#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gnd s SER 3 N 0.00 1.58 -0.10 -2.24 1.04 -1.26 -1.29 113.70 111.43 2gnd s SER 3 Ca 0.00 -0.38 -0.09 0.00 0.48 0.00 0.00 55.95 55.96 2gnd s SER 3 Cb 0.00 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.03 2gnd s SER 3 CO 0.00 0.07 0.27 -0.22 0.98 0.00 0.00 173.24 174.33 2gnd s LEU 4 N -0.86 0.95 -0.06 2.42 2.96 -0.45 -5.00 118.68 118.64 2gnd s LEU 4 Ca 0.02 0.54 -0.15 0.00 -0.22 0.00 0.00 54.13 54.32 2gnd s LEU 4 Cb -0.07 0.91 0.03 0.00 0.50 0.00 0.00 46.19 47.56 2gnd s LEU 4 CO 0.01 -0.10 0.35 -0.55 -1.32 0.00 0.00 176.35 174.74 2gnd s SER 5 N 0.20 -0.29 -0.02 3.68 0.15 -1.26 -1.27 113.70 114.89 2gnd s SER 5 Ca -0.00 0.36 -0.26 0.00 0.70 0.00 0.00 55.95 56.74 2gnd s SER 5 Cb -0.02 0.49 0.06 0.00 -1.71 0.00 0.00 66.02 64.83 2gnd s SER 5 CO -0.00 -0.34 0.58 0.72 1.20 0.00 0.00 173.24 175.40 2gnd s PHE 6 N -0.76 -0.53 -0.02 3.44 -0.12 -0.38 -5.01 117.98 114.61 2gnd s PHE 6 Ca -0.08 0.83 0.01 0.00 -0.05 0.00 0.00 56.93 57.63 2gnd s PHE 6 Cb -0.04 0.35 0.01 0.00 -0.63 0.00 0.00 43.02 42.71 2gnd s PHE 6 CO 0.03 -0.59 -0.01 0.20 -0.05 0.00 0.00 175.22 174.81 2gnd s GLY 7 N -1.42 0.17 -0.60 1.99 0.00 -1.26 -0.82 107.32 105.38 2gnd s GLY 7 Ca -0.10 0.06 0.04 0.00 0.00 0.00 0.00 44.72 44.72 2gnd s GLY 7 CO 0.06 0.30 0.36 -1.36 0.00 0.00 0.00 173.10 172.46 2gnd s PHE 8 N 0.54 3.34 0.47 1.90 0.40 0.33 -4.92 117.98 120.04 2gnd s PHE 8 Ca -0.05 -3.23 0.12 0.00 -0.60 0.00 0.00 56.93 53.17 2gnd s PHE 8 Cb -0.08 -2.79 1.08 0.00 0.51 0.00 0.00 43.02 41.73 2gnd s PHE 8 CO -0.01 -0.67 2.09 -1.35 0.70 0.00 0.00 175.22 175.98 2gnd h PRO 9 N 6.08 0.20 -3.88 0.24 0.11 -1.91 -1.51 132.00 131.34 2gnd h PRO 9 Ca 0.01 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.93 2gnd h PRO 9 Cb 0.84 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.82 2gnd h PRO 9 CO 0.70 0.16 -0.15 0.95 -0.21 0.00 0.00 178.00 179.46 2gnd s THR 10 N -5.16 0.00 -0.66 -1.15 -4.23 -1.26 -4.56 115.64 98.61 2gnd s THR 10 Ca -0.06 -1.50 0.05 0.00 -1.18 0.00 0.00 61.69 58.99 2gnd s THR 10 Cb 0.17 -2.49 0.17 0.00 1.34 0.00 0.00 72.50 71.68 2gnd s THR 10 CO 0.70 0.00 0.46 -0.36 -0.54 0.00 0.00 174.62 174.88 2gnd s PHE 11 N -3.41 3.32 0.65 3.99 0.08 -0.47 -4.97 117.98 117.17 2gnd s PHE 11 Ca 0.27 -3.24 -0.18 0.00 0.12 0.00 0.00 56.93 53.91 2gnd s PHE 11 Cb -0.00 -2.57 -0.01 0.00 -0.57 0.00 0.00 43.02 39.87 2gnd s PHE 11 CO 0.15 -0.59 1.27 -2.14 -0.10 0.00 0.00 175.22 173.81 2gnd s PRO 12 N -1.21 2.54 0.65 0.24 0.02 -1.26 -3.61 135.00 132.37 2gnd s PRO 12 Ca 0.25 1.99 0.40 0.00 0.02 0.00 0.00 61.00 63.66 2gnd s PRO 12 Cb -0.06 -1.85 2.24 0.00 0.02 0.00 0.00 34.50 34.85 2gnd s PRO 12 CO -0.15 -1.58 2.31 0.66 -0.33 0.00 0.00 177.00 177.91 2gnd h SER 13 N 0.47 0.00 -1.79 2.53 4.64 -1.96 -3.37 113.55 114.07 2gnd h SER 13 Ca -0.50 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.18 2gnd h SER 13 Cb 1.33 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.28 2gnd h SER 13 CO 0.53 0.00 1.15 -0.62 -0.87 0.00 0.00 176.83 177.02 2gnd s ASP 14 N -5.32 6.53 -0.05 4.97 2.15 -1.26 -4.98 116.67 118.71 2gnd s ASP 14 Ca -0.05 -1.67 0.05 0.00 0.43 0.00 0.00 52.55 51.31 2gnd s ASP 14 Cb 0.13 -2.49 -0.02 0.00 -0.30 0.00 0.00 42.92 40.24 2gnd s ASP 14 CO 0.43 -1.32 -0.18 -1.10 -0.17 0.00 0.00 175.17 172.84 2gnd s GLN 15 N 3.93 2.47 0.00 4.34 -1.52 -1.26 -5.01 119.66 122.61 2gnd s GLN 15 Ca 0.39 -0.76 0.00 0.00 -1.95 0.00 0.00 55.36 53.03 2gnd s GLN 15 Cb -0.03 -2.30 0.00 0.00 -0.22 0.00 0.00 33.01 30.46 2gnd s GLN 15 CO -0.08 0.56 0.00 1.63 -0.25 0.00 0.00 175.29 177.15 2gnd n LYS 16 N 2.47 2.30 -0.53 2.91 4.76 -1.26 -4.79 118.16 124.02 2gnd n LYS 16 Ca -0.17 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.35 2gnd n LYS 16 Cb 0.52 -0.95 0.30 0.00 -1.84 0.00 0.00 35.03 33.06 2gnd n LYS 16 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2gnd n ASN 17 N -1.62 4.32 -4.61 4.39 3.02 -1.26 -4.95 115.26 114.55 2gnd n ASN 17 Ca 0.00 -2.60 -0.34 0.00 -0.03 0.00 0.00 54.58 51.61 2gnd n ASN 17 Cb 0.25 -0.52 -0.11 0.00 -0.61 0.00 0.00 39.78 38.79 2gnd n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2gnd s LEU 18 N -2.11 3.34 -0.33 3.41 1.43 -1.26 -0.52 118.68 122.64 2gnd s LEU 18 Ca 0.44 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 2gnd s LEU 18 Cb 0.31 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 2gnd s LEU 18 CO 0.17 0.35 0.21 -0.63 0.23 0.00 0.00 176.35 176.68 2gnd s ILE 19 N -0.70 5.01 -0.09 -0.59 1.01 0.52 -4.90 121.20 121.46 2gnd s ILE 19 Ca 0.11 -0.31 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 2gnd s ILE 19 Cb -0.11 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 2gnd s ILE 19 CO 0.02 0.01 0.35 -0.36 0.00 0.00 0.00 174.94 174.96 2gnd s PHE 20 N 1.68 3.59 0.06 3.97 0.08 -1.26 -1.49 117.98 124.61 2gnd s PHE 20 Ca 0.05 0.79 0.05 0.00 0.12 0.00 0.00 56.93 57.94 2gnd s PHE 20 Cb -0.17 -2.31 -0.03 0.00 -0.57 0.00 0.00 43.02 39.95 2gnd s PHE 20 CO 0.09 0.45 -0.14 -0.65 -0.10 0.00 0.00 175.22 174.87 2gnd s GLN 21 N -0.29 0.83 6.24 0.44 -0.21 0.22 -5.00 119.66 121.88 2gnd s GLN 21 Ca 0.21 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 54.71 2gnd s GLN 21 Cb -0.15 -0.82 0.00 0.00 1.00 0.00 0.00 33.01 33.04 2gnd s GLN 21 CO 0.09 0.19 0.00 0.41 -2.12 0.00 0.00 175.29 173.85 2gnd n GLY 22 N 1.48 2.52 0.52 3.09 0.00 -1.26 -1.79 105.19 109.75 2gnd n GLY 22 Ca -0.20 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.55 2gnd n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gnd n ASP 23 N 3.11 1.64 -4.71 1.61 8.00 0.68 -4.94 116.55 121.93 2gnd n ASP 23 Ca 0.00 -1.54 -0.43 0.00 0.71 0.00 0.00 54.79 53.53 2gnd n ASP 23 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2gnd n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gnd n ALA 24 N 0.28 1.65 -3.48 2.24 0.00 -1.11 -4.51 120.51 115.58 2gnd n ALA 24 Ca 0.18 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.90 2gnd n ALA 24 Cb 0.38 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.48 2gnd n ALA 24 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2gnd s GLN 25 N -1.23 0.96 0.07 0.00 -2.07 -0.65 -4.72 119.66 112.02 2gnd s GLN 25 Ca 0.60 -0.33 -0.27 0.00 -1.82 0.00 0.00 55.36 53.54 2gnd s GLN 25 Cb -0.56 0.44 -0.06 0.00 -1.09 0.00 0.00 33.01 31.74 2gnd s GLN 25 CO 0.56 -0.42 0.83 0.42 -1.32 0.00 0.00 175.29 175.37 2gnd s ILE 26 N -3.24 4.63 -0.20 3.63 -1.09 -1.26 -0.70 121.20 122.97 2gnd s ILE 26 Ca 0.03 1.78 -0.10 0.00 -2.23 0.00 0.00 60.65 60.14 2gnd s ILE 26 Cb -0.01 -4.19 0.07 0.00 -1.58 0.00 0.00 42.46 36.76 2gnd s ILE 26 CO -0.10 0.36 0.47 -0.54 -1.23 0.00 0.00 174.94 173.90 2gnd s LYS 27 N -0.09 0.43 -1.39 2.79 3.01 0.23 -4.92 119.74 119.80 2gnd s LYS 27 Ca 0.41 0.96 -0.06 0.00 -1.01 0.00 0.00 55.97 56.28 2gnd s LYS 27 Cb -0.22 0.15 0.03 0.00 -1.01 0.00 0.00 37.83 36.79 2gnd s LYS 27 CO 0.25 -0.19 0.85 0.09 0.51 0.00 0.00 175.35 176.87 2gnd n ASN 28 N 4.66 -2.87 -1.42 2.83 4.13 -1.26 -1.82 115.26 119.50 2gnd n ASN 28 Ca -0.18 -0.78 -0.17 0.00 1.68 0.00 0.00 54.58 55.13 2gnd n ASN 28 Cb 0.54 -4.10 -0.06 0.00 -1.54 0.00 0.00 39.78 34.61 2gnd n ASN 28 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2gnd n ASN 29 N -2.98 -5.06 -4.12 6.41 3.02 -1.25 -4.98 115.26 106.30 2gnd n ASN 29 Ca -0.15 0.35 -0.08 0.00 -0.03 0.00 0.00 54.58 54.66 2gnd n ASN 29 Cb 0.61 -4.08 -0.10 0.00 -0.61 0.00 0.00 39.78 35.60 2gnd n ASN 29 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gnd s ALA 30 N -2.67 0.70 -0.35 5.41 0.00 -0.76 -1.37 121.76 122.71 2gnd s ALA 30 Ca 0.00 -1.32 -0.17 0.00 0.00 0.00 0.00 51.96 50.48 2gnd s ALA 30 Cb 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 2gnd s ALA 30 CO 0.00 -0.39 0.44 0.08 0.00 0.00 0.00 175.76 175.89 2gnd s VAL 31 N -3.92 5.09 -0.56 0.00 1.01 -0.41 -0.60 120.40 121.02 2gnd s VAL 31 Ca 0.13 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 2gnd s VAL 31 Cb 0.07 -3.90 0.06 0.00 0.00 0.00 0.00 36.38 32.61 2gnd s VAL 31 CO -0.05 -0.17 0.78 -1.10 0.00 0.00 0.00 175.10 174.55 2gnd s GLN 32 N 2.19 3.16 0.12 2.72 -1.52 0.12 -1.04 119.66 125.42 2gnd s GLN 32 Ca 0.15 -0.78 -0.13 0.00 -1.95 0.00 0.00 55.36 52.65 2gnd s GLN 32 Cb -0.16 -4.13 -0.05 0.00 -0.22 0.00 0.00 33.01 28.45 2gnd s GLN 32 CO 0.13 -1.44 