#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3k s ASP 2 N 0.00 4.41 0.00 0.00 -1.08 -1.26 -5.07 116.67 113.67 2h3k s ASP 2 Ca 0.00 1.49 0.00 0.00 -0.52 0.00 0.00 52.55 53.52 2h3k s ASP 2 Cb 0.00 -2.23 0.00 0.00 -1.46 0.00 0.00 42.92 39.23 2h3k s ASP 2 CO 0.00 -2.04 0.00 1.21 0.52 0.00 0.00 175.17 174.86 2h3k n GLU 3 N -3.50 3.87 -4.69 4.34 2.13 -1.26 -5.13 120.64 116.41 2h3k n GLU 3 Ca 0.07 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.64 2h3k n GLU 3 Cb 0.55 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.12 2h3k n GLU 3 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2h3k s SER 4 N -0.64 2.37 0.22 4.31 0.01 -1.26 -4.73 113.70 113.98 2h3k s SER 4 Ca 0.00 -0.48 -0.04 0.00 1.31 0.00 0.00 55.95 56.74 2h3k s SER 4 Cb 0.00 -0.21 0.21 0.00 0.21 0.00 0.00 66.02 66.23 2h3k s SER 4 CO 0.00 0.17 1.67 -0.07 0.41 0.00 0.00 173.24 175.41 2h3k h LEU 5 N 5.04 0.82 -1.37 2.44 4.07 -1.76 0.38 115.31 124.93 2h3k h LEU 5 Ca -0.41 -0.26 -0.02 0.00 0.08 0.00 0.00 57.88 57.27 2h3k h LEU 5 Cb 1.16 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 42.67 2h3k h LEU 5 CO 0.45 0.96 -0.07 0.50 -1.08 0.00 0.00 178.44 179.19 2h3k h LYS 6 N 0.74 0.00 0.00 1.13 3.64 -1.72 -1.49 116.57 118.86 2h3k h LYS 6 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2h3k h LYS 6 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2h3k h LYS 6 CO 0.04 0.07 -1.35 -3.47 -2.27 0.00 0.00 179.45 172.47 2h3k n ASP 7 N -3.21 0.75 -0.05 4.20 -0.08 -0.91 -4.41 116.55 112.84 2h3k n ASP 7 Ca 0.00 -0.50 -0.08 0.00 -1.51 0.00 0.00 54.79 52.71 2h3k n ASP 7 Cb 0.34 1.42 -0.14 0.00 2.34 0.00 0.00 41.12 45.07 2h3k n ASP 7 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2h3k n ALA 8 N -1.79 1.55 0.32 -1.67 0.00 0.13 -4.06 120.51 115.00 2h3k n ALA 8 Ca 0.00 -0.96 0.18 0.00 0.00 0.00 0.00 53.44 52.67 2h3k n ALA 8 Cb 0.39 -0.61 0.96 0.00 0.00 0.00 0.00 19.45 20.19 2h3k n ALA 8 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2h3k h ILE 9 N 0.00 0.05 -2.11 0.00 3.07 -1.48 -3.29 117.51 113.74 2h3k h ILE 9 Ca -0.37 0.00 -0.72 0.00 1.55 0.00 0.00 64.86 65.32 2h3k h ILE 9 Cb 2.05 0.80 -0.17 0.00 -0.27 0.00 0.00 36.82 39.23 2h3k h ILE 9 CO 0.06 0.00 1.33 -0.54 -1.05 0.00 0.00 178.15 177.95 2h3k s LYS 10 N -4.17 4.00 -0.09 0.16 -0.14 -1.26 -4.88 119.74 113.37 2h3k s LYS 10 Ca -0.04 -2.40 -0.24 0.00 -1.36 0.00 0.00 55.97 51.93 2h3k s LYS 10 Cb 0.11 -5.08 0.05 0.00 -1.68 0.00 0.00 37.83 31.24 2h3k s LYS 10 CO 0.35 -1.81 0.56 -0.51 -0.76 0.00 0.00 175.35 173.18 2h3k s ASP 11 N 3.07 -0.53 0.29 2.83 1.01 -1.24 -5.03 116.67 117.07 2h3k s ASP 11 Ca 0.42 0.69 0.14 0.00 0.71 0.00 0.00 52.55 54.50 2h3k s ASP 11 Cb -0.03 0.67 0.36 0.00 1.01 0.00 0.00 42.92 44.93 2h3k s ASP 11 CO -0.01 -0.45 1.59 1.55 0.21 0.00 0.00 175.17 178.05 2h3k h PRO 12 N 3.84 0.00 -0.00 8.23 0.13 -1.94 -2.98 132.00 139.28 2h3k h PRO 12 Ca -0.28 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.67 2h3k h PRO 12 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2h3k h PRO 12 CO 0.32 0.56 -0.81 0.00 -0.23 0.00 0.00 178.00 177.84 2h3k h ALA 13 N 1.44 0.63 -0.65 -0.56 0.00 -1.98 -3.12 119.26 115.00 2h3k h ALA 13 Ca -0.01 -0.70 -0.12 0.00 0.00 0.00 0.00 54.91 54.08 2h3k h ALA 13 Cb 1.15 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 2h3k h ALA 13 CO 0.07 0.92 0.15 1.28 0.00 0.00 0.00 179.25 181.68 2h3k n LEU 14 N -3.66 5.80 -4.49 0.00 4.77 -1.19 -4.61 117.00 113.62 2h3k n LEU 14 Ca -0.02 -2.99 -0.44 0.00 -0.03 0.00 0.00 56.01 52.53 2h3k n LEU 14 Cb 0.77 -0.72 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2h3k n LEU 14 CO 0.46 0.71 1.47 -0.70 -1.33 0.00 0.00 177.39 178.00 2h3k s GLU 15 N -2.80 3.97 -0.83 3.23 2.12 -1.13 0.23 118.70 123.48 2h3k s GLU 15 Ca 0.53 -2.25 -0.04 0.00 0.36 0.00 0.00 54.97 53.57 2h3k s GLU 15 Cb 0.41 -5.16 -0.05 0.00 0.26 0.00 0.00 34.13 29.60 2h3k s GLU 15 CO 0.14 -1.90 0.74 -1.71 -0.54 0.00 0.00 175.26 171.99 2h3k n ASN 16 N 6.56 -6.22 -4.93 -1.70 2.85 0.20 -4.90 115.26 107.13 2h3k n ASN 16 Ca 0.37 -0.47 -0.26 0.00 -0.11 0.00 0.00 54.58 54.11 2h3k n ASN 16 Cb 0.45 -4.57 0.05 0.00 1.24 0.00 0.00 39.78 36.95 2h3k n ASN 16 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2h3k s LYS 17 N -3.90 2.51 -0.99 1.20 2.20 -1.26 -4.96 119.74 114.54 2h3k s LYS 17 Ca 0.30 -0.17 -0.17 0.00 -0.36 0.00 0.00 55.97 55.57 2h3k s LYS 17 Cb -0.04 -2.22 0.15 0.00 -1.51 0.00 0.00 37.83 34.21 2h3k s LYS 17 CO 0.63 -1.00 1.16 -2.00 -0.36 0.00 0.00 175.35 173.79 2h3k s GLU 18 N -5.12 3.73 -0.50 4.03 2.12 -1.26 -4.85 118.70 116.85 2h3k s GLU 18 Ca 0.57 -2.07 -0.01 0.00 0.36 0.00 0.00 54.97 53.82 2h3k s GLU 18 Cb -0.11 -4.89 0.37 0.00 0.26 0.00 0.00 34.13 29.76 2h3k s GLU 18 CO 0.45 -1.70 2.00 -2.39 -0.54 0.00 0.00 175.26 173.07 2h3k n HIS 19 N 5.95 2.50 -2.25 5.30 1.44 -1.26 -4.36 115.22 122.54 