#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3x s ASP 4 N -1.89 1.13 -0.28 0.00 -0.00 -1.26 -3.03 116.67 111.33 2h3x s ASP 4 Ca 0.53 -0.58 -0.20 0.00 -0.00 0.00 0.00 52.55 52.31 2h3x s ASP 4 Cb 0.44 0.01 0.10 0.00 -0.00 0.00 0.00 42.92 43.47 2h3x s ASP 4 CO -0.27 -0.16 0.83 -0.69 -0.00 0.00 0.00 175.17 174.87 2h3x s VAL 5 N -1.36 0.00 -0.22 -1.27 1.01 -1.17 -5.02 120.40 112.36 2h3x s VAL 5 Ca -0.07 0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2h3x s VAL 5 Cb -0.10 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.33 2h3x s VAL 5 CO 0.01 0.00 -0.11 -0.44 0.00 0.00 0.00 175.10 174.56 2h3x s SER 6 N 0.95 3.81 -0.10 3.32 0.01 -1.26 0.01 113.70 120.44 2h3x s SER 6 Ca -0.04 -1.08 -0.02 0.00 1.31 0.00 0.00 55.95 56.11 2h3x s SER 6 Cb -0.05 -1.37 -0.03 0.00 0.21 0.00 0.00 66.02 64.79 2h3x s SER 6 CO -0.11 -0.16 -0.02 -0.51 0.41 0.00 0.00 173.24 172.86 2h3x s ILE 7 N 1.28 4.10 0.22 1.44 2.07 0.12 -4.99 121.20 125.44 2h3x s ILE 7 Ca -0.04 -0.32 0.05 0.00 -1.41 0.00 0.00 60.65 58.94 2h3x s ILE 7 Cb -0.18 -2.73 -0.03 0.00 0.13 0.00 0.00 42.46 39.65 2h3x s ILE 7 CO -0.07 0.57 0.26 -1.61 -1.91 0.00 0.00 174.94 172.17 2h3x s GLU 8 N -0.53 3.17 -0.06 3.50 2.02 -1.26 -0.86 118.70 124.68 2h3x s GLU 8 Ca 0.09 -0.87 -0.02 0.00 0.02 0.00 0.00 54.97 54.19 2h3x s GLU 8 Cb -0.12 -2.74 0.04 0.00 0.10 0.00 0.00 34.13 31.41 2h3x s GLU 8 CO 0.02 0.44 0.13 0.20 0.02 0.00 0.00 175.26 176.07 2h3x s GLY 9 N -3.70 -0.01 0.50 -1.39 0.00 0.25 -2.49 107.32 100.48 2h3x s GLY 9 Ca 0.33 0.62 0.05 0.00 0.00 0.00 0.00 44.72 45.72 2h3x s GLY 9 CO 0.27 0.94 0.25 0.54 0.00 0.00 0.00 173.10 175.10 2h3x s ASN 10 N 1.14 4.47 0.04 1.64 2.20 -1.06 -0.30 114.94 123.06 2h3x s ASN 10 Ca -0.09 -1.30 0.13 0.00 -0.94 0.00 0.00 52.86 50.67 2h3x s ASN 10 Cb -0.12 0.20 0.57 0.00 -2.00 0.00 0.00 41.25 39.90 2h3x s ASN 10 CO -0.05 -0.89 1.41 0.47 -2.94 0.00 0.00 177.10 175.10 2h3x n ASP 11 N -1.51 0.09 -0.70 3.54 8.00 -1.26 -1.88 116.55 122.83 2h3x n ASP 11 Ca -0.06 0.53 0.07 0.00 0.71 0.00 0.00 54.79 56.03 2h3x n ASP 11 Cb 0.65 -0.55 0.18 0.00 -0.02 0.00 0.00 41.12 41.39 2h3x n ASP 11 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2h3x n SER 12 N -1.61 2.04 -3.06 -2.24 7.64 -1.26 -4.93 113.62 110.21 2h3x n SER 12 Ca 0.03 -1.98 -0.15 0.00 1.01 0.00 0.00 58.87 57.78 2h3x n SER 12 Cb 0.14 -0.25 0.08 0.00 -1.01 0.00 0.00 64.21 63.17 2h3x n SER 12 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2h3x n MET 13 N 0.61 -5.69 -4.07 1.43 1.56 -0.79 -5.03 117.12 105.15 2h3x n MET 13 Ca 0.13 0.72 -0.12 0.00 -0.27 0.00 0.00 57.70 58.15 2h3x n MET 13 Cb 0.33 -5.35 -0.11 0.00 2.15 0.00 0.00 33.22 30.24 2h3x n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2h3x s GLN 14 N -5.23 0.54 -0.05 2.12 -0.21 -1.26 -4.45 119.66 111.12 2h3x s GLN 14 Ca 0.04 -0.81 -0.02 0.00 0.02 0.00 0.00 55.36 54.59 2h3x s GLN 14 Cb -0.02 -0.24 -0.04 0.00 1.00 0.00 0.00 33.01 33.72 2h3x s GLN 14 CO 0.62 0.03 0.08 -0.06 -2.12 0.00 0.00 175.29 173.84 2h3x s PHE 15 N -1.67 3.34 -0.57 0.91 2.99 -1.26 -2.57 117.98 119.16 2h3x s PHE 15 Ca -0.08 0.28 0.03 0.00 0.00 0.00 0.00 56.93 57.16 2h3x s PHE 15 Cb -0.08 -1.80 0.22 0.00 0.00 0.00 0.00 43.02 41.36 2h3x s PHE 15 CO -0.00 0.58 0.99 0.27 -0.00 0.00 0.00 175.22 177.05 2h3x n ASN 16 N 1.53 2.63 -3.64 1.36 2.04 -1.04 -4.72 115.26 113.43 2h3x n ASN 16 Ca -0.15 -2.33 -0.06 0.00 -0.44 0.00 0.00 54.58 51.60 2h3x n ASN 16 Cb 0.53 -0.57 -0.07 0.00 -2.53 0.00 0.00 39.78 37.15 2h3x n ASN 16 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 2h3x s THR 17 N -1.31 -0.11 -0.46 5.53 2.01 -1.26 -4.88 115.64 115.16 2h3x s THR 17 Ca 0.16 0.00 0.14 0.00 0.31 0.00 0.00 61.69 62.30 2h3x s THR 17 Cb 0.12 -1.00 0.44 0.00 0.01 0.00 0.00 72.50 72.08 2h3x s THR 17 CO 0.04 0.00 1.36 2.29 -0.69 0.00 0.00 174.62 177.62 2h3x n LYS 18 N 4.37 2.91 -3.58 4.92 2.85 -1.26 -4.81 118.16 123.56 2h3x n LYS 18 Ca -0.19 -2.54 -0.01 0.00 -1.05 0.00 0.00 58.31 54.53 2h3x n LYS 18 Cb 0.58 -1.62 -0.06 0.00 -0.65 0.00 0.00 35.03 33.27 2h3x n LYS 18 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2h3x s SER 19 N -1.58 -0.42 -0.06 -5.58 1.04 -1.26 -2.42 113.70 103.42 2h3x s SER 19 Ca 0.35 0.65 0.03 