1.48 -0.07 -0.25 0.00 0.00 175.29 175.13 2gnd h LEU 33 N 10.37 0.86 -9.78 2.90 3.38 -1.65 -1.73 115.31 119.66 2gnd h LEU 33 Ca -0.28 -0.43 -0.60 0.00 0.09 0.00 0.00 57.88 56.66 2gnd h LEU 33 Cb 1.08 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 2gnd h LEU 33 CO 1.06 1.11 -0.55 0.42 0.09 0.00 0.00 178.44 180.56 2gnd s THR 34 N -4.51 4.78 0.42 0.22 -4.23 -1.26 -2.75 115.64 108.31 2gnd s THR 34 Ca -0.12 -0.78 -0.26 0.00 -1.18 0.00 0.00 61.69 59.35 2gnd s THR 34 Cb 0.10 -3.37 -0.10 0.00 1.34 0.00 0.00 72.50 70.47 2gnd s THR 34 CO 0.85 0.03 1.43 1.17 -0.54 0.00 0.00 174.62 177.56 2gnd n LYS 35 N 0.04 2.36 -4.04 3.99 3.00 -1.26 -4.78 118.16 117.47 2gnd n LYS 35 Ca -0.08 0.84 -0.13 0.00 -0.00 0.00 0.00 58.31 58.94 2gnd n LYS 35 Cb 0.53 -2.61 -0.13 0.00 0.00 0.00 0.00 35.03 32.81 2gnd n LYS 35 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2gnd s THR 36 N -1.16 0.29 1.26 3.15 -4.23 -1.26 -2.89 115.64 110.79 2gnd s THR 36 Ca 0.58 -0.43 -0.21 0.00 -1.18 0.00 0.00 61.69 60.45 2gnd s THR 36 Cb -0.47 -0.30 0.31 0.00 1.34 0.00 0.00 72.50 73.38 2gnd s THR 36 CO 0.60 -0.10 1.11 1.51 -0.54 0.00 0.00 174.62 177.19 2gnd s ASP 37 N -0.57 0.47 0.57 3.99 1.47 0.27 -4.75 116.67 118.11 2gnd s ASP 37 Ca -0.03 0.51 0.27 0.00 1.18 0.00 0.00 52.55 54.48 2gnd s ASP 37 Cb -0.04 -0.66 1.54 0.00 -0.34 0.00 0.00 42.92 43.41 2gnd s ASP 37 CO -0.00 -4.39 2.04 0.77 0.68 0.00 0.00 175.17 174.27 2gnd h SER 38 N -2.77 0.00 0.28 2.11 4.64 -2.02 0.23 113.55 116.02 2gnd h SER 38 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2gnd h SER 38 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2gnd h SER 38 CO 0.28 0.00 -0.10 0.59 -0.87 0.00 0.00 176.83 176.73 2gnd n ASN 39 N -3.97 0.60 0.00 4.97 3.02 -1.26 -4.90 115.26 113.72 2gnd n ASN 39 Ca 0.05 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 2gnd n ASN 39 Cb 0.45 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 2gnd n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gnd n GLY 40 N 1.25 0.63 3.79 7.41 0.00 0.81 -5.04 105.19 114.04 2gnd n GLY 40 Ca 0.15 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2gnd n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2gnd s ASN 41 N -2.12 7.18 0.61 1.61 0.02 -1.26 -4.76 114.94 116.22 2gnd s ASN 41 Ca 0.00 1.40 -0.18 0.00 -1.02 0.00 0.00 52.86 53.06 2gnd s ASN 41 Cb 0.00 -2.42 -0.03 0.00 0.02 0.00 0.00 41.25 38.83 2gnd s ASN 41 CO 0.00 0.21 1.20 -2.16 0.02 0.00 0.00 177.10 176.38 2gnd s PRO 42 N -0.95 2.87 0.23 -0.60 0.04 -1.26 -0.57 135.00 134.76 2gnd s PRO 42 Ca 0.32 1.80 0.07 0.00 0.04 0.00 0.00 61.00 63.23 2gnd s PRO 42 Cb -0.21 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 2gnd s PRO 42 CO 0.22 -1.28 -0.11 0.14 0.04 0.00 0.00 177.00 176.01 2gnd s VAL 43 N -1.68 1.63 0.84 -0.36 -7.23 -1.14 -4.81 120.40 107.66 2gnd s VAL 43 Ca 0.77 -2.17 -0.12 0.00 -1.81 0.00 0.00 61.98 58.65 2gnd s VAL 43 Cb -0.30 -2.17 0.13 0.00 0.56 0.00 0.00 36.38 34.60 2gnd s VAL 43 CO 0.35 -0.50 1.19 0.00 -0.31 0.00 0.00 175.10 175.83 2gnd s ALA 44 N -3.03 2.65 -0.92 1.32 0.00 -1.26 -4.59 121.76 115.93 2gnd s ALA 44 Ca 0.25 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 2gnd s ALA 44 Cb 0.01 -2.75 -0.00 0.00 0.00 0.00 0.00 23.12 20.37 2gnd s ALA 44 CO 0.08 -1.90 0.71 0.43 0.00 0.00 0.00 175.76 175.08 2gnd n SER 45 N -3.39 -5.98 -3.81 0.00 7.64 -0.41 -4.98 113.62 102.69 2gnd n SER 45 Ca 0.11 -0.71 -0.12 0.00 1.01 0.00 0.00 58.87 59.17 2gnd n SER 45 Cb 0.60 -3.48 -0.11 0.00 -1.01 0.00 0.00 64.21 60.22 2gnd n SER 45 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2gnd s THR 46 N -3.17 0.04 -0.04 0.44 -1.32 -0.76 -5.01 115.64 105.82 2gnd s THR 46 Ca 0.18 -0.30 -0.04 0.00 -1.21 0.00 0.00 61.69 60.33 2gnd s THR 46 Cb -0.06 -0.41 0.01 0.00 -1.51 0.00 0.00 72.50 70.53 2gnd s THR 46 CO 0.84 -0.16 0.11 -0.69 -2.21 0.00 0.00 174.62 172.50 2gnd s VAL 47 N -0.60 -0.00 -0.01 5.08 1.01 -1.26 -1.17 120.40 123.44 2gnd s VAL 47 Ca -0.07 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.72 2gnd s VAL 47 Cb -0.04 -0.16 0.04 0.00 0.00 0.00 0.00 36.38 36.21 2gnd s VAL 47 CO 0.01 0.00 0.43 -0.83 0.00 0.00 0.00 175.10 174.72 2gnd s GLY 48 N 0.13 -0.29 0.07 4.51 0.00 -0.77 -0.23 107.32 110.73 2gnd s GLY 48 Ca -0.01 0.59 -0.15 0.00 0.00 0.00 0.00 44.72 45.15 2gnd s GLY 48 CO -0.00 0.33 0.35 0.50 0.00 0.00 0.00 173.10 174.27 2gnd s ARG 49 N -1.51 0.90 0.03 2.90 0.52 -0.74 -1.69 118.95 119.35 2gnd s ARG 49 Ca -0.11 -0.55 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 2gnd s ARG 49 Cb -0.03 0.39 -0.02 0.00 0.52 0.00 0.00 34.95 35.82 2gnd s ARG 49 CO 0.05 -0.31 -0.07 0.96 0.02 0.00 0.00 175.30 175.94 2gnd s ILE 50 N -2.93 0.49 0.03 1.52 -4.36 -0.70 -0.61 121.20 114.65 2gnd s ILE 50 Ca -0.02 -0.88 0.02 0.00 -0.26 0.00 0.00 60.65 59.51 2gnd s ILE 50 Cb 0.00 -0.53 -0.02 0.00 1.25 0.00 0.00 42.46 43.16 2gnd s ILE 50 CO -0.06 -0.28 -0.07 -0.76 0.24 0.00 0.00 174.94 174.01 2gnd s LEU 51 N -1.25 2.18 0.21 0.37 2.01 -0.55 -1.57 118.68 120.08 2gnd s LEU 51 Ca -0.08 -0.42 -0.30 0.00 0.01 0.00 0.00 54.13 53.35 2gnd s LEU 51 Cb -0.08 -0.21 -0.08 0.00 0.01 0.00 0.00 46.19 45.82 2gnd s LEU 51 CO 0.00 -0.12 1.01 0.12 1.01 0.00 0.00 176.35 178.37 2gnd s PHE 52 N -1.00 3.80 0.15 0.29 5.36 -0.74 -0.36 117.98 125.49 2gnd s PHE 52 Ca -0.06 1.80 -0.15 0.00 -0.96 0.00 0.00 56.93 57.56 2gnd s PHE 52 Cb -0.08 -3.11 0.03 0.00 -0.34 0.00 0.00 43.02 39.52 2gnd s PHE 52 CO 0.00 0.01 1.75 0.66 -1.46 0.00 0.00 175.22 176.18 2gnd h SER 53 N 4.50 0.60 -3.49 6.13 4.64 -1.15 -3.43 113.55 121.35 2gnd h SER 53 Ca -0.45 -0.11 -0.52 0.00 -0.47 0.00 0.00 61.79 60.24 2gnd h SER 53 Cb 1.21 -0.15 0.05 0.00 -0.31 0.00 0.00 62.40 63.19 2gnd h SER 53 CO 0.69 0.54 0.69 0.00 -0.87 0.00 0.00 176.83 177.88 2gnd s ALA 54 N -5.78 3.56 0.29 5.18 0.00 -1.26 -4.99 121.76 118.76 2gnd s ALA 54 Ca -0.13 1.22 -0.27 0.00 0.00 0.00 0.00 51.96 52.78 2gnd s ALA 54 Cb 0.11 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 2gnd s ALA 54 CO 0.75 -0.63 0.92 -0.65 0.00 0.00 0.00 175.76 176.16 2gnd s GLN 55 N -0.57 4.63 -0.14 0.00 -0.21 -1.26 -4.82 119.66 117.29 2gnd s GLN 55 Ca 0.56 1.33 -0.11 0.00 0.02 0.00 0.00 55.36 57.16 2gnd s GLN 55 Cb -0.39 -2.94 -0.05 0.00 1.00 0.00 0.00 33.01 30.63 2gnd s GLN 55 CO 0.43 0.36 0.23 0.08 -2.12 0.00 0.00 175.29 174.27 2gnd s VAL 56 N -1.48 5.35 -0.82 1.09 1.01 0.17 -4.90 120.40 120.81 2gnd s VAL 56 Ca 0.47 0.41 -0.21 0.00 0.00 0.00 0.00 61.98 62.65 2gnd s VAL 56 Cb -0.20 -3.54 0.10 0.00 0.00 0.00 0.00 36.38 32.73 2gnd s VAL 56 CO 0.26 0.48 1.08 -2.28 0.00 0.00 0.00 175.10 174.63 2gnd s HIS 57 N -0.10 2.88 0.09 5.22 2.46 -1.26 -1.01 115.29 123.57 2gnd s HIS 57 Ca 0.15 -0.98 -0.16 0.00 0.47 0.00 0.00 55.06 54.54 2gnd s HIS 57 Cb -0.13 -4.32 -0.08 0.00 -0.13 0.00 0.00 32.58 27.93 2gnd s HIS 57 CO 0.03 -1.59 1.45 1.25 -2.47 0.00 0.00 174.74 173.41 2gnd h LEU 58 N 11.00 0.62 -7.29 8.88 5.85 -0.95 -3.42 115.31 130.00 2gnd h LEU 58 Ca -0.04 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 2gnd h LEU 58 Cb 1.04 -0.17 -0.13 0.00 0.37 0.00 0.00 40.66 41.77 2gnd h LEU 58 CO 1.16 0.90 -0.00 -1.66 -0.34 0.00 0.00 178.44 178.50 2gnd s TRP 59 N -4.57 -0.30 -0.20 1.25 1.48 -1.12 0.20 118.94 115.67 2gnd s TRP 59 Ca -0.13 0.07 -0.01 0.00 -1.06 0.00 0.00 56.10 54.97 2gnd s TRP 59 Cb 0.08 0.33 0.05 0.00 -1.16 0.00 0.00 33.47 32.77 2gnd s TRP 59 CO 0.80 -0.72 -0.03 -2.00 -4.06 0.00 0.00 176.95 170.94 2gnd s GLU 60 N -3.55 1.31 0.05 3.25 2.12 -0.54 -4.53 118.70 116.82 2gnd s GLU 60 Ca 0.01 -0.67 -0.21 0.00 0.36 0.00 0.00 54.97 54.46 2gnd s GLU 60 Cb 0.01 -2.25 -0.10 0.00 0.26 0.00 0.00 34.13 32.05 2gnd s GLU 60 CO -0.10 -0.55 1.33 -0.22 -0.54 0.00 0.00 175.26 175.18 2gnd h LYS 61 N 8.09 -0.58 0.00 4.30 3.64 -1.98 -0.15 116.57 129.89 2gnd h LYS 61 Ca -0.20 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2gnd h LYS 61 Cb 1.10 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2gnd h LYS 61 CO 0.39 -0.39 0.04 -1.13 -2.27 0.00 0.00 179.45 176.09 2gnd n SER 62 N -4.20 0.00 -0.00 4.20 3.41 -1.26 -1.78 113.62 113.99 2gnd n SER 62 Ca -0.07 0.30 0.02 0.00 -0.26 0.00 0.00 58.87 58.86 2gnd n SER 62 Cb 0.28 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 63.89 2gnd n SER 62 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2gnd