2h3k n HIS 19 Ca 0.26 -2.48 -0.13 0.00 -2.01 0.00 0.00 57.72 53.36 2h3k n HIS 19 Cb 0.47 -1.20 0.04 0.00 0.12 0.00 0.00 29.99 29.43 2h3k n HIS 19 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2h3k n ASP 20 N -0.42 3.49 -4.38 4.39 2.03 -1.26 -5.03 116.55 115.37 2h3k n ASP 20 Ca 0.49 -3.17 -0.34 0.00 0.52 0.00 0.00 54.79 52.29 2h3k n ASP 20 Cb 0.70 -0.40 -0.14 0.00 -0.72 0.00 0.00 41.12 40.57 2h3k n ASP 20 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2h3k s ILE 21 N -4.05 3.38 0.00 5.18 1.01 -1.26 -5.00 121.20 120.45 2h3k s ILE 21 Ca 0.42 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.55 2h3k s ILE 21 Cb 0.38 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 40.37 2h3k s ILE 21 CO -0.00 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.02 2h3k n GLY 22 N 4.04 -0.67 3.75 6.18 0.00 -1.26 -5.02 105.19 112.21 2h3k n GLY 22 Ca -0.18 -2.16 -0.29 0.00 0.00 0.00 0.00 46.02 43.39 2h3k n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2h3k s PRO 23 N 0.00 1.19 -0.28 1.61 0.04 -1.26 -5.08 135.00 131.22 2h3k s PRO 23 Ca 0.00 0.54 -0.26 0.00 0.04 0.00 0.00 61.00 61.32 2h3k s PRO 23 Cb 0.00 -1.82 0.17 0.00 0.04 0.00 0.00 34.50 32.88 2h3k s PRO 23 CO 0.00 -2.21 1.28 -0.98 0.04 0.00 0.00 177.00 175.12 2h3k s ARG 24 N -5.10 0.24 0.37 4.56 1.70 -1.26 -4.60 118.95 114.86 2h3k s ARG 24 Ca 0.63 0.23 0.06 0.00 -0.47 0.00 0.00 55.73 56.18 2h3k s ARG 24 Cb -0.16 0.11 -0.03 0.00 -0.57 0.00 0.00 34.95 34.31 2h3k s ARG 24 CO 0.55 -0.04 0.22 -1.21 -1.08 0.00 0.00 175.30 173.75 2h3k s GLU 25 N -0.11 1.86 -0.04 3.89 2.02 0.37 -4.91 118.70 121.78 2h3k s GLU 25 Ca 0.06 -2.11 0.06 0.00 0.02 0.00 0.00 54.97 52.99 2h3k s GLU 25 Cb -0.04 -0.06 -0.01 0.00 0.10 0.00 0.00 34.13 34.12 2h3k s GLU 25 CO -0.11 -0.60 -0.21 1.14 0.02 0.00 0.00 175.26 175.50 2h3k s GLN 26 N -3.53 2.00 -0.09 1.61 -2.07 -1.26 -1.61 119.66 114.71 2h3k s GLN 26 Ca 0.33 -0.76 -0.06 0.00 -1.82 0.00 0.00 55.36 53.05 2h3k s GLN 26 Cb 0.02 -1.79 0.04 0.00 -1.09 0.00 0.00 33.01 30.19 2h3k s GLN 26 CO 0.22 0.37 0.22 0.08 -1.32 0.00 0.00 175.29 174.87 2h3k s VAL 27 N -0.23 -0.03 0.55 3.63 1.01 0.43 -4.85 120.40 120.90 2h3k s VAL 27 Ca 0.01 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 2h3k s VAL 27 Cb -0.11 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 35.94 2h3k s VAL 27 CO 0.01 0.04 0.83 0.21 0.00 0.00 0.00 175.10 176.19 2h3k s ASN 28 N 0.81 5.66 -0.01 3.32 2.47 -1.26 0.14 114.94 126.08 2h3k s ASN 28 Ca -0.06 0.56 0.03 0.00 0.42 0.00 0.00 52.86 53.82 2h3k s ASN 28 Cb -0.07 -1.63 -0.01 0.00 -1.45 0.00 0.00 41.25 38.09 2h3k s ASN 28 CO -0.05 -0.95 -0.10 0.72 -3.72 0.00 0.00 177.10 173.00 2h3k s PHE 29 N -2.85 0.93 -0.37 0.43 -0.12 -1.26 0.49 117.98 115.23 2h3k s PHE 29 Ca 0.52 -0.18 -0.17 0.00 -0.05 0.00 0.00 56.93 57.06 2h3k s PHE 29 Cb -0.10 -0.60 -0.00 0.00 -0.63 0.00 0.00 43.02 41.69 2h3k s PHE 29 CO 0.43 -0.02 0.42 -0.65 -0.05 0.00 0.00 175.22 175.35 2h3k s GLN 30 N -0.22 3.44 -0.20 1.99 1.11 0.63 -4.91 119.66 121.50 2h3k s GLN 30 Ca 0.04 -0.45 -0.24 0.00 0.01 0.00 0.00 55.36 54.72 2h3k s GLN 30 Cb -0.04 -3.85 -0.01 0.00 -1.01 0.00 0.00 33.01 28.09 2h3k s GLN 30 CO -0.00 -0.65 0.80 -0.51 0.01 0.00 0.00 175.29 174.93 2h3k s LEU 31 N 2.16 4.13 -0.06 2.90 1.43 -1.26 -1.51 118.68 126.46 2h3k s LEU 31 Ca 0.14 1.06 -0.03 0.00 -1.03 0.00 0.00 54.13 54.27 2h3k s LEU 31 Cb -0.16 -3.16 0.04 0.00 0.03 0.00 0.00 46.19 42.94 2h3k s LEU 31 CO 0.13 -0.43 0.11 -0.76 0.23 0.00 0.00 176.35 175.63 2h3k s LEU 32 N 2.41 0.03 0.00 1.79 1.43 -0.93 -3.41 118.68 119.99 2h3k s LEU 32 Ca 0.35 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 2h3k s LEU 32 Cb -0.16 0.08 0.00 0.00 0.03 0.00 0.00 46.19 46.14 2h3k s LEU 32 CO 0.10 -0.25 0.00 -0.90 0.23 0.00 0.00 176.35 175.53 2h3k n ASP 33 N 5.31 0.00 -1.58 2.29 5.75 -1.25 -1.88 116.55 125.19 2h3k n ASP 33 Ca -0.04 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.68 2h3k n ASP 33 Cb 0.50 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.76 2h3k n ASP 33 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2h3k n LYS 34 N 0.00 2.49 -0.62 0.11 0.00 -1.26 -3.87 118.16 115.01 2h3k n LYS 34 Ca 0.00 -1.88 0.00 0.00 -0.00 0.00 0.00 58.31 56.43 2h3k n LYS 34 Cb 0.00 -1.83 0.00 0.00 -0.00 0.00 0.00 35.03 33.20 2h3k n LYS 34 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2h3k n ASN 35 N -0.11 0.10 -2.33 -5.58 3.02 -1.26 -4.98 115.26 104.12 2h3k n ASN 35 Ca 0.28 -1.90 -0.13 0.00 -0.03 0.00 0.00 54.58 52.79 2h3k n ASN 35 Cb 1.05 -0.18 -0.01 0.00 -0.61 0.00 0.00 39.78 40.02 2h3k n ASN 35 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2h3k n ASN 36 N 0.06 -4.03 -4.58 6.41 5.15 -1.25 -4.90 115.26 112.12 2h3k n ASN 36 Ca 0.00 0.19 -0.42 0.00 -0.60 0.00 0.00 54.58 53.76 2h3k n ASN 36 Cb 0.73 -3.45 -0.07 0.00 -0.53 0.00 0.00 39.78 36.46 