.00 41.25 36.68 1g40 s ASN 208 CO 0.00 -0.05 0.23 -1.81 -2.94 0.00 0.00 177.10 172.53 1g40 s ASP 209 N -1.20 -0.24 -0.30 3.54 1.01 -1.26 -4.86 116.67 113.35 1g40 s ASP 209 Ca 0.46 0.49 0.07 0.00 0.71 0.00 0.00 52.55 54.27 1g40 s ASP 209 Cb -0.26 0.39 0.46 0.00 1.01 0.00 0.00 42.92 44.52 1g40 s ASP 209 CO 0.33 -0.15 1.21 -3.20 0.21 0.00 0.00 175.17 173.57 1g40 n ASN 210 N 4.03 4.97 -4.65 0.27 4.05 -1.16 -2.04 115.26 120.73 1g40 n ASN 210 Ca -0.23 -3.75 -0.54 0.00 0.45 0.00 0.00 54.58 50.51 1g40 n ASN 210 Cb 0.54 -0.35 -0.07 0.00 1.23 0.00 0.00 39.78 41.13 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 -0.72 0.37 -2.32 3.44 0.24 -1.24 -3.33 118.33 114.77 1g40 n VAL 211 Ca 0.44 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.34 62.21 1g40 n VAL 211 Cb 0.96 -1.48 -0.02 0.00 -1.47 0.00 0.00 33.84 31.83 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 4.42 6.88 -0.37 -1.34 1.11 -1.26 -2.69 116.67 123.42 1g40 s ASP 212 Ca 0.99 1.83 -0.29 0.00 0.18 0.00 0.00 52.55 55.26 1g40 s ASP 212 Cb -0.93 -2.54 0.01 0.00 1.07 0.00 0.00 42.92 40.54 1g40 s ASP 212 CO 0.59 -0.80 1.20 -0.36 1.18 0.00 0.00 175.17 176.99 1g40 s PHE 213 N 3.58 2.83 -0.31 4.23 0.08 -1.26 -1.44 117.98 125.69 1g40 s PHE 213 Ca 0.59 0.91 -0.21 0.00 0.12 0.00 0.00 56.93 58.34 1g40 s PHE 213 Cb -0.25 -4.03 -0.01 0.00 -0.57 0.00 0.00 43.02 38.17 1g40 s PHE 213 CO 0.18 -1.34 0.66 0.21 -0.10 0.00 0.00 175.22 174.83 1g40 s LYS 214 N 4.17 3.89 0.89 0.44 2.20 0.47 -4.85 119.74 126.94 1g40 s LYS 214 Ca 0.51 0.32 -0.11 0.00 -0.36 0.00 0.00 55.97 56.33 1g40 s LYS 214 Cb -0.12 -3.74 0.13 0.00 -1.51 0.00 0.00 37.83 32.59 1g40 s LYS 214 CO 0.24 -0.60 1.09 0.00 -0.36 0.00 0.00 175.35 175.72 1g40 s LYS 216 N -4.89 2.86 0.00 0.00 2.20 -0.74 -4.85 119.74 114.31 1g40 s LYS 216 Ca 0.63 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1g40 s LYS 216 Cb -0.18 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 1g40 s LYS 216 CO 0.57 -0.56 0.00 0.66 -0.36 0.00 0.00 175.35 175.67 1g40 n TYR 217 N -2.35 0.00 0.00 4.03 4.01 -1.26 -2.60 117.16 119.00 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 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 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 0.11 0.25 3.47 2.72 0.00 -1.26 -5.18 105.19 105.30 1g40 n GLY 218 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.33 2.09 0.02 1.61 2.02 -1.07 -5.07 117.35 116.62 1g40 s TYR 219 Ca 0.00 -0.68 0.08 0.00 -0.37 0.00 0.00 57.07 56.10 1g40 s TYR 219 Cb 0.00 -1.24 -0.03 0.00 -0.40 0.00 0.00 41.96 40.30 1g40 s TYR 219 CO 0.00 0.33 -0.24 0.21 -1.57 0.00 0.00 175.55 174.27 1g40 s LYS 220 N -3.72 1.95 -0.12 -0.62 2.20 0.10 -4.85 119.74 114.68 1g40 s LYS 220 Ca 0.31 -1.03 -0.29 0.00 -0.36 0.00 0.00 55.97 54.60 1g40 s LYS 220 Cb 0.04 -2.04 -0.03 0.00 -1.51 0.00 0.00 37.83 34.29 1g40 s LYS 220 CO 0.14 0.53 1.32 -0.51 -0.36 0.00 0.00 175.35 176.47 1g40 s LEU 221 N -1.10 4.23 -0.88 5.43 1.43 -1.26 -0.50 118.68 126.03 1g40 s LEU 221 Ca 0.12 1.83 -0.01 0.00 -1.03 0.00 0.00 54.13 55.04 1g40 s LEU 221 Cb -0.10 -3.54 0.23 0.00 0.03 0.00 0.00 46.19 42.80 1g40 s LEU 221 CO 0.02 -0.75 0.82 -0.24 0.23 0.00 0.00 176.35 176.43 1g40 n SER 222 N 6.35 4.27 0.00 2.29 2.88 -0.65 -4.92 113.62 123.84 1g40 n SER 222 Ca 0.14 -3.20 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 1g40 n SER 222 Cb 0.45 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 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 3.32 0.46 0.00 -1.26 -3.87 105.19 105.75 1g40 n GLY 223 Ca 0.23 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 1g40 n GLY 223 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1g40 n SER 224 N 0.00 -2.13 -2.87 1.61 2.88 -1.26 -5.02 113.62 106.83 1g40 n SER 224 Ca 0.00 -1.13 -0.12 0.00 -1.33 0.00 0.00 58.87 56.29 1g40 n SER 224 Cb 0.00 -0.96 0.02 0.00 -0.75 0.00 0.00 64.21 62.52 1g40 n SER 224 