0.00 0.48 0.00 0.00 55.95 57.46 2h3x s SER 19 Cb 0.26 1.25 0.00 0.00 0.10 0.00 0.00 66.02 67.64 2h3x s SER 19 CO 0.11 -0.10 -0.16 -0.63 0.98 0.00 0.00 173.24 173.45 2h3x s ILE 20 N 1.53 1.37 -0.09 -1.02 1.01 -0.79 -4.97 121.20 118.24 2h3x s ILE 20 Ca -0.07 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 2h3x s ILE 20 Cb -0.04 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 2h3x s ILE 20 CO -0.14 0.40 0.00 -0.69 0.00 0.00 0.00 174.94 174.51 2h3x s VAL 21 N 0.34 4.34 -0.19 2.92 1.01 -1.26 -1.00 120.40 126.57 2h3x s VAL 21 Ca -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 2h3x s VAL 21 Cb -0.14 -2.83 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 2h3x s VAL 21 CO 0.04 0.60 -0.10 0.68 0.00 0.00 0.00 175.10 176.32 2h3x s VAL 22 N -0.85 3.00 0.39 2.92 -7.23 0.95 -4.95 120.40 114.62 2h3x s VAL 22 Ca 0.13 -0.64 -0.27 0.00 -1.81 0.00 0.00 61.98 59.39 2h3x s VAL 22 Cb -0.11 -2.31 -0.09 0.00 0.56 0.00 0.00 36.38 34.42 2h3x s VAL 22 CO 0.02 0.48 1.32 -0.62 -0.31 0.00 0.00 175.10 175.99 2h3x s ASP 23 N 1.11 6.39 0.48 4.85 3.68 -1.26 0.21 116.67 132.13 2h3x s ASP 23 Ca 0.01 2.69 0.21 0.00 2.13 0.00 0.00 52.55 57.58 2h3x s ASP 23 Cb -0.14 -2.64 1.23 0.00 -1.45 0.00 0.00 42.92 39.91 2h3x s ASP 23 CO -0.03 -0.80 2.03 0.11 0.13 0.00 0.00 175.17 176.61 2h3x h LYS 24 N 2.81 0.00 0.00 4.34 1.57 -1.93 -1.59 116.57 121.78 2h3x h LYS 24 Ca -0.50 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.26 2h3x h LYS 24 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 2h3x h LYS 24 CO 0.63 0.16 -0.11 1.79 -0.57 0.00 0.00 179.45 181.35 2h3x h THR 25 N 0.00 0.90 -2.70 -0.16 1.35 -2.00 -3.43 112.91 106.87 2h3x h THR 25 Ca -0.00 -0.41 -0.53 0.00 -0.55 0.00 0.00 66.41 64.92 2h3x h THR 25 Cb 0.33 1.23 0.04 0.00 -1.73 0.00 0.00 68.15 68.03 2h3x h THR 25 CO 0.02 0.11 0.98 0.00 -0.25 0.00 0.00 175.52 176.38 2h3x n LYS 27 N 4.73 0.00 -4.10 0.00 3.00 -1.26 -4.75 118.16 115.78 2h3x n LYS 27 Ca 0.16 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.22 2h3x n LYS 27 Cb 0.38 -0.56 -0.05 0.00 0.00 0.00 0.00 35.03 34.80 2h3x n LYS 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2h3x s GLU 28 N -0.13 2.89 -0.08 1.64 -1.05 -1.26 -1.91 118.70 118.80 2h3x s GLU 28 Ca 0.00 -0.95 0.04 0.00 -0.15 0.00 0.00 54.97 53.91 2h3x s GLU 28 Cb 0.00 -2.60 -0.00 0.00 -0.44 0.00 0.00 34.13 31.09 2h3x s GLU 28 CO 0.00 0.45 -0.22 0.12 0.95 0.00 0.00 175.26 176.56 2h3x s PHE 29 N -1.90 2.36 -0.18 4.83 5.99 0.22 -4.79 117.98 124.51 2h3x s PHE 29 Ca 0.32 -0.89 -0.05 0.00 0.00 0.00 0.00 56.93 56.30 2h3x s PHE 29 Cb -0.09 -1.58 -0.03 0.00 0.00 0.00 0.00 43.02 41.32 2h3x s PHE 29 CO 0.24 -0.35 0.00 0.99 -0.00 0.00 0.00 175.22 176.10 2h3x s THR 30 N 0.26 4.11 -0.23 0.12 2.01 -1.17 -0.57 115.64 120.16 2h3x s THR 30 Ca -0.15 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.60 2h3x s THR 30 Cb -0.17 -2.84 0.05 0.00 0.01 0.00 0.00 72.50 69.56 2h3x s THR 30 CO 0.07 0.45 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.84 2h3x s ILE 31 N 0.68 1.89 -0.04 1.82 2.07 0.14 -3.05 121.20 124.71 2h3x s ILE 31 Ca -0.00 -1.34 -0.14 0.00 -1.41 0.00 0.00 60.65 57.76 2h3x s ILE 31 Cb -0.14 -2.00 -0.05 0.00 0.13 0.00 0.00 42.46 40.40 2h3x s ILE 31 CO 0.02 0.04 0.38 0.20 -1.91 0.00 0.00 174.94 173.67 2h3x s ASN 32 N 1.25 6.72 -0.09 4.50 0.01 0.10 -1.42 114.94 126.01 2h3x s ASN 32 Ca -0.05 0.86 0.04 0.00 -0.71 0.00 0.00 52.86 53.00 2h3x s ASN 32 Cb -0.18 -2.23 -0.00 0.00 0.41 0.00 0.00 41.25 39.25 2h3x s ASN 32 CO -0.07 0.28 -0.24 -0.22 -1.51 0.00 0.00 177.10 175.35 2h3x s LEU 33 N -0.77 2.08 -0.07 0.60 2.96 1.00 0.11 118.68 124.59 2h3x s LEU 33 Ca 0.22 -0.55 0.05 0.00 -0.22 0.00 0.00 54.13 53.63 2h3x s LEU 33 Cb -0.16 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 2h3x s LEU 33 CO 0.11 0.17 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.54 2h3x s LYS 34 N 0.27 2.68 -0.59 1.98 1.02 -0.04 -0.81 119.74 124.26 2h3x s LYS 34 Ca -0.17 -0.87 -0.13 0.00 0.02 0.00 0.00 55.97 54.82 2h3x s LYS 34 Cb -0.17 -2.23 0.15 0.00 -0.52 0.00 0.00 37.83 35.05 2h3x s LYS 34 CO 0.08 0.35 0.51 -1.58 -0.92 0.00 0.00 175.35 173.80 2h3x s HIS 35 N -0.09 3.42 -0.48 3.18 5.65 -0.51 -0.58 115.29 125.88 