2h3k n ASN 36 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2h3k s GLU 37 N -4.83 3.72 0.08 1.20 0.41 -1.26 -4.94 118.70 113.08 2h3k s GLU 37 Ca 0.00 0.09 -0.31 0.00 -0.41 0.00 0.00 54.97 54.34 2h3k s GLU 37 Cb 0.00 -3.79 -0.08 0.00 -1.78 0.00 0.00 34.13 28.48 2h3k s GLU 37 CO 0.00 -0.69 1.47 0.99 -0.49 0.00 0.00 175.26 176.54 2h3k s THR 38 N 2.66 3.29 -0.26 3.63 2.01 -1.26 -3.97 115.64 121.74 2h3k s THR 38 Ca 0.24 0.83 -0.21 0.00 0.31 0.00 0.00 61.69 62.86 2h3k s THR 38 Cb -0.15 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.81 2h3k s THR 38 CO 0.14 0.03 0.65 -1.10 -0.69 0.00 0.00 174.62 173.65 2h3k s GLN 39 N 1.81 4.11 -0.61 4.92 -1.52 -1.22 -5.00 119.66 122.15 2h3k s GLN 39 Ca 0.67 0.58 0.05 0.00 -1.95 0.00 0.00 55.36 54.71 2h3k s GLN 39 Cb -0.37 -3.65 0.17 0.00 -0.22 0.00 0.00 33.01 28.94 2h3k s GLN 39 CO 0.30 -0.43 0.46 0.98 -0.25 0.00 0.00 175.29 176.34 2h3k n TYR 40 N 5.75 1.94 -5.02 0.91 4.19 -1.26 -4.92 117.16 118.75 2h3k n TYR 40 Ca 0.00 -3.99 -0.30 0.00 3.31 0.00 0.00 57.90 56.92 2h3k n TYR 40 Cb 0.49 -0.35 -0.15 0.00 0.49 0.00 0.00 39.34 39.82 2h3k n TYR 40 CO 0.00 0.00 0.00 -0.47 0.91 0.00 0.00 176.86 177.30 2h3k s TYR 41 N -1.02 2.22 -0.03 2.98 5.04 -1.26 -5.05 117.35 120.23 2h3k s TYR 41 Ca 0.28 -0.41 -0.21 0.00 -2.44 0.00 0.00 57.07 54.29 2h3k s TYR 41 Cb -0.01 -1.37 -0.14 0.00 0.35 0.00 0.00 41.96 40.79 2h3k s TYR 41 CO -0.18 0.05 0.90 0.45 -1.34 0.00 0.00 175.55 175.44 2h3k h HIS 42 N 5.11 -0.38 -0.85 4.97 3.86 -2.02 -3.38 115.15 122.46 2h3k h HIS 42 Ca -0.44 -0.01 -0.43 0.00 -1.16 0.00 0.00 60.37 58.33 2h3k h HIS 42 Cb 1.14 0.13 -0.07 0.00 1.06 0.00 0.00 27.41 29.67 2h3k h HIS 42 CO 0.45 -0.05 1.12 0.12 0.86 0.00 0.00 177.93 180.42 2h3k s PHE 43 N -3.77 2.13 0.21 2.45 2.19 -1.26 -4.92 117.98 115.02 2h3k s PHE 43 Ca -0.12 -0.04 0.03 0.00 0.33 0.00 0.00 56.93 57.14 2h3k s PHE 43 Cb 0.01 -4.32 -0.05 0.00 -1.31 0.00 0.00 43.02 37.35 2h3k s PHE 43 CO 0.42 -1.78 -0.01 0.12 1.83 0.00 0.00 175.22 175.80 2h3k s PHE 44 N 8.00 1.47 0.00 10.12 5.36 -1.26 -5.10 117.98 136.57 2h3k s PHE 44 Ca 0.60 -0.94 0.00 0.00 -0.96 0.00 0.00 56.93 55.64 2h3k s PHE 44 Cb -0.03 -0.84 0.00 0.00 -0.34 0.00 0.00 43.02 41.81 2h3k s PHE 44 CO -0.02 -0.07 0.55 -1.13 -1.46 0.00 0.00 175.22 173.08 2h3k n SER 45 N -0.37 0.00 -4.55 6.13 3.41 -1.26 -4.74 113.62 112.25 2h3k n SER 45 Ca -0.06 0.56 -0.33 0.00 -0.26 0.00 0.00 58.87 58.78 2h3k n SER 45 Cb 0.64 -0.10 0.12 0.00 -0.26 0.00 0.00 64.21 64.60 2h3k n SER 45 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2h3k n ILE 46 N -0.81 0.99 0.00 -1.33 -0.00 -1.26 -2.11 119.36 114.83 2h3k n ILE 46 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 62.75 62.54 2h3k n ILE 46 Cb 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 39.64 38.77 2h3k n ILE 46 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 2h3k n LYS 47 N -2.35 0.00 -3.00 0.38 0.00 -1.19 -4.86 118.16 107.15 2h3k n LYS 47 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 58.31 58.23 2h3k n LYS 47 Cb 0.52 -0.28 0.03 0.00 0.00 0.00 0.00 35.03 35.29 2h3k n LYS 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2h3k s ASP 48 N -4.72 5.45 0.66 3.14 1.11 -1.26 -5.09 116.67 115.96 2h3k s ASP 48 Ca 0.00 -0.55 -0.14 0.00 0.18 0.00 0.00 52.55 52.04 2h3k s ASP 48 Cb 0.00 -0.34 -0.00 0.00 1.07 0.00 0.00 42.92 43.64 2h3k s ASP 48 CO 0.00 -0.98 1.08 -2.16 1.18 0.00 0.00 175.17 174.29 2h3k s PRO 49 N -4.48 2.91 0.04 8.23 0.04 -1.26 -4.72 135.00 135.77 2h3k s PRO 49 Ca 0.57 1.24 -0.31 0.00 0.04 0.00 0.00 61.00 62.55 2h3k s PRO 49 Cb -0.09 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 2h3k s PRO 49 CO 0.35 -1.15 1.34 0.00 0.04 0.00 0.00 177.00 177.59 2h3k s ALA 50 N -2.55 3.54 0.37 8.56 0.00 0.38 -4.67 121.76 127.38 2h3k s ALA 50 Ca 0.64 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.53 2h3k s ALA 50 Cb -0.18 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 2h3k s ALA 50 CO 0.44 -0.71 0.58 -0.51 0.00 0.00 0.00 175.76 175.56 2h3k s ASP 51 N 1.44 6.24 -0.11 0.00 1.01 0.22 0.16 116.67 125.63 2h3k s ASP 51 Ca 0.62 0.46 0.04 0.00 0.71 0.00 0.00 52.55 54.38 2h3k s ASP 51 Cb -0.32 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 41.62 2h3k s ASP 51 CO 0.28 -0.36 -0.24 -0.69 0.21 0.00 0.00 175.17 174.37 2h3k s VAL 52 N -2.37 2.07 -0.68 -1.27 1.01 -0.63 0.15 120.40 118.69 2h3k s VAL 52 Ca 0.41 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 2h3k s VAL 52 Cb -0.10 -1.79 0.18 0.00 0.00 0.00 0.00 36.38 34.67 2h3k s VAL 52 CO 0.37 0.56 0.55 -0.31 0.00 0.00 0.00 175.10 176.26 2h3k s TYR 53 N 0.42 3.54 -0.23 5.22 1.51 0.17 -0.48 117.35 127.50 2h3k s TYR 53 Ca -0.17 -2.32 -0.29 0.00 -1.01 0.00 0.00 57.07 53.28 2h3k s TYR 53 Cb -0.18 -3.47 -0.02 0.00 -0.11 0.00 0.00 41.96 38.18 2h3k s TYR 53 CO 0.07 -0.92 1.48 0.71 -1.11 0.00 0.00 