n SER 63 N -1.28 2.67 -1.62 4.04 2.88 -0.95 -5.00 113.62 114.37 2gnd n SER 63 Ca 0.00 -0.20 -0.16 0.00 -1.33 0.00 0.00 58.87 57.18 2gnd n SER 63 Cb 0.04 1.16 -0.03 0.00 -0.75 0.00 0.00 64.21 64.62 2gnd n SER 63 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2gnd n SER 64 N -1.49 -4.88 -4.79 -3.46 7.64 -0.11 -4.96 113.62 101.57 2gnd n SER 64 Ca -0.00 0.15 -0.31 0.00 1.01 0.00 0.00 58.87 59.72 2gnd n SER 64 Cb 0.11 -3.92 -0.06 0.00 -1.01 0.00 0.00 64.21 59.33 2gnd n SER 64 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2gnd s ARG 65 N -4.25 2.93 -0.00 1.43 0.52 -1.14 -3.43 118.95 115.01 2gnd s ARG 65 Ca 0.00 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 2gnd s ARG 65 Cb 0.00 -2.76 -0.01 0.00 0.52 0.00 0.00 34.95 32.71 2gnd s ARG 65 CO 0.00 0.57 -0.07 0.08 0.02 0.00 0.00 175.30 175.90 2gnd s VAL 66 N -1.40 0.57 0.48 3.52 1.01 -0.23 -1.46 120.40 122.88 2gnd s VAL 66 Ca 0.30 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.71 2gnd s VAL 66 Cb -0.12 -0.48 -0.07 0.00 0.00 0.00 0.00 36.38 35.70 2gnd s VAL 66 CO 0.23 0.13 1.13 0.00 0.00 0.00 0.00 175.10 176.58 2gnd s ALA 67 N -0.23 2.90 -0.27 5.51 0.00 0.13 -1.48 121.76 128.32 2gnd s ALA 67 Ca 0.02 0.84 -0.05 0.00 0.00 0.00 0.00 51.96 52.77 2gnd s ALA 67 Cb -0.03 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.75 2gnd s ALA 67 CO -0.00 -0.59 0.02 1.21 0.00 0.00 0.00 175.76 176.40 2gnd s ASN 68 N -1.57 4.78 0.16 0.00 3.04 0.46 -4.37 114.94 117.43 2gnd s ASN 68 Ca 0.66 -0.67 0.05 0.00 0.04 0.00 0.00 52.86 52.94 2gnd s ASN 68 Cb -0.25 -1.80 -0.04 0.00 -1.54 0.00 0.00 41.25 37.61 2gnd s ASN 68 CO 0.30 -0.14 -0.12 0.72 -3.04 0.00 0.00 177.10 174.83 2gnd s PHE 69 N 1.46 1.38 -0.01 0.43 -0.12 -1.16 -1.37 117.98 118.59 2gnd s PHE 69 Ca 0.03 -0.69 -0.00 0.00 -0.05 0.00 0.00 56.93 56.22 2gnd s PHE 69 Cb -0.16 -0.68 0.01 0.00 -0.63 0.00 0.00 43.02 41.55 2gnd s PHE 69 CO -0.00 0.15 0.01 -0.65 -0.05 0.00 0.00 175.22 174.68 2gnd s GLN 70 N -3.57 -0.01 -0.16 1.99 -0.21 0.10 -1.38 119.66 116.41 2gnd s GLN 70 Ca 0.17 0.07 -0.01 0.00 0.02 0.00 0.00 55.36 55.60 2gnd s GLN 70 Cb 0.01 -0.08 0.05 0.00 1.00 0.00 0.00 33.01 33.98 2gnd s GLN 70 CO 0.02 -0.06 -0.02 0.45 -2.12 0.00 0.00 175.29 173.57 2gnd s SER 71 N 0.36 2.71 -0.13 5.90 0.15 0.75 -1.85 113.70 121.60 2gnd s SER 71 Ca -0.03 -0.65 -0.02 0.00 0.70 0.00 0.00 55.95 55.95 2gnd s SER 71 Cb -0.04 -0.76 -0.03 0.00 -1.71 0.00 0.00 66.02 63.48 2gnd s SER 71 CO -0.01 -0.22 -0.05 -1.58 1.20 0.00 0.00 173.24 172.58 2gnd s GLN 72 N 1.74 3.40 0.18 5.44 -0.44 -0.56 -0.75 119.66 128.67 2gnd s GLN 72 Ca 0.01 -0.53 -0.22 0.00 -2.50 0.00 0.00 55.36 52.11 2gnd s GLN 72 Cb -0.15 -2.81 0.06 0.00 -1.64 0.00 0.00 33.01 28.47 2gnd s GLN 72 CO -0.07 0.37 0.61 -0.59 0.50 0.00 0.00 175.29 176.10 2gnd s PHE 73 N 0.01 -0.45 0.01 1.67 -0.12 0.06 -1.27 117.98 117.90 2gnd s PHE 73 Ca 0.00 0.18 0.01 0.00 -0.05 0.00 0.00 56.93 57.08 2gnd s PHE 73 Cb -0.13 0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 42.81 2gnd s PHE 73 CO 0.03 -0.91 -0.05 -1.54 -0.05 0.00 0.00 175.22 172.70 2gnd s SER 74 N -2.79 0.51 0.21 1.98 1.04 -1.04 0.25 113.70 113.87 2gnd s SER 74 Ca 0.03 -0.24 -0.09 0.00 0.48 0.00 0.00 55.95 56.13 2gnd s SER 74 Cb -0.02 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 2gnd s SER 74 CO -0.09 -0.06 0.34 0.72 0.98 0.00 0.00 173.24 175.13 2gnd s PHE 75 N -0.58 0.58 0.03 5.02 -0.71 -1.00 -0.28 117.98 121.04 2gnd s PHE 75 Ca -0.04 -0.91 -0.03 0.00 -1.04 0.00 0.00 56.93 54.92 2gnd s PHE 75 Cb -0.05 -0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 41.68 2gnd s PHE 75 CO -0.00 -0.83 0.04 -1.54 -1.34 0.00 0.00 175.22 171.54 2gnd s SER 76 N -3.04 0.22 -0.02 1.98 1.04 -0.60 -0.78 113.70 112.50 2gnd s SER 76 Ca 0.26 -0.52 0.04 0.00 0.48 0.00 0.00 55.95 56.21 2gnd s SER 76 Cb 0.02 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 2gnd s SER 76 CO 0.08 -0.41 -0.14 -0.76 0.98 0.00 0.00 173.24 172.99 2gnd s LEU 77 N -1.82 1.98 0.00 2.42 1.43 -1.26 -1.61 118.68 119.82 2gnd s LEU 77 Ca -0.10 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 2gnd s LEU 77 Cb -0.05 -0.75 -0.00 0.00 0.03 0.00 0.00 46.19 45.42 2gnd s LEU 77 CO -0.03 0.16 -0.02 -0.54 0.23 0.00 0.00 176.35 176.15 2gnd s LYS 78 N -0.21 0.16 -0.28 1.70 1.02 -1.21 0.47 119.74 121.39 2gnd s LYS 78 Ca 0.03 -0.11 -0.19 0.00 0.02 0.00 0.00 55.97 55.72 2gnd s LYS 78 Cb -0.07 -0.13 0.10 0.00 -0.52 0.00 0.00 37.83 37.21 2gnd s LYS 78 CO -0.00 0.03 0.80 0.45 -0.92 0.00 0.00 175.35 175.71 2gnd s SER 79 N -0.15 -0.75 0.26 2.83 0.15 -1.26 -1.14 113.70 113.63 2gnd s SER 79 Ca -0.00 1.27 0.25 0.00 0.70 0.00 0.00 55.95 58.17 2gnd s SER 79 Cb -0.01 1.31 0.94 0.00 -1.71 0.00 0.00 66.02 66.55 2gnd s SER 79 CO -0.00 -0.21 1.74 -0.81 1.20 0.00 0.00 173.24 175.16 2gnd n PRO 80 N 3.60 0.22 -2.00 5.44 -0.04 -1.26 -4.77 135.00 136.19 2gnd n PRO 80 Ca -0.18 0.37 -0.31 0.00 -0.04 0.00 0.00 63.50 63.34 2gnd n PRO 80 Cb 0.57 -1.87 -0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2gnd n PRO 80 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2gnd s LEU 81 N -4.56 3.33 0.13 1.53 1.43 -1.26 -4.97 118.68 114.31 2gnd s LEU 81 Ca 0.06 1.46 0.26 0.00 -1.03 0.00 0.00 54.13 54.89 2gnd s LEU 81 Cb 0.10 -4.48 0.80 0.00 0.03 0.00 0.00 46.19 42.64 2gnd s LEU 81 CO 0.45 -0.81 1.70 -1.54 0.23 0.00 0.00 176.35 176.39 2gnd n SER 82 N -2.46 0.58 -3.12 2.29 3.41 -1.26 -4.24 113.62 108.83 2gnd n SER 82 Ca 0.06 0.42 -0.21 0.00 -0.26 0.00 0.00 58.87 58.88 2gnd n SER 82 Cb 0.54 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 2gnd n SER 82 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2gnd n ASN 83 N -2.00 1.95 -4.69 4.04 6.94 -1.26 -5.10 115.26 115.13 2gnd n ASN 83 Ca 0.05 -3.21 -0.42 0.00 -0.02 0.00 0.00 54.58 50.99 2gnd n ASN 83 Cb 0.40 -0.60 0.01 0.00 -2.36 0.00 0.00 39.78 37.23 2gnd n ASN 83 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2gnd n GLY 84 N 0.16 0.49 3.21 4.83 0.00 -1.26 -4.62 105.19 108.00 2gnd n GLY 84 Ca 0.27 0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.42 2gnd n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gnd s ALA 85 N -1.17 0.69 -0.11 4.61 0.00 -1.24 -4.31 121.76 120.24 2gnd s ALA 85 Ca 0.59 -1.36 0.11 0.00 0.00 0.00 0.00 51.96 51.30 2gnd s ALA 85 Cb -0.53 0.94 -0.17 0.00 0.00 0.00 0.00 23.12 23.36 2gnd s ALA 85 CO 0.59 -0.55 0.29 -0.25 0.00 0.00 0.00 175.76 175.85 2gnd n ASP 86 N -0.15 2.07 0.00 0.00 8.00 0.12 -2.95 116.55 123.65 2gnd n ASP 86 Ca -0.05 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2gnd n ASP 86 Cb 0.64 1.42 0.00 0.00 -0.02 0.00 0.00 41.12 43.16 2gnd n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gnd n GLY 87 N 1.75 2.81 3.25 0.44 0.00 -1.23 -2.94 105.19 109.27 2gnd n GLY 87 Ca -0.01 -1.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.02 2gnd n GLY 87 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2gnd s ILE 88 N -1.82 1.50 -0.04 -0.61 2.07 -0.96 -3.14 121.20 118.20 2gnd s ILE 88 Ca 0.00 -1.58 -0.06 0.00 -1.41 0.00 0.00 60.65 57.60 2gnd s ILE 88 Cb 0.00 -1.47 0.01 0.00 0.13 0.00 0.00 42.46 41.13 2gnd s ILE 88 CO 0.00 -0.22 0.16 0.00 -1.91 0.00 0.00 174.94 172.97 2gnd s ALA 89 N -1.53 -0.38 -0.12 1.50 0.00 1.00 -1.09 121.76 121.13 2gnd s ALA 89 Ca 0.06 0.27 -0.14 0.00 0.00 0.00 0.00 51.96 52.14 2gnd s ALA 89 Cb -0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 2gnd s ALA 89 CO 0.04 -0.12 0.34 0.12 0.00 0.00 0.00 175.76 176.14 2gnd s PHE 90 N -0.41 3.53 0.10 0.00 5.36 -0.73 -0.62 117.98 125.22 2gnd s PHE 90 Ca -0.05 0.72 -0.03 0.00 -0.96 0.00 0.00 56.93 56.61 2gnd s PHE 90 Cb -0.03 -2.35 -0.03 0.00 -0.34 0.00 0.00 43.02 40.27 2gnd s PHE 90 CO 0.01 0.33 0.08 -0.59 -1.46 0.00 0.00 175.22 173.59 2gnd s PHE 91 N 0.11 0.58 -0.10 10.12 -0.71 -0.06 -0.86 117.98 127.06 2gnd s PHE 91 Ca 0.20 -1.02 0.00 0.00 -1.04 0.00 0.00 56.93 55.07 2gnd s PHE 91 Cb -0.14 -0.33 0.02 0.00 -1.21 0.00 0.00 43.02 41.36 2gnd s PHE 91 CO 0.07 -0.51 -0.09 0.42 -1.34 0.00 0.00 175.22 173.77 2gnd s ILE 92 N -3.97 1.09 0.27 -4.49 1.01 0.41 -2.04 121.20 113.48 2gnd s ILE 92 Ca 0.15 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 2gnd s ILE 92 Cb 0.07 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 2gnd s ILE 92 CO -0.04 0.37 