2h3x s HIS 35 Ca -0.05 -1.70 0.26 0.00 0.25 0.00 0.00 55.06 53.82 2h3x s HIS 35 Cb -0.14 -3.68 0.94 0.00 -1.18 0.00 0.00 32.58 28.51 2h3x s HIS 35 CO 0.04 -1.00 1.76 1.79 -0.65 0.00 0.00 174.74 176.69 2h3x h THR 36 N 5.69 0.00 -1.19 0.89 1.35 -0.96 0.23 112.91 118.92 2h3x h THR 36 Ca -0.17 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2h3x h THR 36 Cb 1.07 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 2h3x h THR 36 CO 0.91 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 2h3x n GLY 37 N 0.48 -2.21 0.00 5.82 0.00 -1.21 -4.70 105.19 103.37 2h3x n GLY 37 Ca 0.03 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2h3x n GLY 37 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2h3x n LYS 38 N -0.94 0.38 -2.84 1.61 2.85 -1.26 -2.79 118.16 115.17 2h3x n LYS 38 Ca 0.00 -0.60 -0.40 0.00 -1.05 0.00 0.00 58.31 56.26 2h3x n LYS 38 Cb 0.00 -0.57 -0.06 0.00 -0.65 0.00 0.00 35.03 33.75 2h3x n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2h3x s LEU 39 N -0.13 4.60 0.72 -5.58 1.43 -1.26 -4.68 118.68 113.79 2h3x s LEU 39 Ca 0.00 1.80 -0.16 0.00 -1.03 0.00 0.00 54.13 54.75 2h3x s LEU 39 Cb 0.00 -3.48 0.03 0.00 0.03 0.00 0.00 46.19 42.76 2h3x s LEU 39 CO 0.00 0.14 1.17 -0.81 0.23 0.00 0.00 176.35 177.08 2h3x n PRO 40 N 1.76 0.62 0.09 1.29 -0.04 -1.26 -1.16 135.00 136.29 2h3x n PRO 40 Ca -0.03 0.28 0.15 0.00 -0.04 0.00 0.00 63.50 63.85 2h3x n PRO 40 Cb 0.48 -2.41 0.65 0.00 -0.04 0.00 0.00 33.50 32.18 2h3x n PRO 40 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2h3x h LYS 41 N -0.18 0.05 0.00 0.54 2.10 -1.89 0.07 116.57 117.25 2h3x h LYS 41 Ca -0.48 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2h3x h LYS 41 Cb 1.32 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2h3x h LYS 41 CO 0.49 0.03 0.00 0.00 -2.00 0.00 0.00 179.45 177.97 2h3x h ALA 42 N 1.83 1.00 0.00 0.07 0.00 -1.94 -0.54 119.26 119.68 2h3x h ALA 42 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2h3x h ALA 42 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2h3x h ALA 42 CO -0.01 0.00 -1.20 0.00 0.00 0.00 0.00 179.25 178.04 2h3x n ALA 43 N -1.96 1.93 -2.41 0.00 0.00 -0.08 -4.86 120.51 113.14 2h3x n ALA 43 Ca -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.23 2h3x n ALA 43 Cb 0.11 0.19 0.01 0.00 0.00 0.00 0.00 19.45 19.76 2h3x n ALA 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2h3x n MET 44 N -2.12 0.33 -1.55 0.00 0.00 -0.68 -5.03 117.12 108.06 2h3x n MET 44 Ca -0.05 -1.83 -0.36 0.00 -0.00 0.00 0.00 57.70 55.46 2h3x n MET 44 Cb 0.60 -0.02 0.09 0.00 0.00 0.00 0.00 33.22 33.88 2h3x n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2h3x s GLY 45 N -1.86 2.63 0.14 -5.12 0.00 -0.21 -4.86 107.32 98.03 2h3x s GLY 45 Ca 0.21 1.08 0.05 0.00 0.00 0.00 0.00 44.72 46.07 2h3x s GLY 45 CO -0.10 1.51 -0.12 0.30 0.00 0.00 0.00 173.10 174.69 2h3x s HIS 46 N -1.65 1.34 0.25 1.90 3.76 -0.64 -4.81 115.29 115.45 2h3x s HIS 46 Ca 0.79 -0.64 -0.14 0.00 -0.15 0.00 0.00 55.06 54.92 2h3x s HIS 46 Cb -0.34 -0.69 0.00 0.00 1.11 0.00 0.00 32.58 32.66 2h3x s HIS 46 CO 0.43 0.13 0.52 0.54 -0.85 0.00 0.00 174.74 175.51 2h3x s ASN 47 N -2.82 -0.12 -0.07 1.40 2.20 -1.26 -1.27 114.94 113.00 2h3x s ASN 47 Ca 0.13 -0.87 0.03 0.00 -0.94 0.00 0.00 52.86 51.21 2h3x s ASN 47 Cb -0.01 0.61 0.01 0.00 -2.00 0.00 0.00 41.25 39.86 2h3x s ASN 47 CO 0.02 -1.18 -0.16 -0.69 -2.94 0.00 0.00 177.10 172.15 2h3x s VAL 48 N -3.99 1.42 -0.09 3.54 1.01 -1.26 -3.74 120.40 117.29 2h3x s VAL 48 Ca 0.20 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2h3x s VAL 48 Cb -0.02 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.12 2h3x s VAL 48 CO 0.09 0.42 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 2h3x s VAL 49 N 0.48 1.16 -0.14 2.92 1.01 0.28 -1.13 120.40 124.97 2h3x s VAL 49 Ca -0.14 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 2h3x s VAL 49 Cb -0.16 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 2h3x s VAL 49 CO 0.05 0.38 0.23 -0.69 0.00 0.00 0.00 175.10 175.07 2h3x s VAL 50 N 1.18 5.34 0.20 2.92 1.01 -0.09 -1.25 120.40 129.71 2h3x s VAL 50 Ca -0.04 0.42 -0.23 0.00 0.00 0.00 0.00 61.98 62.13 2h3x s VAL 50 Cb -0.14 -3.55 0.05 0.00 0.00 0.00 0.00 36.38 