175.55 175.78 2h3k s TYR 54 N 0.23 2.36 0.00 2.71 2.02 -1.26 -1.68 117.35 121.73 2h3k s TYR 54 Ca 0.16 0.67 0.00 0.00 -0.37 0.00 0.00 57.07 57.53 2h3k s TYR 54 Cb -0.17 -3.90 0.00 0.00 -0.40 0.00 0.00 41.96 37.48 2h3k s TYR 54 CO -0.05 -2.48 0.00 0.25 -1.57 0.00 0.00 175.55 171.70 2h3k n THR 55 N 6.17 0.00 0.43 -0.71 -2.24 -1.24 -4.64 114.28 112.05 2h3k n THR 55 Ca 0.17 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.07 2h3k n THR 55 Cb 0.45 -0.70 0.16 0.00 -2.10 0.00 0.00 70.33 68.14 2h3k n THR 55 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2h3k h LYS 56 N 0.00 0.00 0.00 -0.78 2.10 -1.94 -3.41 116.57 112.54 2h3k h LYS 56 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2h3k h LYS 56 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2h3k h LYS 56 CO 0.00 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.08 2h3k n LYS 57 N -2.37 0.00 -4.35 0.07 5.02 -1.26 -4.89 118.16 110.39 2h3k n LYS 57 Ca 0.03 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.12 2h3k n LYS 57 Cb 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.38 2h3k n LYS 57 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2h3k s LYS 58 N 0.00 1.34 0.99 1.97 2.47 -1.26 -4.87 119.74 120.38 2h3k s LYS 58 Ca 0.00 -1.57 -0.12 0.00 -1.56 0.00 0.00 55.97 52.73 2h3k s LYS 58 Cb 0.00 -1.20 0.18 0.00 -1.46 0.00 0.00 37.83 35.36 2h3k s LYS 58 CO 0.00 0.21 1.08 0.00 0.16 0.00 0.00 175.35 176.80 2h3k s ALA 59 N -2.77 0.89 -0.31 3.13 0.00 -1.26 -3.66 121.76 117.78 2h3k s ALA 59 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 2h3k s ALA 59 Cb -0.02 -3.21 0.13 0.00 0.00 0.00 0.00 23.12 20.01 2h3k s ALA 59 CO 0.07 -2.89 0.24 -1.21 0.00 0.00 0.00 175.76 171.97 2h3k s GLU 60 N -4.79 0.35 0.31 0.00 2.02 -0.67 -3.51 118.70 112.40 2h3k s GLU 60 Ca 0.65 -0.52 -0.28 0.00 0.02 0.00 0.00 54.97 54.84 2h3k s GLU 60 Cb -0.20 -0.92 -0.10 0.00 0.10 0.00 0.00 34.13 33.01 2h3k s GLU 60 CO 0.59 -1.07 1.15 0.08 0.02 0.00 0.00 175.26 176.03 2h3k s VAL 61 N 1.99 3.28 0.03 2.63 1.01 -0.72 0.43 120.40 129.05 2h3k s VAL 61 Ca 0.11 1.24 0.07 0.00 0.00 0.00 0.00 61.98 63.40 2h3k s VAL 61 Cb -0.16 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 2h3k s VAL 61 CO -0.26 0.26 -0.20 -0.70 0.00 0.00 0.00 175.10 174.20 2h3k s GLU 62 N -1.70 1.40 -0.03 2.72 -6.30 0.41 -2.10 118.70 113.09 2h3k s GLU 62 Ca 0.48 -0.87 0.03 0.00 -2.50 0.00 0.00 54.97 52.11 2h3k s GLU 62 Cb -0.33 -1.47 -0.00 0.00 0.00 0.00 0.00 34.13 32.33 2h3k s GLU 62 CO 0.43 0.38 -0.12 -0.51 0.02 0.00 0.00 175.26 175.46 2h3k s LEU 63 N -1.02 1.87 -0.31 2.70 1.43 -0.68 -0.61 118.68 122.06 2h3k s LEU 63 Ca 0.07 -0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 52.77 2h3k s LEU 63 Cb -0.08 -0.67 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 2h3k s LEU 63 CO 0.01 0.11 0.42 -0.62 0.23 0.00 0.00 176.35 176.50 2h3k s ASP 64 N 0.04 6.26 0.08 2.29 2.15 -1.26 -3.08 116.67 123.15 2h3k s ASP 64 Ca -0.01 0.06 -0.02 0.00 0.43 0.00 0.00 52.55 53.01 2h3k s ASP 64 Cb -0.08 -2.23 -0.04 0.00 -0.30 0.00 0.00 42.92 40.26 2h3k s ASP 64 CO 0.01 -0.32 0.25 -0.63 -0.17 0.00 0.00 175.17 174.31 2h3k s ILE 65 N 2.16 5.33 -0.15 4.11 1.09 -0.83 -3.17 121.20 129.75 2h3k s ILE 65 Ca 0.15 -0.25 0.09 0.00 -1.10 0.00 0.00 60.65 59.54 2h3k s ILE 65 Cb -0.16 -3.62 -0.16 0.00 -1.06 0.00 0.00 42.46 37.46 2h3k s ILE 65 CO 0.11 0.13 -0.01 -3.20 -0.10 0.00 0.00 174.94 171.88 2h3k n ASN 66 N 0.30 1.88 -3.60 3.58 2.85 -0.90 -2.49 115.26 116.89 2h3k n ASN 66 Ca -0.05 -0.03 -0.38 0.00 -0.11 0.00 0.00 54.58 54.01 2h3k n ASN 66 Cb 0.51 0.54 0.00 0.00 1.24 0.00 0.00 39.78 42.08 2h3k n ASN 66 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2h3k n THR 67 N -2.64 5.16 0.29 -0.44 -2.24 -1.26 -4.12 114.28 109.03 2h3k n THR 67 Ca -0.25 -5.86 0.14 0.00 -2.27 0.00 0.00 64.05 55.82 2h3k n THR 67 Cb 0.92 -1.70 0.66 0.00 -2.10 0.00 0.00 70.33 68.11 2h3k n THR 67 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h3k h ALA 68 N 4.31 1.00 -0.00 6.98 0.00 -1.83 -1.50 119.26 128.22 2h3k h ALA 68 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2h3k h ALA 68 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2h3k h ALA 68 CO 1.14 0.00 -0.05 -1.13 0.00 0.00 0.00 179.25 179.21 2h3k n SER 69 N -2.49 0.48 -0.08 0.00 3.41 -1.26 -3.86 113.62 109.82 2h3k n SER 69 Ca -0.00 -0.85 -0.10 0.00 -0.26 0.00 0.00 58.87 57.66 2h3k n SER 69 Cb 0.15 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 2h3k n SER 69 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2h3k n THR 70 N -0.78 1.00 -0.45 6.66 -2.24 -0.57 -4.97 114.28 112.92 2h3k n THR 70 Ca 0.18 -0.49 -0.29 0.00 -2.27 0.00 0.00 64.05 61.18 2h3k n THR 70 Cb 0.24 -0.89 0.25 0.00 -2.10 0.00 0.00 70.33 67.83 2h3k n THR 70 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2h3k n TRP 71 N -2.78 -1.97 0.08 4.78 7.02 -1.21 -2.24 117.44 121.13 2h3k n TRP 71 Ca -0.27 -0.26 0.00 0.00 -1.02 0.00 0.00 57.50 55.94 2h3k n TRP 71 Cb 0.90 -1.57 0.00 0.00 -2.42 0.00 0.00 31.31 28.22 2h3k n TRP 71 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 2h3k n LYS 72 N -4.53 0.00 -4.42 -0.99 3.00 -1.26 -4.17 118.16 105.80 2h3k n LYS 72 Ca 0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.05 2h3k n LYS 72 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.54 2h3k n LYS 72 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2h3k s LYS 73 N -1.41 2.22 -0.30 1.64 1.02 -1.26 -2.16 119.74 119.50 2h3k s LYS 73 Ca 0.00 -2.26 -0.12 0.00 0.02 0.00 0.00 55.97 53.60 2h3k s LYS 73 Cb 0.00 -1.75 0.18 0.00 -0.52 0.00 0.00 37.83 35.74 2h3k s LYS 73 CO 0.00 -0.48 1.06 0.12 -0.92 0.00 0.00 175.35 175.13 2h3k s PHE 74 N -2.84 -0.48 -0.47 3.18 2.19 -1.21 -4.19 117.98 114.15 2h3k s PHE 74 Ca 0.16 0.41 0.04 0.00 0.33 0.00 0.00 56.93 57.87 2h3k s PHE 74 Cb -0.00 0.13 0.17 0.00 -1.31 0.00 0.00 43.02 42.00 2h3k s PHE 74 CO 0.10 -0.27 0.36 -2.00 1.83 0.00 0.00 175.22 175.24 2h3k s GLU 75 N 2.96 1.25 0.48 10.12 2.56 0.22 -4.30 118.70 131.99 2h3k s GLU 75 Ca 0.10 -2.34 -0.22 0.00 0.00 0.00 0.00 54.97 52.52 2h3k s GLU 75 Cb -0.07 -1.90 -0.07 0.00 2.00 0.00 0.00 34.13 34.09 2h3k s GLU 75 CO -0.16 -1.34 1.12 0.54 -0.56 0.00 0.00 175.26 174.86 2h3k s VAL 76 N -0.21 3.32 0.01 3.70 0.11 -1.25 -3.23 120.40 122.86 2h3k s VAL 76 Ca 0.29 0.92 -0.10 0.00 -2.93 0.00 0.00 61.98 60.16 2h3k s VAL 76 Cb -0.01 -3.43 0.01 0.00 -1.53 0.00 0.00 36.38 31.42 2h3k s VAL 76 CO -0.17 -0.08 0.19 -0.72 -3.33 0.00 0.00 175.10 170.99 2h3k s TYR 77 N -1.69 0.01 -0.03 1.54 -0.85 -0.40 -0.84 117.35 115.09 2h3k s TYR 77 Ca 0.66 -0.12 -0.05 0.00 -0.52 0.00 0.00 57.07 57.04 2h3k s TYR 77 Cb -0.24 -0.02 0.01 0.00 0.38 0.00 0.00 41.96 42.09 2h3k s TYR 77 CO 0.29 -0.36 0.12 -1.83 -1.52 0.00 0.00 175.55 172.24 2h3k s GLU 78 N -1.85 0.24 1.16 -3.49 4.04 -0.97 0.51 118.70 118.33 2h3k s GLU 78 Ca -0.11 -0.02 0.00 0.00 0.04 0.00 0.00 54.97 54.88 2h3k s GLU 78 Cb -0.05 0.10 0.00 0.00 0.02 0.00 0.00 34.13 34.21 2h3k s GLU 78 CO -0.00 -0.04 0.00 -1.71 -1.84 0.00 0.00 175.26 171.67 2h3k n ASN 79 N 2.54 0.00 -2.95 0.83 2.85 -1.26 -2.65 115.26 114.62 2h3k n ASN 79 Ca -0.16 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.17 2h3k n ASN 79 Cb 0.58 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.62 2h3k n ASN 79 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2h3k n ASN 80 N 2.10 -1.13 -3.64 1.20 2.85 -1.26 -5.10 115.26 110.29 2h3k n ASN 80 Ca 0.00 -3.24 0.00 0.00 -0.11 0.00 0.00 54.58 51.24 2h3k n ASN 80 Cb 0.00 0.73 -0.06 0.00 1.24 0.00 0.00 39.78 41.69 2h3k n ASN 80 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2h3k s GLN 81 N -0.65 0.20 -0.49 1.20 0.74 -1.09 -5.12 119.66 114.46 2h3k s GLN 81 Ca 0.32 0.35 -0.18 0.00 0.05 0.00 0.00 55.36 55.89 2h3k s GLN 81 Cb 0.27 0.05 0.06 0.00 1.10 0.00 0.00 33.01 34.49 2h3k s GLN 81 CO -0.11 -0.04 0.56 0.21 -0.55 0.00 0.00 175.29 175.36 2h3k s LYS 82 N 1.22 3.09 -0.13 1.67 2.47 -1.26 -2.29 119.74 124.50 2h3k s LYS 82 Ca -0.08 -0.99 -0.29 0.00 -1.56 0.00 0.00 55.97 53.04 2h3k s LYS 82 Cb -0.03 -4.10 -0.02 0.00 -1.46 0.00 0.00 37.83 32.23 2h3k s LYS 82 CO -0.12 -1.16 1.17 -0.51 0.16 0.00 0.00 175.35 174.89 2h3k s LEU 83 N 2.38 4.21 -0.61 5.43 1.43 -0.02 -4.96 118.68 126.54 2h3k s LEU 83 Ca 0.12 1.66 -0.27 0.00 -1.03 0.00 0.00 54.13 54.61 2h3k s LEU 83 Cb -0.20 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.48 2h3k s LEU 83 CO 0.11 -0.65 1.51 -2.16 0.23 0.00 0.00 176.35 175.39 2h3k s PRO 84 N 2.86 3.10 0.43 1.29 0.04 -1.26 -3.75 135.00 137.72 2h3k s PRO 84 Ca 0.52 0.36 -0.24 0.00 0.04 0.00 0.00 61.00 61.69 2h3k s PRO 84 Cb -0.21 -4.21 -0.08 0.00 0.04 0.00 0.00 34.50 30.04 2h3k s PRO 84 CO 0.16 -2.19 1.13 0.54 0.04 0.00 0.00 177.00 176.68 2h3k s VAL 85 N 6.79 3.30 0.12 -0.36 0.11 -1.26 -4.94 120.40 124.16 2h3k s VAL 85 Ca 0.53 1.00 0.01 0.00 -2.93 0.00 0.00 61.98 60.59 2h3k s VAL 85 Cb -0.11 -3.52 -0.00 0.00 -1.53 0.00 0.00 36.38 31.21 2h3k s VAL 85 CO 0.22 0.01 0.03 -2.11 -3.33 0.00 0.00 175.10 169.93 2h3k n ARG 86 N -0.25 0.99 -4.99 1.54 0.00 -1.23 -4.87 116.66 107.86 2h3k n ARG 86 Ca 0.06 -1.01 -0.28 0.00 -0.00 0.00 0.00 57.85 56.62 2h3k n ARG 86 Cb 0.48 0.49 -0.16 0.00 -0.00 0.00 0.00 32.46 33.28 2h3k n ARG 86 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2h3k s LEU 87 N 0.00 1.98 -0.14 2.89 0.20 -1.26 -3.09 118.68 119.26 2h3k s LEU 87 Ca 0.05 -0.40 0.10 0.00 0.69 0.00 0.00 54.13 54.57 2h3k s LEU 87 Cb 0.00 -1.10 -0.15 0.00 -0.43 0.00 0.00 46.19 44.51 2h3k s LEU 87 CO 0.03 0.20 0.01 1.33 -0.29 0.00 0.00 176.35 177.63 2h3k n VAL 88 N 2.98 0.92 -3.58 1.68 0.24 -0.57 -4.99 118.33 115.00 2h3k n VAL 88 Ca -0.17 -0.53 -0.17 0.00 -2.04 0.00 0.00 64.34 61.44 2h3k n VAL 88 Cb 