0.33 0.00 0.00 0.00 0.00 174.94 175.60 2gnd s ALA 93 N 1.44 0.85 0.69 9.38 0.00 -0.93 -2.11 121.76 131.09 2gnd s ALA 93 Ca 0.00 -1.53 -0.17 0.00 0.00 0.00 0.00 51.96 50.27 2gnd s ALA 93 Cb -0.13 1.27 0.02 0.00 0.00 0.00 0.00 23.12 24.27 2gnd s ALA 93 CO -0.06 -0.72 1.27 -2.30 0.00 0.00 0.00 175.76 173.96 2gnd n PRO 94 N -0.44 0.85 -0.30 0.00 -0.02 -1.26 -1.32 135.00 132.51 2gnd n PRO 94 Ca 0.02 0.35 0.19 0.00 -2.02 0.00 0.00 63.50 62.04 2gnd n PRO 94 Cb 0.63 -2.51 0.47 0.00 -0.02 0.00 0.00 33.50 32.07 2gnd n PRO 94 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2gnd h PRO 95 N 0.12 0.47 -0.27 0.52 0.11 -1.87 -1.85 132.00 129.23 2gnd h PRO 95 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2gnd h PRO 95 Cb 1.33 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2gnd h PRO 95 CO 0.51 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 2gnd n ASP 96 N -4.61 1.45 -4.66 -2.05 3.85 -1.26 -4.88 116.55 104.39 2gnd n ASP 96 Ca 0.23 -1.98 -0.44 0.00 -0.71 0.00 0.00 54.79 51.88 2gnd n ASP 96 Cb 0.74 -0.18 -0.02 0.00 -1.35 0.00 0.00 41.12 40.32 2gnd n ASP 96 CO 0.00 0.00 0.00 1.07 -1.01 0.00 0.00 177.20 177.26 2gnd n THR 97 N 0.29 1.34 -4.29 2.12 5.66 -0.70 -5.01 114.28 113.69 2gnd n THR 97 Ca 0.09 -0.34 -0.16 0.00 -3.05 0.00 0.00 64.05 60.60 2gnd n THR 97 Cb 0.23 -1.41 -0.10 0.00 -1.55 0.00 0.00 70.33 67.50 2gnd n THR 97 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2gnd s THR 98 N -0.46 0.42 -0.12 1.09 -4.23 -1.26 -5.09 115.64 106.00 2gnd s THR 98 Ca 0.64 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.86 2gnd s THR 98 Cb -0.65 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 2gnd s THR 98 CO 0.54 0.00 1.50 -0.63 -0.54 0.00 0.00 174.62 175.49 2gnd s ILE 99 N -3.83 3.86 0.58 2.99 1.01 -1.26 -4.98 121.20 119.58 2gnd s ILE 99 Ca 0.38 1.04 -0.20 0.00 0.00 0.00 0.00 60.65 61.86 2gnd s ILE 99 Cb 0.07 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 2gnd s ILE 99 CO 0.14 -0.12 1.29 -2.84 0.00 0.00 0.00 174.94 173.41 2gnd s PRO 100 N 3.90 3.00 0.15 2.79 0.02 -1.26 -4.93 135.00 138.67 2gnd s PRO 100 Ca 0.66 2.06 -0.31 0.00 0.02 0.00 0.00 61.00 63.43 2gnd s PRO 100 Cb -0.28 -2.09 -0.09 0.00 0.02 0.00 0.00 34.50 32.07 2gnd s PRO 100 CO 0.24 -1.25 1.42 0.45 -0.33 0.00 0.00 177.00 177.53 2gnd s SER 101 N -1.25 6.77 -1.03 2.53 0.15 -1.26 -2.69 113.70 116.92 2gnd s SER 101 Ca 0.75 2.43 0.00 0.00 0.70 0.00 0.00 55.95 59.83 2gnd s SER 101 Cb -0.36 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.35 2gnd s SER 101 CO 0.41 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2gnd n GLY 102 N 3.29 -0.10 1.40 9.45 0.00 -1.26 -4.50 105.19 113.47 2gnd n GLY 102 Ca 0.11 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.82 2gnd n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gnd n SER 103 N -0.29 4.12 -2.68 1.61 3.41 -1.10 -4.25 113.62 114.44 2gnd n SER 103 Ca -0.14 -2.44 -0.06 0.00 -0.26 0.00 0.00 58.87 55.97 2gnd n SER 103 Cb 0.60 -0.55 0.05 0.00 -0.26 0.00 0.00 64.21 64.06 2gnd n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gnd n GLY 104 N 0.89 -2.35 7.00 5.00 0.00 -1.26 0.42 105.19 114.89 2gnd n GLY 104 Ca 0.21 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2gnd n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gnd n GLY 105 N 1.25 3.01 0.19 -0.02 0.00 -1.26 -1.89 105.19 106.47 2gnd n GLY 105 Ca 0.03 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.09 2gnd n GLY 105 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2gnd h GLY 106 N 0.00 0.00 0.11 -0.02 0.00 -1.92 -0.89 103.07 100.35 2gnd h GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gnd h GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 2gnd n LEU 107 N -2.33 0.81 -1.13 3.11 4.77 -0.79 -4.91 117.00 116.52 2gnd n LEU 107 Ca -0.02 -0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 55.59 2gnd n LEU 107 Cb 0.10 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 2gnd n LEU 107 CO 0.10 0.15 -0.08 0.18 -1.33 0.00 0.00 177.39 176.41 2gnd n LEU 108 N -0.33 -0.57 -0.13 2.23 4.77 -0.34 -1.28 117.00 121.35 2gnd n LEU 108 Ca 0.19 0.21 -0.02 0.00 -0.03 0.00 0.00 56.01 56.37 2gnd n LEU 108 Cb 0.23 -1.57 -0.01 0.00 -2.33 0.00 0.00 43.42 39.74 2gnd n LEU 108 CO 0.15 -0.50 -0.02 0.61 -1.33 0.00 0.00 177.39 176.31 2gnd n GLY 109 N -0.11 0.51 0.06 -0.72 0.00 0.17 -3.91 105.19 101.20 2gnd n GLY 109 Ca -0.09 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 2gnd n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gnd n LEU 110 N -0.19 0.51 -4.33 0.99 4.77 -0.41 -4.41 117.00 113.94 2gnd n LEU 110 Ca -0.02 -0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.71 2gnd n LEU 110 Cb 0.13 0.15 -0.12 0.00 -2.33 0.00 0.00 43.42 41.25 2gnd n LEU 110 CO 0.03 0.37 -0.51 -0.36 -1.33 0.00 0.00 177.39 175.58 2gnd s PHE 111 N -2.29 1.90 0.16 -1.77 0.40 -1.18 -4.82 117.98 110.39 2gnd s PHE 111 Ca -0.08 -0.43 -0.18 0.00 -0.60 0.00 0.00 56.93 55.64 2gnd s PHE 111 Cb 0.04 -1.00 -0.07 0.00 0.51 0.00 0.00 43.02 42.50 2gnd s PHE 111 CO 0.46 0.29 0.63 0.00 0.70 0.00 0.00 175.22 177.30 2gnd s ALA 112 N -1.51 3.51 0.22 5.36 0.00 -1.26 -4.19 121.76 123.89 2gnd s ALA 112 Ca 0.12 0.04 -0.08 0.00 0.00 0.00 0.00 51.96 52.04 2gnd s ALA 112 Cb -0.08 -2.68 0.36 0.00 0.00 0.00 0.00 23.12 20.72 2gnd s ALA 112 CO 0.06 0.39 1.70 -1.35 0.00 0.00 0.00 175.76 176.55 2gnd h PRO 113 N 3.77 0.27 -0.80 0.00 0.11 -1.79 0.95 132.00 134.51 2gnd h PRO 113 Ca -0.48 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.65 2gnd h PRO 113 Cb 1.20 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 2gnd h PRO 113 CO 0.65 0.18 0.53 0.78 -0.21 0.00 0.00 178.00 179.93 2gnd h GLY 114 N 0.28 1.13 -0.03 -0.55 0.00 -1.94 -3.20 103.07 98.76 2gnd h GLY 114 Ca 0.36 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2gnd h GLY 114 CO -0.44 0.31 0.00 -1.30 0.00 0.00 0.00 176.54 175.11 2gnd n THR 115 N -4.46 1.55 -0.32 4.70 -2.24 -0.96 -4.79 114.28 107.76 2gnd n THR 115 Ca 0.11 -1.78 0.36 0.00 -2.27 0.00 0.00 64.05 60.47 2gnd n THR 115 Cb 0.15 0.04 0.74 0.00 -2.10 0.00 0.00 70.33 69.17 2gnd n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gnd h ALA 116 N 0.03 3.12 -0.05 6.98 0.00 -0.82 0.18 119.26 128.70 2gnd h ALA 116 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2gnd h ALA 116 Cb 0.82 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2gnd h ALA 116 CO 0.00 -1.51 0.00 1.04 0.00 0.00 0.00 179.25 178.78 2gnd n GLN 117 N -4.08 2.66 -3.20 0.00 6.02 -1.26 -0.96 117.38 116.57 2gnd n GLN 117 Ca 0.26 -1.82 -0.46 0.00 -0.01 0.00 0.00 57.00 54.97 2gnd n GLN 117 Cb 1.29 -1.16 -0.03 0.00 1.02 0.00 0.00 30.24 31.36 2gnd n GLN 117 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2gnd s ASN 118 N -1.38 6.53 0.56 1.08 3.84 0.05 -4.91 114.94 120.71 2gnd s ASN 118 Ca 0.11 -2.16 0.26 0.00 0.21 0.00 0.00 52.86 51.27 2gnd s ASN 118 Cb 0.08 -2.27 1.48 0.00 -0.55 0.00 0.00 41.25 39.99 2gnd s ASN 118 CO 0.03 -0.83 2.02 0.71 -2.79 0.00 0.00 177.10 176.24 2gnd h THR 119 N 5.39 0.62 0.00 -5.21 1.35 -1.82 0.17 112.91 113.41 2gnd h THR 119 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 2gnd h THR 119 Cb 1.06 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2gnd h THR 119 CO 0.94 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 175.01 2gnd n SER 120 N -4.12 0.00 -0.34 5.36 7.64 -1.26 -3.13 113.62 117.77 2gnd n SER 120 Ca 0.06 0.20 0.10 0.00 1.01 0.00 0.00 58.87 60.24 2gnd n SER 120 Cb 0.50 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 2gnd n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gnd n ALA 121 N -1.39 3.77 -2.40 -0.43 0.00 0.59 -4.99 120.51 115.66 2gnd n ALA 121 Ca 0.10 -0.60 -0.20 0.00 0.00 0.00 0.00 53.44 52.73 2gnd n ALA 121 Cb 0.26 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 18.88 2gnd n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2gnd s ASN 122 N -2.48 2.69 -0.42 0.00 0.01 -1.19 -5.09 114.94 108.47 2gnd s ASN 122 Ca 0.14 -0.96 0.02 0.00 -0.71 0.00 0.00 52.86 51.36 2gnd s ASN 122 Cb 0.16 -0.16 0.15 0.00 0.41 0.00 0.00 41.25 41.82 2gnd s ASN 122 CO 0.61 -0.10 0.28 -1.10 -1.51 0.00 0.00 177.10 175.28 2gnd s GLN 123 N -3.30 1.03 -0.19 -0.60 -0.21 -1.26 -4.79 119.66 110.34 2gnd s GLN 123 Ca 0.20 -1.93 -0.28 0.00 0.02 0.00 0.00 55.36 53.38 2gnd s