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1g40 n SER 225 N -4.82 0.61 0.00 -3.46 7.64 -1.26 -4.78 113.62 107.55 1g40 n SER 225 Ca 0.14 -2.88 0.00 0.00 1.01 0.00 0.00 58.87 57.14 1g40 n SER 225 Cb 0.56 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.05 0.00 -3.60 6.43 3.41 -1.26 -4.37 113.62 114.29 1g40 n SER 226 Ca 0.14 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.57 1g40 n SER 226 Cb 0.75 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.56 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 1.16 0.19 4.04 0.01 -1.10 -4.85 113.70 113.15 1g40 s SER 227 Ca 0.00 0.03 -0.09 0.00 1.31 0.00 0.00 55.95 57.20 1g40 s SER 227 Cb 0.00 0.27 -0.07 0.00 0.21 0.00 0.00 66.02 66.44 1g40 s SER 227 CO 0.00 -0.29 0.50 -0.89 0.41 0.00 0.00 173.24 172.97 1g40 s THR 228 N 2.29 4.99 0.17 1.44 2.01 -0.86 -3.00 115.64 122.67 1g40 s THR 228 Ca 0.04 0.42 -0.20 0.00 0.31 0.00 0.00 61.69 62.26 1g40 s THR 228 Cb -0.14 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.66 1g40 s THR 228 CO -0.09 0.02 0.68 0.00 -0.69 0.00 0.00 174.62 174.54 1g40 s SER 230 N -1.46 2.15 0.62 0.00 0.01 -1.11 -4.61 113.70 109.30 1g40 s SER 230 Ca 0.38 -1.24 -0.18 0.00 1.31 0.00 0.00 55.95 56.23 1g40 s SER 230 Cb -0.18 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 1g40 s SER 230 CO 0.21 -0.48 1.19 -2.16 0.41 0.00 0.00 173.24 172.41 1g40 s PRO 231 N -3.83 2.82 2.69 12.44 0.04 -1.26 -4.31 135.00 143.59 1g40 s PRO 231 Ca 0.30 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1g40 s PRO 231 Cb 0.06 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1g40 s PRO 231 CO 0.11 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.25 1g40 n GLY 232 N 0.34 1.14 2.53 0.56 0.00 -1.26 -4.31 105.19 104.18 1g40 n GLY 232 Ca 0.13 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 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 3.06 -1.46 -3.79 1.61 5.15 -1.26 -4.70 115.26 113.86 1g40 n ASN 233 Ca 0.00 -3.23 -0.13 0.00 -0.60 0.00 0.00 54.58 50.63 1g40 n ASN 233 Cb 0.00 0.91 -0.10 0.00 -0.53 0.00 0.00 39.78 40.06 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 -0.34 0.04 -0.07 -0.44 -4.23 -1.26 -5.10 115.64 104.24 1g40 s THR 234 Ca 0.31 -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 -0.75 3.43 -0.10 3.99 0.52 -1.26 -2.77 118.94 122.00 1g40 s TRP 235 Ca -0.08 0.36 0.00 0.00 0.02 0.00 0.00 56.10 56.40 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 0.63 -0.09 0.15 0.02 0.00 0.00 176.95 177.67 1g40 s LYS 236 N -1.34 1.63 0.02 4.98 1.02 -0.56 -1.56 119.74 123.94 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 -1.58 -0.04 0.00 -0.52 0.00 0.00 37.83 35.57 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 1.40 4.57 0.01 -1.68 0.04 -1.26 -3.74 135.00 134.35 1g40 s PRO 237 Ca -0.00 1.33 -0.08 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 0.00 177.00 175.34 1g40 n GLU 238 N 3.55 0.00 -1.49 4.56 4.07 -0.60 -4.70 120.64 126.03 1g40 n GLU 238 Ca 0.04 0.00 -0.61 0.00 -0.06 0.00 0.00 57.16 56.52 1g40 n GLU 238 Cb 0.51 -0.31 -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 1.25 -4.94 4.31 7.99 -1.26 -4.73 117.00 120.00 1g40 n LEU 239 Ca 0.05 0.86 -0.28 0.00 -0.01 0.00 0.00 56.01 56.62 1g40 n LEU 239 Cb 0.03 -0.96 0.15 0.00 -0.11 0.00 0.00 43.42 42.53 1g40 n LEU 239 CO 0.14 -0.75 0.77 -2.16 -1.51 0.00 0.00 177.39 173.88 1g40 s PRO 240 N 4.78 1.13 -0.04 3.23 0.04 -1.26 -4.97 135.00 137.92 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 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 31.17 1g40 s PRO 240 CO 0.69 -2.02 -0.10 0.21 0.04 0.00 0.00 177.00 175.83 1g40 s LYS 241 N -5.63 1.16 -0.47 4.56 2.20 -1.25 -4.63 119.74 115.67 1g40 s LYS 241 Ca 0.70 -0.33 -0.19 0.00 -0.36 0.00 0.00 55.97 55.79 1g40 s LYS 241 Cb -0.05 -1.05 0.04 0.00 -1.51 0.00 0.00 37.83 35.26 1g40 s LYS 241 CO 0.50 0.09 0.57 0.00 -0.36 0.00 0.00 175.35 176.15