0.53 -0.73 -0.07 0.00 -1.47 0.00 0.00 33.84 32.10 2h3k n VAL 88 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2h3k s SER 89 N -4.82 -0.53 -0.15 -1.34 1.04 -1.22 -4.71 113.70 101.97 2h3k s SER 89 Ca -0.10 0.52 -0.07 0.00 0.48 0.00 0.00 55.95 56.79 2h3k s SER 89 Cb 0.04 0.48 0.06 0.00 0.10 0.00 0.00 66.02 66.70 2h3k s SER 89 CO 0.51 -0.58 0.35 -0.47 0.98 0.00 0.00 173.24 174.04 2h3k s TYR 90 N -1.31 -0.54 0.52 5.02 5.04 0.13 0.53 117.35 126.75 2h3k s TYR 90 Ca -0.11 1.15 -0.18 0.00 -2.44 0.00 0.00 57.07 55.49 2h3k s TYR 90 Cb -0.01 0.17 -0.07 0.00 0.35 0.00 0.00 41.96 42.40 2h3k s TYR 90 CO 0.08 -0.34 1.04 -1.12 -1.34 0.00 0.00 175.55 173.87 2h3k s SER 91 N 1.71 6.20 0.91 4.32 0.01 0.31 -0.63 113.70 126.53 2h3k s SER 91 Ca -0.07 1.85 -0.11 0.00 1.31 0.00 0.00 55.95 58.93 2h3k s SER 91 Cb -0.10 -2.55 0.14 0.00 0.21 0.00 0.00 66.02 63.72 2h3k s SER 91 CO -0.11 -0.88 1.09 -2.16 0.41 0.00 0.00 173.24 171.59 2h3k s PRO 92 N -3.58 1.11 0.15 12.44 0.04 -1.26 -3.66 135.00 140.24 2h3k s PRO 92 Ca 0.65 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.49 2h3k s PRO 92 Cb -0.15 -1.78 0.16 0.00 0.04 0.00 0.00 34.50 32.76 2h3k s PRO 92 CO 0.26 -2.37 1.03 0.28 0.04 0.00 0.00 177.00 176.25 2h3k n VAL 93 N -3.98 -0.35 -0.16 -0.36 0.31 -1.26 0.14 118.33 112.67 2h3k n VAL 93 Ca 0.07 1.56 0.07 0.00 -0.01 0.00 0.00 64.34 66.03 2h3k n VAL 93 Cb 0.55 -2.06 0.37 0.00 -0.91 0.00 0.00 33.84 31.79 2h3k n VAL 93 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2h3k h PRO 94 N 0.00 0.69 0.05 5.55 0.13 -2.04 -1.97 132.00 134.41 2h3k h PRO 94 Ca 0.23 -0.04 -0.30 0.00 -0.87 0.00 0.00 66.00 65.02 2h3k h PRO 94 Cb 0.40 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 31.34 2h3k h PRO 94 CO -0.66 0.46 -1.64 0.93 -0.23 0.00 0.00 178.00 176.85 2h3k h GLU 95 N 0.71 0.11 -6.12 0.86 5.08 0.63 -3.49 114.58 112.34 2h3k h GLU 95 Ca 0.29 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.33 2h3k h GLU 95 Cb 0.25 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.57 2h3k h GLU 95 CO -0.09 0.82 -1.01 -3.47 -1.00 0.00 0.00 179.01 174.25 2h3k n ASP 96 N -3.25 -6.57 -3.48 1.42 -0.08 0.36 -4.92 116.55 100.04 2h3k n ASP 96 Ca -0.18 0.36 0.01 0.00 -1.51 0.00 0.00 54.79 53.47 2h3k n ASP 96 Cb 1.04 -2.64 -0.03 0.00 2.34 0.00 0.00 41.12 41.83 2h3k n ASP 96 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2h3k s HIS 97 N -1.48 -1.22 -0.16 -0.67 3.76 -1.24 -4.46 115.29 109.82 2h3k s HIS 97 Ca 0.18 1.89 -0.02 0.00 -0.15 0.00 0.00 55.06 56.95 2h3k s HIS 97 Cb -0.02 0.65 -0.02 0.00 1.11 0.00 0.00 32.58 34.30 2h3k s HIS 97 CO 0.53 -0.62 -0.07 0.00 -0.85 0.00 0.00 174.74 173.73 2h3k s ALA 98 N 2.80 2.82 -0.23 -1.40 0.00 -1.04 0.12 121.76 124.83 2h3k s ALA 98 Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 2h3k s ALA 98 Cb -0.11 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 2h3k s ALA 98 CO -0.19 0.11 0.10 0.71 0.00 0.00 0.00 175.76 176.50 2h3k s TYR 99 N 0.56 3.20 0.32 0.00 2.02 0.19 -1.97 117.35 121.67 2h3k s TYR 99 Ca -0.05 -0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.63 2h3k s TYR 99 Cb -0.15 -2.21 -0.05 0.00 -0.40 0.00 0.00 41.96 39.15 2h3k s TYR 99 CO 0.03 -0.08 0.09 0.96 -1.57 0.00 0.00 175.55 174.98 2h3k s ILE 100 N 1.12 0.84 -0.18 2.71 -5.25 -1.18 -1.50 121.20 117.76 2h3k s ILE 100 Ca 0.05 -2.00 -0.30 0.00 -0.99 0.00 0.00 60.65 57.42 2h3k s ILE 100 Cb -0.14 -2.65 0.13 0.00 2.95 0.00 0.00 42.46 42.75 2h3k s ILE 100 CO 0.04 0.00 1.04 0.00 -1.79 0.00 0.00 174.94 174.23 2h3k s ARG 101 N -3.90 0.53 0.16 0.37 1.70 -1.18 -1.69 118.95 114.94 2h3k s ARG 101 Ca 0.35 0.15 0.03 0.00 -0.47 0.00 0.00 55.73 55.79 2h3k s ARG 101 Cb 0.07 0.25 -0.05 0.00 -0.57 0.00 0.00 34.95 34.65 2h3k s ARG 101 CO 0.15 -0.16 -0.04 -0.59 -1.08 0.00 0.00 175.30 173.58 2h3k s PHE 102 N -1.01 1.20 0.84 5.89 -0.71 -0.89 -3.56 117.98 119.73 2h3k s PHE 102 Ca -0.00 -0.92 -0.12 0.00 -1.04 0.00 0.00 56.93 54.85 2h3k s PHE 102 Cb -0.01 -0.67 0.09 0.00 -1.21 0.00 0.00 43.02 41.23 2h3k s PHE 102 CO 0.00 -0.11 1.10 -1.25 -1.34 0.00 0.00 175.22 173.62 2h3k s PRO 103 N -3.85 1.74 -0.32 1.99 0.04 -1.26 -1.75 135.00 131.60 2h3k s PRO 103 Ca 0.20 0.64 0.03 0.00 0.04 0.00 0.00 61.00 61.91 2h3k s PRO 103 Cb 0.05 -1.88 0.16 0.00 0.04 0.00 0.00 34.50 32.87 2h3k s PRO 103 CO 0.02 -1.86 0.43 0.14 0.04 0.00 0.00 177.00 175.77 2h3k s VAL 104 N -3.11 -0.63 0.38 -0.36 -7.23 -1.23 -4.84 120.40 103.37 2h3k s VAL 104 Ca 0.62 -0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 2h3k s VAL 104 Cb -0.15 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 2h3k s VAL 104 CO 0.55 -0.30 0.59 -0.55 -0.31 0.00 0.00 175.10 175.08 2h3k s SER 105 N 2.29 6.19 -1.48 4.85 0.15 -1.26 -4.25 113.70 120.20 2h3k s SER 105 Ca 0.12 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.22 2h3k s SER 105 Cb -0.12 