GLN 123 Cb -0.03 -1.80 0.09 0.00 1.00 0.00 0.00 33.01 32.26 2gnd s GLN 123 CO 0.07 -1.26 0.81 0.54 -2.12 0.00 0.00 175.29 173.34 2gnd s VAL 124 N 0.35 0.00 -0.09 1.09 0.11 -1.26 -4.24 120.40 116.35 2gnd s VAL 124 Ca 0.23 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.29 2gnd s VAL 124 Cb -0.14 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.73 2gnd s VAL 124 CO -0.07 0.00 -0.12 -0.63 -3.33 0.00 0.00 175.10 170.95 2gnd s ILE 125 N -0.37 1.21 0.01 7.04 1.01 -0.90 -1.12 121.20 128.09 2gnd s ILE 125 Ca -0.03 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.09 2gnd s ILE 125 Cb -0.03 -1.14 -0.00 0.00 0.01 0.00 0.00 42.46 41.30 2gnd s ILE 125 CO 0.02 0.38 0.12 0.00 0.00 0.00 0.00 174.94 175.46 2gnd s ALA 126 N 1.07 -0.23 -0.30 9.38 0.00 -0.08 -0.45 121.76 131.16 2gnd s ALA 126 Ca -0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 2gnd s ALA 126 Cb -0.15 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.16 2gnd s ALA 126 CO -0.02 -0.24 0.03 0.08 0.00 0.00 0.00 175.76 175.62 2gnd s VAL 127 N -1.72 3.39 0.07 0.00 1.01 -0.04 0.24 120.40 123.36 2gnd s VAL 127 Ca -0.12 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.80 2gnd s VAL 127 Cb -0.06 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2gnd s VAL 127 CO -0.00 -0.01 0.13 -1.83 0.00 0.00 0.00 175.10 173.39 2gnd s GLU 128 N 1.36 3.11 -0.44 2.72 -1.05 0.58 -1.77 118.70 123.21 2gnd s GLU 128 Ca -0.01 -0.59 0.03 0.00 -0.15 0.00 0.00 54.97 54.25 2gnd s GLU 128 Cb -0.18 -2.85 0.12 0.00 -0.44 0.00 0.00 34.13 30.77 2gnd s GLU 128 CO -0.00 0.58 0.18 -0.06 0.95 0.00 0.00 175.26 176.91 2gnd s PHE 129 N -1.45 3.15 -0.30 4.83 0.40 -0.25 -0.83 117.98 123.53 2gnd s PHE 129 Ca 0.32 -2.95 -0.14 0.00 -0.60 0.00 0.00 56.93 53.56 2gnd s PHE 129 Cb -0.12 -2.68 -0.03 0.00 0.51 0.00 0.00 43.02 40.69 2gnd s PHE 129 CO 0.24 -0.82 0.32 0.34 0.70 0.00 0.00 175.22 176.00 2gnd s ASP 130 N 0.29 6.17 -0.00 1.36 -1.08 -0.19 -2.25 116.67 120.97 2gnd s ASP 130 Ca 0.15 0.04 0.16 0.00 -0.52 0.00 0.00 52.55 52.38 2gnd s ASP 130 Cb -0.23 -2.18 -0.18 0.00 -1.46 0.00 0.00 42.92 38.86 2gnd s ASP 130 CO -0.04 -0.20 0.67 0.35 0.52 0.00 0.00 175.17 176.47 2gnd n THR 131 N 5.14 0.00 -4.23 1.71 -2.24 -1.15 -1.48 114.28 112.02 2gnd n THR 131 Ca -0.10 -0.13 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 2gnd n THR 131 Cb 0.51 0.94 -0.15 0.00 -2.10 0.00 0.00 70.33 69.53 2gnd n THR 131 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2gnd s PHE 132 N -2.58 2.83 -0.06 4.78 5.36 -1.25 -4.72 117.98 122.34 2gnd s PHE 132 Ca 0.05 -1.20 0.12 0.00 -0.96 0.00 0.00 56.93 54.95 2gnd s PHE 132 Cb 0.12 -1.96 0.23 0.00 -0.34 0.00 0.00 43.02 41.08 2gnd s PHE 132 CO 0.67 -0.60 1.11 2.48 -1.46 0.00 0.00 175.22 177.42 2gnd n TYR 133 N 4.43 0.00 -1.60 10.12 4.11 -1.26 -4.95 117.16 128.01 2gnd n TYR 133 Ca -0.19 -0.54 -0.59 0.00 -0.00 0.00 0.00 57.90 56.57 2gnd n TYR 133 Cb 0.51 -0.13 -0.09 0.00 -0.00 0.00 0.00 39.34 39.64 2gnd n TYR 133 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2gnd n ALA 134 N -0.30 -0.15 0.06 -3.48 0.00 -1.26 -4.75 120.51 110.63 2gnd n ALA 134 Ca 0.07 0.30 0.01 0.00 0.00 0.00 0.00 53.44 53.83 2gnd n ALA 134 Cb 0.81 -2.19 0.05 0.00 0.00 0.00 0.00 19.45 18.12 2gnd n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2gnd n GLN 135 N 5.94 0.01 0.04 0.00 1.13 -1.26 -0.55 117.38 122.69 2gnd n GLN 135 Ca 0.35 0.48 0.05 0.00 -1.94 0.00 0.00 57.00 55.94 2gnd n GLN 135 Cb 0.08 -1.52 -0.08 0.00 0.11 0.00 0.00 30.24 28.83 2gnd n GLN 135 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2gnd n ASP 136 N -1.53 0.62 -0.06 1.08 5.75 -1.26 -4.16 116.55 116.99 2gnd n ASP 136 Ca 0.00 0.26 -0.12 0.00 -0.01 0.00 0.00 54.79 54.92 2gnd n ASP 136 Cb 0.02 0.67 -0.05 0.00 -1.03 0.00 0.00 41.12 40.74 2gnd n ASP 136 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2gnd n SER 137 N -2.69 1.34 -3.81 -1.12 3.41 -0.78 -4.72 113.62 105.25 2gnd n SER 137 Ca -0.08 0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.22 2gnd n SER 137 Cb 0.72 -0.33 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 2gnd n SER 137 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2gnd n ASN 138 N -3.40 6.87 0.07 4.04 5.03 0.29 -4.79 115.26 123.37 2gnd n ASN 138 Ca -0.24 -3.52 0.18 0.00 0.87 0.00 0.00 54.58 51.88 2gnd n ASN 138 Cb 0.68 -1.24 0.70 0.00 -1.02 0.00 0.00 39.78 38.91 2gnd n ASN 138 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 2gnd h THR 139 N 2.86 0.72 0.00 3.41 1.35 -1.74 -1.78 112.91 117.74 2gnd h THR 139 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.24 2gnd h THR 139 Cb 0.47 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 2gnd h THR 139 CO 1.29 0.00 0.00 4.11 -0.25 0.00 0.00 175.52 180.67 2gnd h TRP 140 N 0.00 0.00 -3.42 4.73 0.09 -1.92 -3.46 115.95 111.97 2gnd h TRP 140 Ca 0.19 0.00 -0.50 0.00 0.09 0.00 0.00 58.89 58.66 2gnd h TRP 140 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.02 2gnd h TRP 140 CO 0.00 0.00 -0.01 -0.51 0.09 0.00 0.00 178.44 178.01 2gnd s ASP 141 N -4.67 6.44 0.80 0.11 1.01 -0.67 -4.76 116.67 114.94 2gnd s ASP 141 Ca 0.05 0.89 -0.11 0.00 0.71 0.00 0.00 52.55 54.09 2gnd s ASP 141 Cb 0.10 -2.22 0.07 0.00 1.01 0.00 0.00 42.92 41.88 2gnd s ASP 141 CO 0.48 -0.33 1.09 -2.16 0.21 0.00 0.00 175.17 174.46 2gnd s PRO 142 N -3.86 2.04 -1.44 8.23 0.04 -1.26 -4.91 135.00 133.85 2gnd s PRO 142 Ca 0.47 0.81 -0.10 0.00 0.04 0.00 0.00 61.00 62.23 2gnd s PRO 142 Cb -0.10 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.59 2gnd s PRO 142 CO 0.33 -1.69 2.42 -1.71 0.04 0.00 0.00 177.00 176.38 2gnd n ASN 143 N -3.51 6.71 0.00 6.66 5.15 -1.26 -4.84 115.26 124.17 2gnd n ASN 143 Ca 0.07 -2.90 0.00 0.00 -0.60 0.00 0.00 54.58 51.16 2gnd n ASN 143 Cb 0.55 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.29 2gnd n ASN 143 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2gnd n TYR 144 N 3.70 0.00 -1.79 1.20 0.18 -1.26 -5.11 117.16 114.09 2gnd n TYR 144 Ca 0.60 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.98 2gnd n TYR 144 Cb 0.30 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.27 2gnd n TYR 144 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 2gnd s PRO 145 N -2.00 3.74 0.27 -3.48 0.04 -1.26 -4.87 135.00 127.45 2gnd s PRO 145 Ca 0.00 2.46 -0.18 0.00 0.04 0.00 0.00 61.00 63.32 2gnd s PRO 145 Cb 0.00 -2.70 0.01 0.00 0.04 0.00 0.00 34.50 31.85 2gnd s PRO 145 CO 0.00 -0.79 0.63 -3.38 0.04 0.00 0.00 177.00 173.51 2gnd s HIS 146 N -1.19 0.03 -0.12 0.56 -3.43 -0.55 -1.52 115.29 109.07 2gnd s HIS 146 Ca 0.60 -0.46 -0.02 0.00 -0.80 0.00 0.00 55.06 54.38 2gnd s HIS 146 Cb -0.44 0.52 -0.03 0.00 -1.43 0.00 0.00 32.58 31.19 2gnd s HIS 146 CO 0.58 -1.16 -0.04 0.42 -2.00 0.00 0.00 174.74 172.55 2gnd s ILE 147 N -3.91 3.94 0.04 -5.38 1.01 -0.67 -1.02 121.20 115.21 2gnd s ILE 147 Ca 0.15 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.46 2gnd s ILE 147 Cb -0.04 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 2gnd s ILE 147 CO 0.08 0.54 -0.06 -0.83 0.00 0.00 0.00 174.94 174.66 2gnd s GLY 148 N -0.11 0.47 -0.25 6.18 0.00 -0.01 -1.77 107.32 111.83 2gnd s GLY 148 Ca 0.02 -0.80 -0.08 0.00 0.00 0.00 0.00 44.72 43.87 2gnd s GLY 148 CO 0.02 -0.86 0.08 -0.42 0.00 0.00 0.00 173.10 171.92 2gnd s ILE 149 N -1.71 4.36 -0.18 0.90 1.01 -0.70 -0.31 121.20 124.57 2gnd s ILE 149 Ca -0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 2gnd s ILE 149 Cb -0.08 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 2gnd s ILE 149 CO -0.01 0.32 -0.02 -1.81 0.00 0.00 0.00 174.94 173.42 2gnd s ASP 150 N 1.62 4.81 -0.40 3.58 -0.00 0.14 -1.09 116.67 125.34 2gnd s ASP 150 Ca 0.06 -0.17 0.02 0.00 -0.00 0.00 0.00 52.55 52.46 2gnd s ASP 150 Cb -0.15 -1.81 0.12 0.00 -0.00 0.00 0.00 42.92 41.08 2gnd s ASP 150 CO 0.04 0.11 0.17 -0.69 -0.00 0.00 0.00 175.17 174.80 2gnd s VAL 151 N 0.71 1.54 -1.31 -1.27 1.01 -1.26 -0.90 120.40 118.93 2gnd s VAL 151 Ca -0.01 -2.29 0.00 0.00 0.00 0.00 0.00 61.98 59.68 2gnd s VAL 151 Cb -0.14 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.13 2gnd s VAL 151 CO 0.02 -0.77 0.00 0.59 0.00 0.00 0.00 175.10 174.94 2gnd n ASN 152 N 3.97 -4.96 -3.58 3.32 3.02 -0.27 -4.92 115.26 111.84 2gnd n ASN 152 Ca 0.04 0.30 -0.16 0.00 -0.03 0.00 0.00 54.58 54.74 2gnd n ASN 