32.73 2h3x s VAL 50 CO -0.03 0.47 0.88 -0.55 0.00 0.00 0.00 175.10 175.87 2h3x s SER 51 N -0.06 -0.20 0.23 3.32 0.15 -1.05 -0.99 113.70 115.11 2h3x s SER 51 Ca 0.15 -0.50 -0.30 0.00 0.70 0.00 0.00 55.95 56.00 2h3x s SER 51 Cb -0.13 0.58 -0.10 0.00 -1.71 0.00 0.00 66.02 64.66 2h3x s SER 51 CO 0.04 -1.07 1.50 -0.54 1.20 0.00 0.00 173.24 174.37 2h3x s LYS 52 N -3.47 4.23 0.39 5.44 1.02 -1.26 -2.17 119.74 123.92 2h3x s LYS 52 Ca 0.12 2.36 0.21 0.00 0.02 0.00 0.00 55.97 58.69 2h3x s LYS 52 Cb -0.03 -3.11 1.24 0.00 -0.52 0.00 0.00 37.83 35.41 2h3x s LYS 52 CO 0.04 -0.51 1.65 -0.22 -0.92 0.00 0.00 175.35 175.39 2h3x h LYS 53 N 5.56 0.21 -0.42 1.68 3.64 -1.67 0.14 116.57 125.70 2h3x h LYS 53 Ca -0.45 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 58.77 2h3x h LYS 53 Cb 1.21 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.90 2h3x h LYS 53 CO 0.82 0.14 0.06 -1.13 -2.27 0.00 0.00 179.45 177.07 2h3x n SER 54 N -4.89 3.47 -0.08 4.20 3.41 -1.26 -3.92 113.62 114.55 2h3x n SER 54 Ca 0.34 -3.39 0.01 0.00 -0.26 0.00 0.00 58.87 55.57 2h3x n SER 54 Cb 1.16 -0.63 0.02 0.00 -0.26 0.00 0.00 64.21 64.50 2h3x n SER 54 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2h3x n ASP 55 N -0.75 0.95 -0.07 4.04 4.64 0.44 -4.77 116.55 121.03 2h3x n ASP 55 Ca 0.32 -1.73 -0.11 0.00 -1.38 0.00 0.00 54.79 51.88 2h3x n ASP 55 Cb 1.08 -0.08 -0.10 0.00 -1.04 0.00 0.00 41.12 40.99 2h3x n ASP 55 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 2h3x h GLU 56 N 0.00 0.00 -0.46 -0.67 4.81 -1.55 -3.21 114.58 113.49 2h3x h GLU 56 Ca 0.00 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 2h3x h GLU 56 Cb 0.89 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.18 2h3x h GLU 56 CO 0.00 0.74 -0.19 1.03 -0.73 0.00 0.00 179.01 179.86 2h3x h SER 57 N -1.00 -0.66 -0.79 1.04 0.87 -1.86 -1.51 113.55 109.64 2h3x h SER 57 Ca -0.04 0.16 0.06 0.00 -1.23 0.00 0.00 61.79 60.75 2h3x h SER 57 Cb 0.79 0.37 -0.06 0.00 -0.44 0.00 0.00 62.40 63.06 2h3x h SER 57 CO -0.02 -0.22 0.47 0.00 -0.53 0.00 0.00 176.83 176.53 2h3x h ALA 58 N 1.26 1.09 -0.46 6.23 0.00 -1.90 -1.95 119.26 123.54 2h3x h ALA 58 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 2h3x h ALA 58 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2h3x h ALA 58 CO -0.52 0.18 -0.26 0.28 0.00 0.00 0.00 179.25 178.93 2h3x h VAL 59 N 0.86 1.27 -0.61 0.00 2.07 -1.33 -1.91 116.25 116.60 2h3x h VAL 59 Ca 0.35 -1.42 -0.07 0.00 0.82 0.00 0.00 66.70 66.38 2h3x h VAL 59 Cb 0.20 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2h3x h VAL 59 CO -0.18 0.49 0.11 0.00 0.02 0.00 0.00 177.57 178.00 2h3x h ALA 60 N 0.84 1.04 -0.37 1.67 0.00 -1.01 0.62 119.26 122.05 2h3x h ALA 60 Ca 0.10 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2h3x h ALA 60 Cb 0.84 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2h3x h ALA 60 CO 0.07 0.62 -0.09 1.15 0.00 0.00 0.00 179.25 181.00 2h3x h THR 61 N 0.92 1.28 0.00 0.00 2.02 -1.29 -0.24 112.91 115.59 2h3x h THR 61 Ca 0.19 -1.16 -0.13 0.00 0.77 0.00 0.00 66.41 66.08 2h3x h THR 61 Cb 0.39 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 2h3x h THR 61 CO 0.01 0.39 -0.60 0.44 0.37 0.00 0.00 175.52 176.13 2h3x h ASP 62 N 0.52 0.00 0.16 4.18 3.45 -1.11 -3.05 116.42 120.57 2h3x h ASP 62 Ca 0.09 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.39 2h3x h ASP 62 Cb 0.60 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.37 2h3x h ASP 62 CO 0.04 0.60 -0.62 1.23 -1.57 0.00 0.00 179.24 178.92 2h3x h GLY 63 N 2.04 0.49 1.02 2.75 0.00 0.50 -2.78 103.07 107.08 2h3x h GLY 63 Ca -0.01 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 46.73 2h3x h GLY 63 CO 0.08 0.55 0.62 1.98 0.00 0.00 0.00 176.54 179.77 2h3x h MET 64 N 0.33 1.19 0.00 4.80 1.85 -0.93 -0.99 114.93 121.18 2h3x h MET 64 Ca -0.01 -0.07 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 2h3x h MET 64 Cb 1.16 -0.27 0.00 0.00 0.43 0.00 0.00 31.60 32.92 2h3x h MET 64 CO 0.11 0.79 0.00 0.87 -0.40 0.00 0.00 176.91 178.28 2h3x h LYS 65 N 1.23 0.00 -0.40 0.39 1.57 -1.48 -3.18 116.57 114.70 2h3x h LYS 65 Ca 0.36 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.00 2h3x h LYS 65 Cb -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2h3x