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 2h3k s SER 105 CO -0.23 -0.41 0.00 -0.67 1.20 0.00 0.00 173.24 173.13 2h3k n ASP 106 N -1.89 -4.69 -1.94 5.45 -0.08 -1.26 -2.23 116.55 109.92 2h3k n ASP 106 Ca -0.03 0.26 -0.17 0.00 -1.51 0.00 0.00 54.79 53.33 2h3k n ASP 106 Cb 0.56 -3.58 -0.01 0.00 2.34 0.00 0.00 41.12 40.43 2h3k n ASP 106 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2h3k n GLY 107 N -1.13 -0.18 3.19 0.27 0.00 -1.23 -4.83 105.19 101.29 2h3k n GLY 107 Ca -0.15 -0.15 -0.56 0.00 0.00 0.00 0.00 46.02 45.15 2h3k n GLY 107 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2h3k n THR 108 N -3.89 0.00 -0.52 2.61 -1.04 -0.95 -2.51 114.28 107.98 2h3k n THR 108 Ca -0.20 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.83 2h3k n THR 108 Cb 0.65 -0.23 0.03 0.00 -1.82 0.00 0.00 70.33 68.96 2h3k n THR 108 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2h3k n GLN 109 N 2.48 1.96 -3.59 -2.82 0.00 -1.26 -2.52 117.38 111.63 2h3k n GLN 109 Ca 0.23 -1.57 -0.02 0.00 -0.00 0.00 0.00 57.00 55.63 2h3k n GLN 109 Cb 0.01 -1.01 -0.05 0.00 0.00 0.00 0.00 30.24 29.18 2h3k n GLN 109 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2h3k s GLU 110 N -1.23 0.51 0.04 3.69 2.12 -1.26 0.72 118.70 123.28 2h3k s GLU 110 Ca 0.07 1.06 -0.00 0.00 0.36 0.00 0.00 54.97 56.46 2h3k s GLU 110 Cb 0.07 0.40 -0.03 0.00 0.26 0.00 0.00 34.13 34.83 2h3k s GLU 110 CO 0.01 -0.14 -0.03 -0.48 -0.54 0.00 0.00 175.26 174.08 2h3k s LEU 111 N 2.11 2.37 -0.52 2.70 2.34 -0.98 -4.79 118.68 121.91 2h3k s LEU 111 Ca -0.07 -0.77 -0.18 0.00 0.06 0.00 0.00 54.13 53.17 2h3k s LEU 111 Cb -0.07 0.13 0.08 0.00 -0.56 0.00 0.00 46.19 45.77 2h3k s LEU 111 CO -0.18 -0.45 0.57 -0.54 -1.06 0.00 0.00 176.35 174.69 2h3k s LYS 112 N -2.77 3.05 0.32 1.48 3.01 0.18 -1.61 119.74 123.41 2h3k s LYS 112 Ca -0.03 -1.19 -0.28 0.00 -1.01 0.00 0.00 55.97 53.46 2h3k s LYS 112 Cb -0.01 -4.16 -0.10 0.00 -1.01 0.00 0.00 37.83 32.55 2h3k s LYS 112 CO -0.05 -1.25 1.17 0.42 0.51 0.00 0.00 175.35 176.14 2h3k s ILE 113 N 2.28 3.21 -0.19 2.17 1.01 0.33 -1.27 121.20 128.74 2h3k s ILE 113 Ca 0.10 1.16 0.00 0.00 0.00 0.00 0.00 60.65 61.92 2h3k s ILE 113 Cb -0.23 -3.72 0.04 0.00 0.01 0.00 0.00 42.46 38.57 2h3k s ILE 113 CO 0.08 0.24 -0.08 -0.69 0.00 0.00 0.00 174.94 174.49 2h3k s VAL 114 N -1.23 1.43 0.37 2.92 1.01 -1.20 -2.15 120.40 121.55 2h3k s VAL 114 Ca 0.49 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 2h3k s VAL 114 Cb -0.33 -1.55 0.04 0.00 0.00 0.00 0.00 36.38 34.54 2h3k s VAL 114 CO 0.43 0.14 0.73 -0.44 0.00 0.00 0.00 175.10 175.96 2h3k s SER 115 N 1.49 0.17 -0.35 3.32 0.01 -1.03 0.73 113.70 118.03 2h3k s SER 115 Ca -0.01 -1.19 0.05 0.00 1.31 0.00 0.00 55.95 56.11 2h3k s SER 115 Cb -0.16 0.81 0.17 0.00 0.21 0.00 0.00 66.02 67.05 2h3k s SER 115 CO -0.08 -1.60 0.50 -0.94 0.41 0.00 0.00 173.24 171.53 2h3k s SER 116 N -3.10 -0.33 0.25 2.44 1.04 -1.26 0.13 113.70 112.87 2h3k s SER 116 Ca 0.18 -0.74 -0.23 0.00 0.48 0.00 0.00 55.95 55.63 2h3k s SER 116 Cb -0.04 1.38 -0.09 0.00 0.10 0.00 0.00 66.02 67.37 2h3k s SER 116 CO 0.13 -0.26 0.82 0.42 0.98 0.00 0.00 173.24 175.33 2h3k s THR 117 N 2.07 4.38 -0.42 2.02 -4.23 -0.69 -3.98 115.64 114.80 2h3k s THR 117 Ca 0.14 1.59 0.02 0.00 -1.18 0.00 0.00 61.69 62.25 2h3k s THR 117 Cb -0.10 -3.98 0.13 0.00 1.34 0.00 0.00 72.50 69.89 2h3k s THR 117 CO -0.15 0.26 0.23 -1.58 -0.54 0.00 0.00 174.62 172.83 2h3k s GLN 118 N -1.81 1.13 0.15 3.99 0.74 -0.95 -2.20 119.66 120.70 2h3k s GLN 118 Ca 0.44 -1.84 0.23 0.00 0.05 0.00 0.00 55.36 54.24 2h3k s GLN 118 Cb -0.19 -2.14 0.89 0.00 1.10 0.00 0.00 33.01 32.67 2h3k s GLN 118 CO 0.23 -1.16 1.70 -0.89 -0.55 0.00 0.00 175.29 174.62 2h3k n ILE 119 N 3.70 0.71 -3.74 -2.34 -0.00 -1.26 -4.90 119.36 111.52 2h3k n ILE 119 Ca 0.09 0.09 -0.24 0.00 -0.00 0.00 0.00 62.75 62.69 2h3k n ILE 119 Cb 0.35 -0.91 0.03 0.00 -0.00 0.00 0.00 39.64 39.12 2h3k n ILE 119 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2h3k n ASP 120 N -1.97 -2.32 0.00 4.38 8.00 -1.26 -4.86 116.55 118.52 2h3k n ASP 120 Ca 0.04 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.75 2h3k n ASP 120 Cb 0.27 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.29 2h3k n ASP 120 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2h3k n ASP 121 N -3.00 2.84 0.04 -2.24 -0.08 -1.26 -5.04 116.55 107.81 2h3k n ASP 121 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 2h3k n ASP 121 Cb 0.63 0.05 0.00 0.00 2.34 0.00 0.00 41.12 44.14 2h3k n ASP 121 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2h3k n GLY 122 N 2.78 -0.57 3.07 0.27 0.00 -1.26 -5.14 105.19 104.34 2h3k n GLY 122 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 2h3k n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h3k s GLU 123 N -1.24 0.55 0.19 1.61 2.12 -1.26 -5.13 118.70 115.54 2h3k s GLU 