152 Cb 0.37 -3.54 -0.07 0.00 -0.61 0.00 0.00 39.78 35.93 2gnd n ASN 152 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2gnd s SER 153 N -2.66 -0.69 0.22 6.41 0.15 -1.26 -3.47 113.70 112.40 2gnd s SER 153 Ca 0.00 1.06 0.24 0.00 0.70 0.00 0.00 55.95 57.95 2gnd s SER 153 Cb 0.00 0.99 0.92 0.00 -1.71 0.00 0.00 66.02 66.22 2gnd s SER 153 CO 0.00 -0.42 1.72 0.00 1.20 0.00 0.00 173.24 175.74 2gnd n ILE 154 N 1.82 0.74 -2.90 6.45 0.13 -0.13 -4.32 119.36 121.14 2gnd n ILE 154 Ca -0.17 0.08 -0.43 0.00 -1.10 0.00 0.00 62.75 61.13 2gnd n ILE 154 Cb 0.56 -0.96 -0.04 0.00 -0.84 0.00 0.00 39.64 38.35 2gnd n ILE 154 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 2gnd s ARG 155 N -3.23 3.17 0.31 9.51 3.52 -1.26 -4.93 118.95 126.05 2gnd s ARG 155 Ca 0.07 -0.70 -0.28 0.00 -0.13 0.00 0.00 55.73 54.69 2gnd s ARG 155 Cb 0.10 -4.16 -0.13 0.00 -1.56 0.00 0.00 34.95 29.20 2gnd s ARG 155 CO 0.45 -1.63 1.07 0.43 -0.81 0.00 0.00 175.30 174.81 2gnd n SER 156 N 7.38 1.64 0.11 -2.12 7.64 -1.26 -4.81 113.62 122.20 2gnd n SER 156 Ca -0.03 1.18 0.13 0.00 1.01 0.00 0.00 58.87 61.15 2gnd n SER 156 Cb 0.46 -1.34 0.44 0.00 -1.01 0.00 0.00 64.21 62.76 2gnd n SER 156 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2gnd n VAL 157 N 0.20 0.65 -3.60 0.44 0.24 -0.25 -4.79 118.33 111.22 2gnd n VAL 157 Ca 0.08 -0.08 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 2gnd n VAL 157 Cb 0.33 -0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 31.85 2gnd n VAL 157 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2gnd s LYS 158 N -3.17 0.70 0.04 7.34 2.20 -1.24 -5.02 119.74 120.59 2gnd s LYS 158 Ca 0.09 0.50 -0.06 0.00 -0.36 0.00 0.00 55.97 56.14 2gnd s LYS 158 Cb 0.12 0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 36.76 2gnd s LYS 158 CO 0.51 -0.15 0.10 0.95 -0.36 0.00 0.00 175.35 176.40 2gnd s THR 159 N -0.34 0.13 0.02 3.43 -4.23 -1.26 -1.71 115.64 111.68 2gnd s THR 159 Ca -0.01 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 2gnd s THR 159 Cb -0.03 -0.93 -0.01 0.00 1.34 0.00 0.00 72.50 72.86 2gnd s THR 159 CO 0.00 -0.61 -0.05 0.68 -0.54 0.00 0.00 174.62 174.10 2gnd s VAL 160 N -2.70 0.38 0.30 2.29 -7.23 -0.73 -4.99 120.40 107.73 2gnd s VAL 160 Ca -0.04 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 59.16 2gnd s VAL 160 Cb -0.01 -0.41 -0.11 0.00 0.56 0.00 0.00 36.38 36.41 2gnd s VAL 160 CO -0.05 -0.21 1.53 -0.75 -0.31 0.00 0.00 175.10 175.31 2gnd s LYS 161 N -0.95 4.16 0.05 4.82 2.47 -1.26 -1.68 119.74 127.36 2gnd s LYS 161 Ca -0.06 2.50 0.04 0.00 -1.56 0.00 0.00 55.97 56.89 2gnd s LYS 161 Cb -0.06 -3.03 -0.03 0.00 -1.46 0.00 0.00 37.83 33.25 2gnd s LYS 161 CO -0.00 -0.55 -0.11 -0.46 0.16 0.00 0.00 175.35 174.39 2gnd s TRP 162 N -0.27 0.98 -0.20 4.03 -0.00 -0.58 -4.78 118.94 118.13 2gnd s TRP 162 Ca 0.60 -0.45 -0.05 0.00 -0.00 0.00 0.00 56.10 56.20 2gnd s TRP 162 Cb -0.46 -0.57 -0.02 0.00 -0.00 0.00 0.00 33.47 32.42 2gnd s TRP 162 CO 0.50 -0.00 -0.00 0.34 -0.00 0.00 0.00 176.95 177.79 2gnd s ASP 163 N -1.55 4.82 -0.09 5.86 2.15 -1.26 -4.32 116.67 122.28 2gnd s ASP 163 Ca -0.05 -0.20 -0.26 0.00 0.43 0.00 0.00 52.55 52.48 2gnd s ASP 163 Cb -0.09 -1.82 -0.03 0.00 -0.30 0.00 0.00 42.92 40.68 2gnd s ASP 163 CO 0.01 0.07 0.81 -0.60 -0.17 0.00 0.00 175.17 175.29 2gnd s ARG 164 N 0.99 4.42 -0.27 4.34 3.52 -1.26 -5.04 118.95 125.64 2gnd s ARG 164 Ca 0.02 1.06 0.02 0.00 -0.13 0.00 0.00 55.73 56.69 2gnd s ARG 164 Cb -0.14 -3.49 0.07 0.00 -1.56 0.00 0.00 34.95 29.83 2gnd s ARG 164 CO 0.02 -0.10 -0.03 1.03 -0.81 0.00 0.00 175.30 175.41 2gnd s ARG 165 N 1.31 1.64 0.16 5.12 0.52 -1.26 -5.09 118.95 121.34 2gnd s ARG 165 Ca 0.41 -1.29 -0.34 0.00 -0.52 0.00 0.00 55.73 53.99 2gnd s ARG 165 Cb -0.18 -2.74 -0.15 0.00 0.52 0.00 0.00 34.95 32.40 2gnd s ARG 165 CO 0.19 -0.71 1.44 -3.47 0.02 0.00 0.00 175.30 172.76 2gnd n ASP 166 N 4.53 2.50 -0.47 0.23 2.03 -1.26 -1.99 116.55 122.13 2gnd n ASP 166 Ca -0.08 1.11 -0.06 0.00 0.52 0.00 0.00 54.79 56.28 2gnd n ASP 166 Cb 0.43 -1.35 -0.03 0.00 -0.72 0.00 0.00 41.12 39.45 2gnd n ASP 166 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gnd n GLY 167 N 2.77 0.66 3.47 0.27 0.00 0.18 -4.98 105.19 107.56 2gnd n GLY 167 Ca 0.16 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2gnd n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gnd s GLN 168 N -2.29 3.23 0.18 1.61 -0.21 -0.84 -4.93 119.66 116.41 2gnd s GLN 168 Ca 0.00 -0.60 -0.30 0.00 0.02 0.00 0.00 55.36 54.48 2gnd s GLN 168 Cb 0.00 -2.68 -0.08 0.00 1.00 0.00 0.00 33.01 31.25 2gnd s GLN 168 CO 0.00 0.37 1.20 -1.12 -2.12 0.00 0.00 175.29 173.62 2gnd s SER 169 N -0.04 7.08 -0.17 5.90 0.01 -1.26 -4.48 113.70 120.75 2gnd s SER 169 Ca -0.01 2.24 -0.03 0.00 1.31 0.00 0.00 55.95 59.45 2gnd s SER 169 Cb -0.14 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 2gnd s SER 169 CO 0.03 -0.37 -0.05 -0.22 0.41 0.00 0.00 173.24 173.04 2gnd s LEU 170 N -0.24 3.11 -0.21 2.44 2.96 0.04 -4.29 118.68 122.50 2gnd s LEU 170 Ca 0.53 -0.21 -0.12 0.00 -0.22 0.00 0.00 54.13 54.11 2gnd s LEU 170 Cb -0.33 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 2gnd s LEU 170 CO 0.37 0.13 0.22 0.20 -1.32 0.00 0.00 176.35 175.94 2gnd s ASN 171 N 0.62 6.26 -0.03 3.68 0.01 0.06 -2.39 114.94 123.15 2gnd s ASN 171 Ca -0.03 0.29 0.06 0.00 -0.71 0.00 0.00 52.86 52.47 2gnd s ASN 171 Cb -0.15 -2.14 -0.01 0.00 0.41 0.00 0.00 41.25 39.37 2gnd s ASN 171 CO 0.03 0.08 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.80 2gnd s VAL 172 N 0.78 1.66 -0.17 1.60 1.01 0.14 -0.66 120.40 124.76 2gnd s VAL 172 Ca 0.11 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2gnd s VAL 172 Cb -0.13 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 34.89 2gnd s VAL 172 CO 0.03 0.47 -0.13 -0.22 0.00 0.00 0.00 175.10 175.26 2gnd s LEU 173 N -0.34 1.90 -0.19 3.92 2.96 0.39 -0.76 118.68 126.56 2gnd s LEU 173 Ca 0.04 -0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 2gnd s LEU 173 Cb -0.10 -1.19 0.00 0.00 0.50 0.00 0.00 46.19 45.41 2gnd s LEU 173 CO 0.00 -0.09 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.13 2gnd s VAL 174 N 1.46 2.72 0.07 1.68 1.01 0.07 -1.38 120.40 126.04 2gnd s VAL 174 Ca 0.03 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.33 2gnd s VAL 174 Cb -0.14 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2gnd s VAL 174 CO -0.10 0.49 -0.14 0.42 0.00 0.00 0.00 175.10 175.77 2gnd s THR 175 N 1.24 1.08 -0.10 3.92 -4.23 -0.63 -0.18 115.64 116.73 2gnd s THR 175 Ca 0.03 -1.29 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 2gnd s THR 175 Cb -0.14 -1.04 0.02 0.00 1.34 0.00 0.00 72.50 72.68 2gnd s THR 175 CO -0.06 -0.23 -0.10 0.12 -0.54 0.00 0.00 174.62 173.81 2gnd s PHE 176 N -1.28 1.53 -0.32 3.99 5.36 -0.48 -0.77 117.98 126.01 2gnd s PHE 176 Ca -0.02 -0.71 -0.08 0.00 -0.96 0.00 0.00 56.93 55.16 2gnd s PHE 176 Cb -0.10 -1.20 0.02 0.00 -0.34 0.00 0.00 43.02 41.40 2gnd s PHE 176 CO 0.02 -0.44 0.12 1.21 -1.46 0.00 0.00 175.22 174.67 2gnd s ASN 177 N 1.30 5.33 0.55 6.13 3.84 -0.80 -2.96 114.94 128.32 2gnd s ASN 177 Ca -0.02 -0.89 0.28 0.00 0.21 0.00 0.00 52.86 52.44 2gnd s ASN 177 Cb -0.14 -1.91 1.58 0.00 -0.55 0.00 0.00 41.25 40.24 2gnd s ASN 177 CO -0.04 -0.27 2.14 1.55 -2.79 0.00 0.00 177.10 177.69 2gnd h PRO 178 N 8.27 0.00 -0.06 0.43 0.13 -1.89 0.34 132.00 139.23 2gnd h PRO 178 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 2gnd h PRO 178 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2gnd h PRO 178 CO 0.62 0.08 -0.02 0.77 -0.23 0.00 0.00 178.00 179.21 2gnd h SER 179 N 0.00 0.12 0.24 1.44 0.02 -1.94 -3.24 113.55 110.20 2gnd h SER 179 Ca -0.00 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2gnd h SER 179 Cb 0.22 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2gnd h SER 179 CO 0.01 0.49 -0.62 0.35 -1.14 0.00 0.00 176.83 175.92 2gnd n THR 180 N -4.81 0.00 -2.31 -2.27 -2.24 -1.17 -4.95 114.28 96.54 2gnd n THR 180 Ca -0.07 -0.05 -0.19 0.00 -2.27 0.00 0.00 64.05 61.47 2gnd n THR 180 Cb 0.24 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.08 2gnd n THR 180 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2gnd n ARG 181 N -1.21 -1.77 -3.41 -0.78 1.74 0.12 -4.86 116.66 106.49 2gnd n ARG 181 Ca 0.06 0.94 -0.37 0.00 -0.77 0.00 0.00 57.85 57.71 2gnd