h LYS 65 CO -0.09 0.00 -0.30 0.00 -0.57 0.00 0.00 179.45 178.49 2h3x h ALA 66 N 2.08 0.71 0.00 3.86 0.00 -0.90 -3.50 119.26 121.52 2h3x h ALA 66 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2h3x h ALA 66 Cb 0.70 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2h3x h ALA 66 CO 0.00 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 2h3x n GLY 67 N -0.04 1.22 0.26 0.00 0.00 -1.18 -4.31 105.19 101.14 2h3x n GLY 67 Ca -0.01 -1.87 0.10 0.00 0.00 0.00 0.00 46.02 44.24 2h3x n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2h3x h LEU 68 N 0.00 0.00 -2.33 0.99 5.85 -1.90 -0.59 115.31 117.33 2h3x h LEU 68 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2h3x h LEU 68 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2h3x h LEU 68 CO 0.00 0.06 -0.04 0.78 -0.34 0.00 0.00 178.44 178.90 2h3x h ASN 69 N 0.00 0.00 -0.44 1.25 2.35 -2.00 -1.53 115.58 115.20 2h3x h ASN 69 Ca -0.00 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.47 2h3x h ASN 69 Cb 0.11 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.30 2h3x h ASN 69 CO 0.01 0.04 -0.25 0.59 -1.65 0.00 0.00 177.43 176.16 2h3x n ASN 70 N -3.40 3.35 -3.62 5.81 3.02 -0.32 -4.94 115.26 115.16 2h3x n ASN 70 Ca -0.02 -3.81 -0.24 0.00 -0.03 0.00 0.00 54.58 50.48 2h3x n ASN 70 Cb 0.16 -0.58 -0.04 0.00 -0.61 0.00 0.00 39.78 38.71 2h3x n ASN 70 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2h3x n ASP 71 N -1.01 -1.85 -3.82 6.41 8.00 -0.58 -0.78 116.55 122.92 2h3x n ASP 71 Ca 0.36 -0.48 -0.25 0.00 0.71 0.00 0.00 54.79 55.13 2h3x n ASP 71 Cb 0.93 -1.63 0.02 0.00 -0.02 0.00 0.00 41.12 40.41 2h3x n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2h3x n TYR 72 N -3.48 -1.97 -3.66 1.24 4.01 -0.66 -4.76 117.16 107.88 2h3x n TYR 72 Ca 0.05 0.84 -0.11 0.00 -0.16 0.00 0.00 57.90 58.52 2h3x n TYR 72 Cb 0.48 -4.11 -0.12 0.00 -0.31 0.00 0.00 39.34 35.28 2h3x n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2h3x s VAL 73 N -3.61 -0.52 0.05 -0.72 1.01 0.04 -4.35 120.40 112.30 2h3x s VAL 73 Ca 0.21 0.23 -0.36 0.00 0.00 0.00 0.00 61.98 62.07 2h3x s VAL 73 Cb -0.11 -0.54 -0.15 0.00 0.00 0.00 0.00 36.38 35.58 2h3x s VAL 73 CO 0.83 0.09 1.55 1.17 0.00 0.00 0.00 175.10 178.75 2h3x n LYS 74 N 5.37 1.69 -1.70 2.72 4.81 -1.26 -4.76 118.16 125.03 2h3x n LYS 74 Ca -0.07 0.61 -0.55 0.00 -0.87 0.00 0.00 58.31 57.43 2h3x n LYS 74 Cb 0.50 -2.34 -0.06 0.00 0.02 0.00 0.00 35.03 33.15 2h3x n LYS 74 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2h3x n ALA 75 N 3.75 0.07 -1.97 3.14 0.00 -1.26 -1.19 120.51 123.04 2h3x n ALA 75 Ca 0.19 0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.86 2h3x n ALA 75 Cb 0.24 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.37 2h3x n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h3x n GLY 76 N 4.16 0.35 3.66 0.00 0.00 -1.26 -4.93 105.19 107.17 2h3x n GLY 76 Ca 0.25 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2h3x n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h3x s ASP 77 N -2.54 6.44 0.02 1.61 -1.08 -0.33 -4.83 116.67 115.95 2h3x s ASP 77 Ca 0.00 2.69 0.14 0.00 -0.52 0.00 0.00 52.55 54.86 2h3x s ASP 77 Cb 0.00 -2.54 0.60 0.00 -1.46 0.00 0.00 42.92 39.53 2h3x s ASP 77 CO 0.00 -1.05 1.45 -0.62 0.52 0.00 0.00 175.17 175.47 2h3x n GLU 78 N 7.28 0.01 0.00 4.34 1.02 -1.26 -2.57 120.64 129.46 2h3x n GLU 78 Ca 0.20 0.28 0.13 0.00 -0.02 0.00 0.00 57.16 57.75 2h3x n GLU 78 Cb 0.41 -1.52 0.46 0.00 -0.02 0.00 0.00 31.44 30.77 2h3x n GLU 78 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2h3x n ARG 79 N -1.55 0.38 -3.45 3.49 1.74 -1.26 -4.81 116.66 111.20 2h3x n ARG 79 Ca 0.03 -0.16 -0.39 0.00 -0.77 0.00 0.00 57.85 56.56 2h3x n ARG 79 Cb 0.16 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.01 2h3x n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2h3x s VAL 80 N -2.73 5.21 0.27 1.55 1.01 -1.06 -4.18 120.40 120.46 2h3x s VAL 80 Ca 0.20 0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.72 2h3x s VAL 80 Cb 0.19 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 2h3x s VAL 80 CO 0.56 0.19 1.62 0.40 0.00 0.00 0.00 175.10 177.87 2h3x h ILE 81 N 5.35 1.38 0.00 2.22 5.03 -1.38 -3.47 117.51 126.63 2h3x h ILE 81 Ca -0.33 -1.89 0.00 0.00 -0.12 0.00 0.00 64.86 62.52 2h3x h ILE 81 Cb 1.17 1.96 0.00 0.00 -3.03 0.00 0.00 36.82 36.92 2h3x h ILE 81 CO 0.63 0.55 0.00 0.00 -0.68 0.00 0.00 178.15 178.65 2h3x n ALA 82 N -2.46 0.00 -3.63 1.87 0.00 -1.23 -4.98 120.51 110.08 2h3x n ALA 82 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 2h3x n ALA 82 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 2h3x n ALA 82 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2h3x s HIS 83 N -2.00 -0.77 0.93 0.00 -3.43 -1.26 -0.92 115.29 107.84 2h3x s HIS 83 Ca 0.00 1.77 -0.13 0.00 -0.80 0.00 0.00 55.06 55.89 2h3x s HIS 83 Cb 0.00 0.37 0.20 0.00 -1.43 0.00 0.00 32.58 31.72 2h3x s HIS 83 CO 0.00 -0.38 1.28 0.95 -2.00 0.00 0.00 174.74 174.59 2h3x s THR 84 N 0.69 2.01 0.83 -5.38 -4.23 -0.28 -4.95 115.64 104.33 2h3x s THR 84 Ca -0.02 -0.11 -0.09 0.00 -1.18 0.00 0.00 61.69 60.28 2h3x s THR 84 Cb -0.05 -2.90 0.14 0.00 1.34 0.00 0.00 72.50 71.03 2h3x s THR 84 CO -0.06 0.00 1.15 -0.44 -0.54 0.00 0.00 174.62 174.73 2h3x s SER 85 N -4.89 3.94 -0.24 3.99 0.01 -1.26 -4.62 113.70 110.64 2h3x s SER 85 Ca 0.74 0.17 -0.14 0.00 1.31 0.00 0.00 55.95 58.02 2h3x s SER 85 Cb -0.03 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 2h3x s SER 85 CO 0.52 -2.18 0.32 -0.69 0.41 0.00 0.00 173.24 171.62 2h3x s VAL 86 N -3.51 5.23 0.24 3.43 1.01 -1.26 -4.46 120.40 121.08 2h3x s VAL 86 Ca 0.68 0.51 0.09 0.00 0.00 0.00 0.00 61.98 63.26 2h3x s VAL 86 Cb -0.06 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2h3x s VAL 86 CO 0.48 0.24 -0.01 0.27 0.00 0.00 0.00 175.10 176.09 2h3x s ILE 87 N 1.52 3.48 0.29 2.22 -4.36 -0.40 -4.90 121.20 119.05 2h3x s ILE 87 Ca 0.14 -1.80 0.03 0.00 -0.26 0.00 0.00 60.65 58.76 2h3x s ILE 87 Cb -0.15 -2.83 0.03 0.00 1.25 0.00 0.00 42.46 40.76 2h3x s ILE 87 CO 0.08 -0.30 0.24 0.61 0.24 0.00 0.00 174.94 175.80 2h3x n GLY 88 N -0.67 2.79 3.67 6.27 0.00 -1.26 -1.63 105.19 114.36 2h3x n GLY 88 Ca -0.07 -2.23 -0.46 0.00 0.00 0.00 0.00 46.02 43.26 2h3x n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h3x n GLY 89 N 1.50 1.19 2.10 -0.02 0.00 -0.31 -1.36 105.19 108.29 2h3x n GLY 89 Ca -0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 2h3x n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h3x n GLY 90 N 3.52 3.15 3.91 -0.02 0.00 0.81 -4.81 105.19 111.73 2h3x n GLY 90 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 2h3x n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h3x s GLU 91 N -0.39 2.24 0.02 1.61 2.02 -0.46 -4.83 118.70 118.90 2h3x s GLU 91 Ca 0.00 0.07 -0.15 0.00 0.02 0.00 0.00 54.97 54.91 2h3x s GLU 91 Cb 0.00 -2.04 0.02 0.00 0.10 0.00 0.00 34.13 32.21 2h3x s GLU 91 CO 0.00 -1.35 0.32 0.95 0.02 0.00 0.00 175.26 175.20 2h3x s THR 92 N -3.42 0.07 0.28 3.63 -4.23 -1.26 -1.42 115.64 109.29 2h3x s THR 92 Ca 0.60 -0.57 -0.06 0.00 -1.18 0.00 0.00 61.69 60.48 2h3x s THR 92 Cb -0.11 -0.82 -0.01 0.00 1.34 0.00 0.00 72.50 72.91 2h3x s THR 92 CO 0.48 -0.31 0.42 -0.62 -0.54 0.00 0.00 174.62 174.05 2h3x s ASP 93 N -1.76 0.39 -0.04 3.99 2.15 0.01 -4.99 116.67 116.42 2h3x s ASP 93 Ca -0.08 -1.25 -0.17 0.00 0.43 0.00 0.00 52.55 51.48 2h3x s ASP 93 Cb -0.02 0.59 0.03 0.00 -0.30 0.00 0.00 42.92 43.21 2h3x s ASP 93 CO -0.00 -1.16 0.37 -0.44 -0.17 0.00 0.00 175.17 173.77 2h3x s SER 94 N -3.14 -0.28 -0.02 -0.34 0.01 -1.26 -0.00 113.70 108.66 2h3x s SER 94 Ca 0.29 0.27 0.02 0.00 1.31 0.00 0.00 55.95 57.83 2h3x s SER 94 Cb 0.01 0.41 0.01 0.00 0.21 0.00 0.00 66.02 66.66 2h3x s SER 94 CO 0.14 -0.42 -0.07 -0.69 0.41 0.00 0.00 173.24 172.62 2h3x s VAL 95 N -1.08 0.59 -0.16 3.43 1.01 -0.51 -4.85 120.40 118.84 2h3x s VAL 95 Ca -0.11 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2h3x s VAL 95 Cb -0.04 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.80 2h3x s VAL 95 CO 0.04 0.20 -0.21 -0.89 0.00 0.00 0.00 175.10 174.25 2h3x s THR 96 N 0.30 2.03 0.00 3.92 2.01 -1.26 0.26 115.64 122.91 2h3x s THR 96 Ca -0.04 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.03 2h3x s THR 96 Cb -0.08 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 2h3x s THR 96 CO 0.00 0.54 -0.06 0.72 -0.69 0.00 0.00 174.62 175.13 2h3x s PHE 97 N 1.02 0.55 -0.35 4.92 -0.71 0.26 -4.93 117.98 118.75 2h3x s PHE 97 Ca -0.02 -0.16 -0.29 0.00 -1.04 0.00 0.00 56.93 55.42 2h3x s PHE 97 Cb -0.14 -0.35 0.01 0.00 -1.21 0.00 0.00 43.02 41.32 2h3x s PHE 97 CO -0.07 -0.02 1.26 0.16 -1.34 0.00 0.00 175.22 175.22 2h3x s ASP 98 N -0.37 6.65 0.65 1.98 -4.77 -1.26 0.71 116.67 120.26 2h3x s ASP 98 Ca 0.00 1.01 0.14 0.00 -3.30 0.00 0.00 52.55 50.41 2h3x s ASP 98 Cb -0.03 -2.54 0.73 0.00 -1.09 0.00 0.00 42.92 39.98 2h3x s ASP 98 CO -0.00 -1.14 1.40 0.58 0.70 0.00 0.00 175.17 176.71 2h3x h VAL 99 N 6.05 0.02 0.00 2.11 2.07 -1.67 -1.59 116.25 123.23 2h3x h VAL 99 Ca -0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2h3x h VAL 99 Cb 1.09 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2h3x h VAL 99 CO 1.06 0.00 0.01 -1.54 0.02 0.00 0.00 177.57 177.11 2h3x n SER 100 N -2.76 0.00 0.01 0.57 3.41 -1.26 -1.97 113.62 111.62 2h3x n SER 100 Ca 0.01 0.08 -0.06 0.00 -0.26 0.00 0.00 58.87 58.65 2h3x n SER 100 Cb 0.80 -0.08 -0.12 0.00 -0.26 0.00 0.00 64.21 64.55 2h3x n SER 100 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2h3x h LYS 101 N 0.00 0.00 -6.27 4.33 1.57 -1.68 -3.46 116.57 111.06 2h3x h LYS 101 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2h3x h LYS 101 Cb 0.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2h3x h LYS 101 CO 0.00 0.48 1.07 -0.51 -0.57 0.00 0.00 179.45 179.91 2h3x s LEU 102 N -6.07 3.99 0.61 2.94 1.43 -0.83 -4.98 118.68 115.76 2h3x s LEU 102 Ca -0.03 1.64 -0.17 0.00 -1.03 0.00 0.00 54.13 54.54 2h3x s LEU 102 Cb 0.08 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 2h3x s LEU 102 CO 0.82 -1.12 1.11 -0.54 0.23 0.00 0.00 176.35 176.85 2h3x s LYS 103 N 4.35 3.08 0.31 1.70 3.01 -1.26 -5.01 119.74 125.92 2h3x s LYS 103 Ca 0.67 1.45 -0.29 0.00 -1.01 0.00 0.00 55.97 56.78 2h3x s LYS 103 Cb -0.24 -1.98 -0.10 0.00 -1.01 0.00 0.00 37.83 34.50 2h3x s LYS 103 CO 0.26 -1.04 1.23 -1.21 0.51 0.00 0.00 175.35 175.11 2h3x s GLU 104 N -3.78 4.46 0.00 1.68 8.01 -1.26 -3.63 118.70 124.18 2h3x s GLU 104 Ca 0.69 2.06 0.00 0.00 0.01 0.00 0.00 54.97 57.72 2h3x s GLU 104 Cb -0.21 -3.12 0.00 0.00 -4.31 0.00 0.00 34.13 26.49 2h3x s GLU 104 CO 0.35 -0.04 0.00 0.41 0.01 0.00 0.00 175.26 175.99 2h3x n GLY 105 N 1.00 1.35 3.82 -1.39 0.00 -1.26 -4.96 105.19 103.75 2h3x n GLY 105 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2h3x n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h3x s GLU 106 N 0.00 3.88 -0.03 1.61 2.02 -1.24 -5.05 118.70 119.89 2h3x s GLU 106 Ca 0.00 1.13 -0.13 0.00 0.02 0.00 0.00 54.97 55.99 2h3x s GLU 106 Cb 0.00 -2.12 -0.05 0.00 0.10 0.00 0.00 34.13 32.06 2h3x s GLU 106 CO 0.00 -0.34 0.36 -0.51 0.02 0.00 0.00 175.26 174.79 2h3x s ASP 107 N -2.55 6.72 -0.05 -0.19 1.01 -1.26 -4.87 116.67 115.48 2h3x s ASP 107 Ca 0.62 0.86 0.03 0.00 0.71 0.00 0.00 52.55 54.77 2h3x s ASP 107 Cb -0.12 -2.22 0.01 0.00 1.01 0.00 0.00 42.92 41.60 2h3x s ASP 107 CO 0.25 0.33 -0.13 -0.31 0.21 0.00 0.00 175.17 175.51 2h3x s TYR 108 N -0.99 1.46 0.06 4.23 2.02 -1.26 -1.84 117.35 121.04 2h3x s TYR 108 Ca 0.22 -0.48 0.09 0.00 -0.37 0.00 0.00 57.07 56.53 2h3x s TYR 108 Cb -0.16 -1.04 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 2h3x s TYR 108 CO 0.11 -0.22 -0.25 0.00 -1.57 0.00 0.00 175.55 173.62 2h3x s ALA 109 N 0.39 2.17 0.05 3.71 0.00 -0.92 -0.72 121.76 126.44 2h3x s ALA 109 Ca -0.10 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.62 2h3x s ALA 109 Cb -0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2h3x s ALA 109 CO 0.03 0.50 0.05 -0.59 0.00 0.00 0.00 175.76 175.75 2h3x s PHE 110 N -0.87 3.15 0.29 0.00 -0.71 -0.05 -2.52 117.98 117.27 2h3x s PHE 110 Ca 0.11 0.08 -0.19 0.00 -1.04 0.00 0.00 56.93 55.89 2h3x s PHE 110 Cb -0.10 -1.64 0.05 0.00 -1.21 0.00 0.00 43.02 40.13 2h3x s PHE 110 CO 0.03 0.51 0.84 -0.59 -1.34 0.00 0.00 175.22 174.67 2h3x s PHE 111 N -1.27 0.00 -0.19 3.49 -0.71 -0.38 0.50 117.98 119.42 2h3x s PHE 111 Ca 0.25 -0.53 -0.07 0.00 -1.04 0.00 0.00 56.93 55.55 2h3x s PHE 111 Cb -0.12 0.76 -0.04 0.00 -1.21 0.00 0.00 43.02 42.41 2h3x s PHE 111 CO 0.17 -1.27 0.05 0.00 -1.34 0.00 0.00 175.22 172.83 2h3x n SER 113 N 3.69 1.75 -4.68 0.00 3.41 -1.26 -2.39 113.62 114.14 2h3x n SER 113 Ca -0.17 -1.44 -0.46 0.00 -0.26 