n ARG 181 Cb 0.35 -5.55 -0.07 0.00 -1.02 0.00 0.00 32.46 26.17 2gnd n ARG 181 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2gnd s ASN 182 N -2.11 6.52 -0.36 0.55 -0.87 -1.08 -0.58 114.94 117.00 2gnd s ASN 182 Ca 0.00 0.61 -0.11 0.00 -1.57 0.00 0.00 52.86 51.80 2gnd s ASN 182 Cb 0.00 -2.23 0.02 0.00 -0.02 0.00 0.00 41.25 39.02 2gnd s ASN 182 CO 0.00 0.00 0.19 -0.22 -2.57 0.00 0.00 177.10 174.51 2gnd s LEU 183 N 0.81 4.59 -0.06 0.60 2.96 0.18 -1.91 118.68 125.85 2gnd s LEU 183 Ca 0.20 -0.91 -0.02 0.00 -0.22 0.00 0.00 54.13 53.19 2gnd s LEU 183 Cb -0.14 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.50 2gnd s LEU 183 CO 0.07 -0.35 0.03 -1.81 -1.32 0.00 0.00 176.35 172.98 2gnd s ASP 184 N 1.56 5.43 -0.09 3.68 1.01 0.05 -1.45 116.67 126.87 2gnd s ASP 184 Ca 0.02 0.16 0.02 0.00 0.71 0.00 0.00 52.55 53.46 2gnd s ASP 184 Cb -0.19 -1.55 0.02 0.00 1.01 0.00 0.00 42.92 42.21 2gnd s ASP 184 CO 0.06 0.35 -0.13 -0.69 0.21 0.00 0.00 175.17 174.97 2gnd s VAL 185 N -0.99 1.30 -0.09 -1.27 1.01 -0.04 -1.61 120.40 118.71 2gnd s VAL 185 Ca 0.16 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2gnd s VAL 185 Cb -0.12 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.08 2gnd s VAL 185 CO 0.06 0.40 -0.08 -0.69 0.00 0.00 0.00 175.10 174.79 2gnd s VAL 186 N 0.97 0.97 0.00 2.92 1.01 -0.48 -2.12 120.40 123.67 2gnd s VAL 186 Ca -0.08 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.63 2gnd s VAL 186 Cb -0.15 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 2gnd s VAL 186 CO -0.01 0.34 -0.12 0.00 0.00 0.00 0.00 175.10 175.31 2gnd s ALA 187 N 1.29 1.02 0.01 5.51 0.00 -0.28 -0.46 121.76 128.85 2gnd s ALA 187 Ca -0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 2gnd s ALA 187 Cb -0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 2gnd s ALA 187 CO -0.03 0.23 0.06 0.95 0.00 0.00 0.00 175.76 176.97 2gnd s THR 188 N -0.40 0.10 0.26 0.00 -4.23 0.16 -0.79 115.64 110.75 2gnd s THR 188 Ca 0.04 -0.80 0.05 0.00 -1.18 0.00 0.00 61.69 59.80 2gnd s THR 188 Cb -0.05 -0.35 -0.03 0.00 1.34 0.00 0.00 72.50 73.41 2gnd s THR 188 CO -0.00 -0.44 0.39 -0.31 -0.54 0.00 0.00 174.62 173.72 2gnd s TYR 189 N -1.43 3.40 -0.16 3.99 1.51 -0.84 -0.76 117.35 123.06 2gnd s TYR 189 Ca -0.15 -0.03 0.19 0.00 -1.01 0.00 0.00 57.07 56.06 2gnd s TYR 189 Cb -0.09 -1.65 1.03 0.00 -0.11 0.00 0.00 41.96 41.14 2gnd s TYR 189 CO 0.00 0.35 1.55 -1.13 -1.11 0.00 0.00 175.55 175.22 2gnd n SER 190 N -1.47 0.49 -0.67 2.29 3.41 -1.26 -1.44 113.62 114.98 2gnd n SER 190 Ca -0.07 0.70 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 2gnd n SER 190 Cb 0.57 -0.74 0.36 0.00 -0.26 0.00 0.00 64.21 64.14 2gnd n SER 190 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2gnd n ASP 191 N -2.19 2.03 0.00 4.04 5.75 -1.26 -4.93 116.55 120.00 2gnd n ASP 191 Ca -0.01 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 2gnd n ASP 191 Cb 0.11 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 2gnd n ASP 191 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2gnd n GLY 192 N 1.22 1.80 3.67 6.12 0.00 -0.52 -5.04 105.19 112.44 2gnd n GLY 192 Ca 0.17 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.71 2gnd n GLY 192 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2gnd n THR 193 N -2.00 0.23 -4.88 2.61 -1.04 -1.26 -4.79 114.28 103.16 2gnd n THR 193 Ca 0.00 -0.04 -0.28 0.00 -2.04 0.00 0.00 64.05 61.69 2gnd n THR 193 Cb 0.00 -1.59 -0.15 0.00 -1.82 0.00 0.00 70.33 66.77 2gnd n THR 193 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2gnd s ARG 194 N 2.17 1.64 -0.02 -2.82 3.52 -1.26 -1.98 118.95 120.20 2gnd s ARG 194 Ca 0.85 -0.93 0.04 0.00 -0.13 0.00 0.00 55.73 55.56 2gnd s ARG 194 Cb -0.72 -1.71 -0.01 0.00 -1.56 0.00 0.00 34.95 30.95 2gnd s ARG 194 CO 0.45 0.45 -0.14 0.71 -0.81 0.00 0.00 175.30 175.96 2gnd s TYR 195 N -0.70 1.35 0.02 5.12 1.51 0.03 -5.00 117.35 119.68 2gnd s TYR 195 Ca 0.09 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 2gnd s TYR 195 Cb -0.09 -0.90 -0.01 0.00 -0.11 0.00 0.00 41.96 40.85 2gnd s TYR 195 CO 0.01 -0.09 -0.04 -1.21 -1.11 0.00 0.00 175.55 173.11 2gnd s GLU 196 N -0.09 0.33 -0.25 -0.62 2.02 -1.26 -1.12 118.70 117.71 2gnd s GLU 196 Ca 0.00 -0.41 -0.20 0.00 0.02 0.00 0.00 54.97 54.39 2gnd s GLU 196 Cb -0.08 -0.16 0.07 0.00 0.10 0.00 0.00 34.13 34.05 2gnd s GLU 196 CO 0.01 0.03 0.64 0.54 0.02 0.00 0.00 175.26 176.50 2gnd s VAL 197 N -0.77 -0.00 0.07 2.63 0.11 -0.90 -4.96 120.40 116.58 2gnd s VAL 197 Ca -0.06 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.03 2gnd s VAL 197 Cb -0.06 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2gnd s VAL 197 CO -0.00 0.00 -0.10 -0.55 -3.33 0.00 0.00 175.10 171.12 2gnd s SER 198 N 0.80 1.29 -0.19 3.54 0.15 -1.26 -0.87 113.70 117.16 2gnd s SER 198 Ca -0.04 -0.69 -0.16 0.00 0.70 0.00 0.00 55.95 55.77 2gnd s SER 198 Cb -0.05 0.01 0.05 0.00 -1.71 0.00 0.00 66.02 64.32 2gnd s SER 198 CO -0.06 -0.21 0.50 -0.47 1.20 0.00 0.00 173.24 174.20 2gnd s TYR 199 N -1.86 -0.61 -0.25 3.44 6.14 -0.53 -4.98 117.35 118.70 2gnd s TYR 199 Ca -0.01 1.41 -0.20 0.00 0.64 0.00 0.00 57.07 58.91 2gnd s TYR 199 Cb -0.07 0.24 -0.02 0.00 0.42 0.00 0.00 41.96 42.54 2gnd s TYR 199 CO 0.00 -0.31 0.62 -2.00 0.64 0.00 0.00 175.55 174.51 2gnd s GLU 200 N 0.61 4.12 -0.11 4.97 2.12 -1.26 -0.64 118.70 128.51 2gnd s GLU 200 Ca -0.03 0.54 -0.10 0.00 0.36 0.00 0.00 54.97 55.75 2gnd s GLU 200 Cb -0.05 -3.64 0.03 0.00 0.26 0.00 0.00 34.13 30.73 2gnd s GLU 200 CO -0.04 -0.40 0.29 0.54 -0.54 0.00 0.00 175.26 175.12 2gnd s VAL 201 N 2.45 -0.00 -0.47 3.70 0.11 0.26 -5.00 120.40 121.44 2gnd s VAL 201 Ca 0.26 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 59.14 2gnd s VAL 201 Cb -0.16 -0.42 0.05 0.00 -1.53 0.00 0.00 36.38 34.32 2gnd s VAL 201 CO 0.09 0.00 0.55 -0.62 -3.33 0.00 0.00 175.10 171.79 2gnd s ASP 202 N 0.23 6.22 0.56 3.54 -1.08 -1.26 -4.68 116.67 120.21 2gnd s ASP 202 Ca -0.01 -0.82 0.29 0.00 -0.52 0.00 0.00 52.55 51.50 2gnd s ASP 202 Cb -0.03 -2.26 1.68 0.00 -1.46 0.00 0.00 42.92 40.85 2gnd s ASP 202 CO -0.00 -0.77 2.18 -0.37 0.52 0.00 0.00 175.17 176.73 2gnd h VAL 203 N 5.82 0.53 0.00 1.11 -1.51 -1.97 -2.64 116.25 117.59 2gnd h VAL 203 Ca -0.27 -0.23 -0.02 0.00 -1.23 0.00 0.00 66.70 64.94 2gnd h VAL 203 Cb 1.10 1.15 -0.00 0.00 -2.13 0.00 0.00 31.29 31.41 2gnd h VAL 203 CO 0.90 0.05 -0.11 0.03 -1.23 0.00 0.00 177.57 177.21 2gnd h ARG 204 N 0.00 0.00 -0.03 5.19 3.08 -1.92 0.34 114.38 121.04 2gnd h ARG 204 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2gnd h ARG 204 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2gnd h ARG 204 CO 0.01 0.11 0.00 -1.13 -1.07 0.00 0.00 179.97 177.89 2gnd n SER 205 N -4.29 1.46 -0.01 7.04 3.41 -0.99 -4.34 113.62 115.90 2gnd n SER 205 Ca -0.03 -1.50 -0.01 0.00 -0.26 0.00 0.00 58.87 57.07 2gnd n SER 205 Cb 0.19 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.12 2gnd n SER 205 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2gnd n VAL 206 N 0.15 0.11 -4.42 -3.33 0.31 -0.65 -5.09 118.33 105.40 2gnd n VAL 206 Ca 0.19 -0.04 -0.27 0.00 -0.01 0.00 0.00 64.34 64.21 2gnd n VAL 206 Cb 0.34 -0.60 -0.12 0.00 -0.91 0.00 0.00 33.84 32.56 2gnd n VAL 206 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2gnd s LEU 207 N -5.15 2.44 1.03 7.52 1.43 0.02 -4.59 118.68 121.38 2gnd s LEU 207 Ca -0.02 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.08 2gnd s LEU 207 Cb 0.01 -1.16 0.21 0.00 0.03 0.00 0.00 46.19 45.27 2gnd s LEU 207 CO 0.04 0.12 1.08 -2.16 0.23 0.00 0.00 176.35 175.66 2gnd s PRO 208 N -2.70 0.16 0.32 1.29 0.04 -1.26 -4.63 135.00 128.22 2gnd s PRO 208 Ca 0.21 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.81 2gnd s PRO 208 Cb -0.08 -1.70 0.53 0.00 0.04 0.00 0.00 34.50 33.29 2gnd s PRO 208 CO 0.10 -2.93 1.97 0.93 0.04 0.00 0.00 177.00 177.11 2gnd h GLU 209 N -2.04 0.99 -5.81 4.56 5.08 -1.95 -3.41 114.58 111.99 2gnd h GLU 209 Ca -0.56 -0.06 -0.67 0.00 -1.00 0.00 0.00 59.36 57.07 2gnd h GLU 209 Cb 1.33 -0.22 -0.24 0.00 0.50 0.00 0.00 28.75 30.12 2gnd h GLU 209 CO 0.56 0.65 -0.75 -1.58 -1.00 0.00 0.00 179.01 176.90 2gnd s TRP 210 N -5.86 2.81 0.25 4.33 0.52 -1.26 -0.29 118.94 119.43 2gnd s TRP 210 Ca -0.11 -0.33 -0.02 0.00 0.02 0.00 0.00 56.10 55.66 2gnd s TRP 210 Cb 0.18 -1.76 -0.03 0.00 -1.15 0.00 0.00 33.47 30.72 2gnd s TRP 210 CO 0.78 0.03 0.25 0.14 0.02 0.00 0.00 176.95 178.18 2gnd s VAL 211 N -0.22 0.00 0.13 4.03 -7.23 -0.18 -4.26 120.40 112.66 2gnd s VAL 211 Ca 0.01 -1.85 0.10 0.00 -1.81 0.00 0.00 61.98 58.44 2gnd s VAL 211 Cb -0.13 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2gnd s VAL 211 CO 0.03 0.00 -0.26 -0.13 -0.31 0.00 0.00 175.10 174.43 2gnd s ARG 212 N -3.89 1.35 0.15 4.82 0.52 -0.43 0.44 118.95 121.90 2gnd s ARG 212 Ca 0.35 -1.32 0.11 0.00 -0.52 0.00 0.00 55.73 54.36 2gnd s ARG 212 Cb 0.04 -1.79 -0.04 0.00 0.52 0.00 0.00 34.95 33.68 2gnd s ARG 212 CO 0.15 0.42 -0.24 0.14 0.02 0.00 0.00 175.30 175.79 2gnd s VAL 213 N -1.10 2.40 0.00 3.52 -7.23 -1.26 -2.18 120.40 114.54 2gnd s VAL 213 Ca 0.13 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 2gnd s VAL 213 Cb -0.10 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.74 2gnd s VAL 213 CO 0.06 0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 2gnd n GLY 214 N 0.65 0.62 3.22 2.32 0.00 -0.87 -1.79 105.19 109.35 2gnd n GLY 214 Ca -0.16 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 2gnd n GLY 214 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gnd s PHE 215 N -2.03 1.36 0.02 1.61 0.40 -0.61 -0.89 117.98 117.84 2gnd s PHE 215 Ca 0.00 -0.52 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 2gnd s PHE 215 Cb 0.00 -0.73 -0.02 0.00 0.51 0.00 0.00 43.02 42.78 2gnd s PHE 215 CO 0.00 0.12 -0.04 0.45 0.70 0.00 0.00 175.22 176.44 2gnd s SER 216 N -2.18 0.45 0.06 1.36 0.15 0.21 -1.71 113.70 112.04 2gnd s SER 216 Ca 0.05 -0.41 -0.20 0.00 0.70 0.00 0.00 55.95 56.10 2gnd s SER 216 Cb -0.07 0.05 0.04 0.00 -1.71 0.00 0.00 66.02 64.33 2gnd s SER 216 CO 0.03 -0.19 0.46 0.00 1.20 0.00 0.00 173.24 174.74 2gnd s ALA 217 N -1.10 -1.15 0.15 5.45 0.00 -0.68 -0.00 121.76 124.42 2gnd s ALA 217 Ca -0.10 0.40 -0.20 0.00 0.00 0.00 0.00 51.96 52.06 2gnd s ALA 217 Cb -0.08 0.41 0.06 0.00 0.00 0.00 0.00 23.12 23.51 2gnd s ALA 217 CO -0.00 -0.51 0.52 0.00 0.00 0.00 0.00 175.76 175.77 2gnd s ALA 218 N -2.64 -1.33 -0.03 0.00 0.00 -1.19 -1.85 121.76 114.72 2gnd s ALA 218 Ca -0.04 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.17 2gnd s ALA 218 Cb -0.00 0.81 0.03 0.00 0.00 0.00 0.00 23.12 23.96 2gnd s ALA 218 CO -0.03 -0.72 0.06 -1.12 0.00 0.00 0.00 175.76 173.95 2gnd s SER 219 N -2.77 0.18 0.00 0.00 0.01 -0.32 0.16 113.70 110.97 2gnd s SER 219 Ca 0.02 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.38 2gnd s SER 219 Cb 0.00 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.21 2gnd s SER 219 CO -0.12 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2gnd n GLY 220 N 4.36 0.53 0.13 3.44 0.00 -1.26 -1.82 105.19 110.56 2gnd n GLY 220 Ca -0.24 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 2gnd n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gnd h GLU 221 N 0.00 0.11 -6.06 1.61 5.08 -1.97 -1.08 114.58 112.28 2gnd h GLU 221 Ca 0.00 -0.11 -0.60 0.00 -1.00 0.00 0.00 59.36 57.66 2gnd h GLU 221 Cb 0.00 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 2gnd h GLU 221 CO 0.00 0.82 -0.37 -0.65 -1.00 0.00 0.00 179.01 177.81 2gnd s GLN 222 N -3.36 3.58 0.20 2.33 1.11 -1.26 -4.84 119.66 117.41 2gnd s GLN 222 Ca -0.02 -0.16 -0.02 0.00 0.01 0.00 0.00 55.36 55.17 2gnd s GLN 222 Cb 0.11 -2.94 -0.04 0.00 -1.01 0.00 0.00 33.01 29.13 2gnd s GLN 222 CO 0.80 0.54 0.15 1.52 0.01 0.00 0.00 175.29 178.31 2gnd s TYR 223 N -1.55 1.06 -0.23 0.91 1.13 -1.25 -4.16 117.35 113.26 2gnd s TYR 223 Ca 0.37 -1.31 -0.35 0.00 -1.41 0.00 0.00 57.07 54.37 2gnd s TYR 223 Cb -0.13 -0.49 0.15 0.00 -1.10 0.00 0.00 41.96 40.40 2gnd s TYR 223 CO 0.24 -0.66 1.27 1.14 -2.51 0.00 0.00 175.55 175.03 2gnd s GLN 224 N -4.14 0.21 0.36 -3.49 -2.07 -1.15 -3.64 119.66 105.75 2gnd s GLN 224 Ca 0.36 -0.06 -0.21 0.00 -1.82 0.00 0.00 55.36 53.63 2gnd s GLN 224 Cb 0.06 0.10 -0.10 0.00 -1.09 0.00 0.00 33.01 31.98 2gnd s GLN 224 CO 0.11 -0.09 0.88 0.95 -1.32 0.00 0.00 175.29 175.82 2gnd s THR 225 N -2.09 4.43 -0.42 3.63 -4.23 -0.29 -4.86 115.64 111.80 2gnd s THR 225 Ca 0.10 1.43 0.02 0.00 -1.18 0.00 0.00 61.69 62.06 2gnd s THR 225 Cb -0.01 -3.72 0.12 0.00 1.34 0.00 0.00 72.50 70.23 2gnd s THR 225 CO -0.04 -0.14 0.19 -1.00 -0.54 0.00 0.00 174.62 173.09 2gnd s HIS 226 N -1.95 2.52 -0.36 3.99 0.09 -1.26 -3.30 115.29 115.01 2gnd s HIS 226 Ca 0.56 -2.59 -0.13 0.00 -0.00 0.00 0.00 55.06 52.90 2gnd s HIS 226 Cb -0.12 -2.26 0.00 0.00 -0.00 0.00 0.00 32.58 30.20 2gnd s HIS 226 CO 0.17 -0.82 0.24 0.99 -0.00 0.00 0.00 174.74 175.33 2gnd s THR 227 N 0.50 5.08 -0.30 1.30 2.01 -0.64 -1.94 115.64 121.65 2gnd s THR 227 Ca 0.15 -0.49 -0.25 0.00 0.31 0.00 0.00 61.69 61.41 2gnd s THR 227 Cb -0.23 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2gnd s THR 227 CO -0.05 -0.13 0.88 -0.22 -0.69 0.00 0.00 174.62 174.40 2gnd s LEU 228 N 1.67 4.05 -0.14 4.42 2.96 -0.21 -1.56 118.68 129.87 2gnd s LEU 228 Ca 0.05 0.83 0.02 0.00 -0.22 0.00 0.00 54.13 54.81 2gnd s LEU 228 Cb -0.18 -3.23 -0.23 0.00 0.50 0.00 0.00 46.19 43.05 2gnd s LEU 228 CO 0.09 -0.68 0.28 -0.62 -1.32 0.00 0.00 176.35 174.11 2gnd n GLU 229 N 6.36 0.70 -3.64 1.98 1.02 0.62 -1.29 120.64 126.39 2gnd n GLU 229 Ca 0.06 0.22 -0.10 0.00 -0.02 0.00 0.00 57.16 57.32 2gnd n GLU 229 Cb 0.48 -1.67 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 2gnd n GLU 229 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2gnd s SER 230 N -6.56 -0.25 -0.29 1.62 1.04 -1.16 -4.34 113.70 103.76 2gnd s SER 230 Ca -0.20 -0.33 -0.16 0.00 0.48 0.00 0.00 55.95 55.74 2gnd s SER 230 Cb 0.07 0.50 0.11 0.00 0.10 0.00 0.00 66.02 66.80 2gnd s SER 230 CO 0.75 -0.89 0.82 0.86 0.98 0.00 0.00 173.24 175.77 2gnd s TRP 231 N -3.81 -0.85 -0.00 5.02 -0.00 -0.57 -2.50 118.94 116.22 2gnd s TRP 231 Ca 0.04 1.68 0.03 0.00 -0.00 0.00 0.00 56.10 57.85 2gnd s TRP 231 Cb 0.01 0.51 -0.01 0.00 -0.00 0.00 0.00 33.47 33.98 2gnd s TRP 231 CO -0.11 -0.42 -0.10 -1.54 -0.00 0.00 0.00 176.95 174.78 2gnd s SER 232 N 1.62 1.20 0.00 5.86 1.04 -0.40 0.12 113.70 123.14 2gnd s SER 232 Ca -0.09 -0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.11 2gnd s SER 232 Cb -0.05 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 2gnd s SER 232 CO -0.18 0.11 0.03 0.12 0.98 0.00 0.00 173.24 174.31 2gnd s PHE 233 N -0.30 0.09 -0.12 5.02 2.19 -0.00 -1.49 117.98 123.36 2gnd s PHE 233 Ca 0.03 -0.17 -0.17 0.00 0.33 0.00 0.00 56.93 56.96 2gnd s PHE 233 Cb -0.04 -0.07 0.04 0.00 -1.31 0.00 0.00 43.02 41.63 2gnd s PHE 233 CO -0.00 -0.13 0.43 -0.08 1.83 0.00 0.00 175.22 177.27 2gnd s THR 234 N -0.79 0.01 -0.11 0.12 -1.32 -0.77 -1.25 115.64 111.54 2gnd s THR 234 Ca -0.09 -0.10 -0.14 0.00 -1.21 0.00 0.00 61.69 60.15 2gnd s THR 234 Cb -0.05 -0.65 0.03 0.00 -1.51 0.00 0.00 72.50 70.32 2gnd s THR 234 CO -0.00 -0.06 0.38 -0.94 -2.21 0.00 0.00 174.62 171.79 2gnd s SER 235 N -0.22 -0.35 -0.05 8.08 1.04 -0.40 -0.72 113.70 121.08 2gnd s SER 235 Ca -0.04 0.59 -0.02 0.00 0.48 0.00 0.00 55.95 56.96 2gnd s SER 235 Cb -0.03 0.65 0.03 0.00 0.10 0.00 0.00 66.02 66.76 2gnd s SER 235 CO 0.02 -0.24 0.10 -0.89 0.98 0.00 0.00 173.24 173.22 2gnd s THR 236 N -0.26 -0.03 0.09 2.02 2.01 -0.47 -1.34 115.64 117.66 2gnd s THR 236 Ca -0.04 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 2gnd s THR 236 Cb -0.03 -0.17 -0.06 0.00 0.01 0.00 0.00 72.50 72.24 2gnd s THR 236 CO 0.02 0.05 1.19 -0.76 -0.69 0.00 0.00 174.62 174.43 2gnd s LEU 237 N 0.77 4.39 0.17 4.42 1.43 -0.41 -0.40 118.68 129.06 2gnd s LEU 237 Ca -0.06 2.06 0.06 0.00 -1.03 0.00 0.00 54.13 55.16 2gnd s LEU 237 Cb -0.08 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 2gnd s LEU 237 CO -0.03 -0.43 -0.13 -0.76 0.23 0.00 0.00 176.35 175.23 2gnd s LEU 238 N 0.72 2.52 0.18 1.79 1.43 -0.55 -4.93 118.68 119.86 2gnd s LEU 238 Ca 0.57 -0.98 -0.28 0.00 -1.03 0.00 0.00 54.13 52.40 2gnd s LEU 238 Cb -0.30 -0.53 -0.08 0.00 0.03 0.00 0.00 46.19 45.31 2gnd s LEU 238 CO 0.31 -0.23 0.87 -0.31 0.23 0.00 0.00 176.35 177.22 2gnd s TYR 239 N -2.97 3.92 0.00 0.29 1.51 -1.26 -1.07 117.35 117.76 2gnd s TYR 239 Ca 0.18 1.77 0.00 0.00 -1.01 0.00 0.00 57.07 58.01 2gnd s TYR 239 Cb -0.00 -2.90 0.00 0.00 -0.11 0.00 0.00 41.96 38.95 2gnd s TYR 239 CO 0.04 0.44 0.00 2.41 -1.11 0.00 0.00 175.55 177.33