0.00 0.00 58.87 56.54 2h3x n SER 113 Cb 0.52 0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.53 2h3x n SER 113 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2h3x n PHE 114 N 0.16 2.38 -0.28 7.33 -0.00 -1.26 -4.55 117.46 121.23 2h3x n PHE 114 Ca 0.15 -0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.47 2h3x n PHE 114 Cb 0.42 -2.66 -0.03 0.00 -0.00 0.00 0.00 39.48 37.21 2h3x n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2h3x n PRO 115 N 5.86 0.00 -0.05 -7.13 -0.02 -1.26 -1.02 135.00 131.37 2h3x n PRO 115 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2h3x n PRO 115 Cb 0.32 -0.33 0.00 0.00 -0.02 0.00 0.00 33.50 33.47 2h3x n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h3x n GLY 116 N 1.60 1.99 0.09 -1.23 0.00 -1.26 -4.94 105.19 101.44 2h3x n GLY 116 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 2h3x n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2h3x h HIS 117 N 0.00 0.00 -0.03 1.61 3.86 -1.33 -3.35 115.15 115.92 2h3x h HIS 117 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2h3x h HIS 117 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 2h3x h HIS 117 CO 0.00 0.80 0.19 0.11 0.86 0.00 0.00 177.93 179.89 2h3x h TRP 118 N 0.00 0.00 -0.76 2.45 5.08 -1.67 0.57 115.95 121.62 2h3x h TRP 118 Ca -0.03 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.92 2h3x h TRP 118 Cb 1.63 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.76 2h3x h TRP 118 CO 0.00 0.00 0.38 0.66 -1.28 0.00 0.00 178.44 178.20 2h3x h SER 119 N 0.00 0.96 0.00 0.11 4.64 -1.89 -3.34 113.55 114.04 2h3x h SER 119 Ca 0.01 -0.10 -0.19 0.00 -0.47 0.00 0.00 61.79 61.04 2h3x h SER 119 Cb 0.39 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 2h3x h SER 119 CO -0.00 0.80 -1.72 -0.38 -0.87 0.00 0.00 176.83 174.67 2h3x n ILE 120 N -4.33 0.72 -1.61 0.95 5.41 -0.82 -4.70 119.36 114.99 2h3x n ILE 120 Ca 0.07 -0.29 -0.39 0.00 1.00 0.00 0.00 62.75 63.14 2h3x n ILE 120 Cb 0.13 -0.93 -0.02 0.00 -0.71 0.00 0.00 39.64 38.11 2h3x n ILE 120 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 2h3x n MET 121 N -2.82 4.05 -4.92 0.38 2.81 0.13 -4.85 117.12 111.90 2h3x n MET 121 Ca -0.22 -2.74 -0.26 0.00 -1.81 0.00 0.00 57.70 52.67 2h3x n MET 121 Cb 0.75 -2.70 -0.16 0.00 -0.71 0.00 0.00 33.22 30.40 2h3x n MET 121 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2h3x s LYS 122 N 0.62 1.65 0.30 0.03 2.36 -1.25 -2.09 119.74 121.35 2h3x s LYS 122 Ca 0.63 -0.68 0.04 0.00 -2.55 0.00 0.00 55.97 53.41 2h3x s LYS 122 Cb 0.19 -1.54 -0.01 0.00 -1.05 0.00 0.00 37.83 35.41 2h3x s LYS 122 CO -0.08 0.37 0.32 0.41 1.55 0.00 0.00 175.35 177.92 2h3x n GLY 123 N 2.75 2.74 3.08 5.54 0.00 0.18 -4.87 105.19 114.61 2h3x n GLY 123 Ca -0.16 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 2h3x n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h3x s THR 124 N -3.07 1.63 -0.24 2.61 2.01 -1.02 -0.87 115.64 116.70 2h3x s THR 124 Ca 0.33 -0.72 -0.07 0.00 0.31 0.00 0.00 61.69 61.54 2h3x s THR 124 Cb 0.01 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 2h3x s THR 124 CO 0.23 0.47 0.06 -0.51 -0.69 0.00 0.00 174.62 174.17 2h3x s ILE 125 N 0.97 4.24 0.34 1.82 2.07 0.10 -1.88 121.20 128.86 2h3x s ILE 125 Ca -0.06 -0.20 0.07 0.00 -1.41 0.00 0.00 60.65 59.05 2h3x s ILE 125 Cb -0.15 -2.97 -0.07 0.00 0.13 0.00 0.00 42.46 39.40 2h3x s ILE 125 CO -0.02 0.36 -0.02 -1.83 -1.91 0.00 0.00 174.94 171.52 2h3x s GLU 126 N 1.47 1.75 0.09 3.50 -1.05 -0.17 -4.25 118.70 120.05 2h3x s GLU 126 Ca 0.06 -1.94 0.02 0.00 -0.15 0.00 0.00 54.97 52.96 2h3x s GLU 126 Cb -0.15 -1.35 -0.04 0.00 -0.44 0.00 0.00 34.13 32.15 2h3x s GLU 126 CO 0.03 -0.02 0.15 -1.17 0.95 0.00 0.00 175.26 175.21 2h3x s LEU 127 N -3.57 4.04 0.00 1.83 2.96 -1.26 -0.04 118.68 122.64 2h3x s LEU 127 Ca 0.33 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 2h3x s LEU 127 Cb 0.06 -2.67 0.00 0.00 0.50 0.00 0.00 46.19 44.08 2h3x s LEU 127 CO 0.15 0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.94 2h3x n GLY 128 N 0.16 0.08 0.00 7.98 0.00 0.13 -4.84 105.19 108.71 2h3x n GLY 128 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2h3x n GLY 128 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06