123 Ca 0.00 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.26 2h3k s GLU 123 Cb 0.00 -0.33 -0.08 0.00 0.26 0.00 0.00 34.13 33.98 2h3k s GLU 123 CO 0.00 0.06 1.09 -2.00 -0.54 0.00 0.00 175.26 173.87 2h3k s GLU 124 N -1.59 4.61 -0.83 4.30 2.12 -1.26 -4.75 118.70 121.30 2h3k s GLU 124 Ca -0.09 1.71 -0.09 0.00 0.36 0.00 0.00 54.97 56.85 2h3k s GLU 124 Cb -0.10 -3.27 0.21 0.00 0.26 0.00 0.00 34.13 31.23 2h3k s GLU 124 CO 0.01 0.11 0.74 0.99 -0.54 0.00 0.00 175.26 176.56 2h3k s THR 125 N -0.35 5.06 -0.30 -1.70 2.01 -0.94 -5.03 115.64 114.40 2h3k s THR 125 Ca 0.48 -2.90 -0.23 0.00 0.31 0.00 0.00 61.69 59.36 2h3k s THR 125 Cb -0.29 -4.14 -0.00 0.00 0.01 0.00 0.00 72.50 68.07 2h3k s THR 125 CO 0.35 -1.02 0.76 0.21 -0.69 0.00 0.00 174.62 174.23 2h3k s ASN 126 N 1.40 6.65 -1.27 3.53 3.84 -1.26 -1.71 114.94 126.12 2h3k s ASN 126 Ca 0.21 0.67 -0.06 0.00 0.21 0.00 0.00 52.86 53.88 2h3k s ASN 126 Cb -0.12 -2.39 0.06 0.00 -0.55 0.00 0.00 41.25 38.24 2h3k s ASN 126 CO -0.08 -0.57 2.58 -1.22 -2.79 0.00 0.00 177.10 175.02 2h3k n TYR 127 N 6.10 2.39 -0.25 0.43 4.02 0.34 -4.73 117.16 125.47 2h3k n TYR 127 Ca 0.03 -2.76 0.06 0.00 -0.01 0.00 0.00 57.90 55.22 2h3k n TYR 127 Cb 0.48 -1.93 0.19 0.00 -0.02 0.00 0.00 39.34 38.07 2h3k n TYR 127 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 2h3k h ASP 128 N 4.49 0.06 -3.15 7.72 1.82 -1.87 -2.75 116.42 122.74 2h3k h ASP 128 Ca 0.70 0.14 -0.44 0.00 -0.39 0.00 0.00 57.03 57.04 2h3k h ASP 128 Cb 0.37 0.18 -0.40 0.00 0.68 0.00 0.00 39.33 40.16 2h3k h ASP 128 CO 1.45 -0.02 -0.75 -0.47 -1.61 0.00 0.00 179.24 177.84 2h3k s TYR 129 N -6.03 0.23 -0.29 0.28 5.04 -1.26 -4.73 117.35 110.58 2h3k s TYR 129 Ca -0.13 -0.18 0.02 0.00 -2.44 0.00 0.00 57.07 54.35 2h3k s TYR 129 Cb 0.21 -0.66 0.08 0.00 0.35 0.00 0.00 41.96 41.95 2h3k s TYR 129 CO 0.76 -0.42 -0.01 0.99 -1.34 0.00 0.00 175.55 175.53 2h3k s THR 130 N 2.12 1.93 -0.92 4.34 2.01 -0.91 -4.59 115.64 119.62 2h3k s THR 130 Ca 0.03 -1.79 -0.24 0.00 0.31 0.00 0.00 61.69 59.99 2h3k s THR 130 Cb -0.15 -2.26 0.04 0.00 0.01 0.00 0.00 72.50 70.14 2h3k s THR 130 CO -0.07 -0.34 1.43 -0.75 -0.69 0.00 0.00 174.62 174.21 2h3k s LYS 131 N 1.14 3.39 -0.61 4.92 2.20 -0.79 -0.51 119.74 129.49 2h3k s LYS 131 Ca 0.01 -0.77 -0.17 0.00 -0.36 0.00 0.00 55.97 54.69 2h3k s LYS 131 Cb -0.19 -4.97 0.13 0.00 -1.51 0.00 0.00 37.83 31.29 2h3k s LYS 131 CO -0.09 -2.26 0.62 -1.17 -0.36 0.00 0.00 175.35 172.09 2h3k s LEU 132 N 5.57 5.95 -0.45 5.43 0.20 -0.63 -2.19 118.68 132.56 2h3k s LEU 132 Ca 0.44 -1.79 -0.25 0.00 0.69 0.00 0.00 54.13 53.23 2h3k s LEU 132 Cb -0.03 -2.25 0.02 0.00 -0.43 0.00 0.00 46.19 43.51 2h3k s LEU 132 CO -0.01 -0.92 0.89 -0.69 -0.29 0.00 0.00 176.35 175.33 2h3k s VAL 133 N 1.84 4.53 1.03 1.68 1.01 -0.57 -2.32 120.40 127.59 2h3k s VAL 133 Ca 0.09 0.74 -0.16 0.00 0.00 0.00 0.00 61.98 62.64 2h3k s VAL 133 Cb -0.25 -4.39 0.05 0.00 0.00 0.00 0.00 36.38 31.79 2h3k s VAL 133 CO 0.02 -0.76 0.12 0.49 0.00 0.00 0.00 175.10 174.97 2h3k n PHE 134 N 7.01 -1.61 0.14 5.22 3.72 0.22 -0.27 117.46 131.90 2h3k n PHE 134 Ca 0.05 0.19 0.04 0.00 -0.05 0.00 0.00 57.45 57.68 2h3k n PHE 134 Cb 0.48 -1.66 0.04 0.00 -0.94 0.00 0.00 39.48 37.40 2h3k n PHE 134 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h3k h ALA 135 N -1.74 0.72 -2.73 4.37 0.00 -0.23 -3.42 119.26 116.22 2h3k h ALA 135 Ca -0.48 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 53.94 2h3k h ALA 135 Cb 1.32 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 2h3k h ALA 135 CO 0.35 0.54 -0.23 0.15 0.00 0.00 0.00 179.25 180.06 2h3k s LYS 136 N -3.00 1.31 0.00 0.00 1.02 -1.26 -4.98 119.74 112.83 2h3k s LYS 136 Ca 0.04 -1.18 -0.30 0.00 0.02 0.00 0.00 55.97 54.55 2h3k s LYS 136 Cb 0.07 0.42 -0.05 0.00 -0.52 0.00 0.00 37.83 37.75 2h3k s LYS 136 CO 0.74 -0.51 1.32 -1.25 -0.92 0.00 0.00 175.35 174.73 2h3k s PRO 137 N -3.98 4.32 -1.07 -1.68 0.04 -1.26 -4.59 135.00 126.78 2h3k s PRO 137 Ca 0.19 1.88 -0.18 0.00 0.04 0.00 0.00 61.00 62.93 2h3k s PRO 137 Cb 0.02 -3.51 0.13 0.00 0.04 0.00 0.00 34.50 31.17 2h3k s PRO 137 CO 0.03 -0.49 1.34 0.42 0.04 0.00 0.00 177.00 178.34 2h3k s ILE 138 N 2.06 4.64 -0.24 0.56 -1.09 -1.04 -4.91 121.20 121.18 2h3k s ILE 138 Ca 0.61 -1.84 -0.17 0.00 -2.23 0.00 0.00 60.65 57.03 2h3k s ILE 138 Cb -0.30 -4.91 -0.03 0.00 -1.58 0.00 0.00 42.46 35.64 2h3k s ILE 138 CO 0.26 -1.66 0.47 -0.31 -1.23 0.00 0.00 174.94 172.47 2h3k s TYR 139 N 2.82 3.30 1.13 3.97 2.02 -1.26 -3.54 117.35 125.80 2h3k s TYR 139 Ca 0.40 0.62 -0.16 0.00 -0.37 0.00 0.00 57.07 57.56 2h3k s TYR 139 Cb -0.03 -2.65 0.23 0.00 -0.40 0.00 0.00 41.96 39.12 2h3k s TYR 139 CO -0.05 -0.19 0.50 0.27 -1.57 0.00 0.00 175.55 174.51 2h3k n ASN 140 N 5.17 -3.29 -3.71 2.29 6.94 -1.26 -4.93 115.26 116.47 2h3k n ASN 140 Ca -0.06 -0.51 -0.28 0.00 -0.02 0.00 0.00 54.58 53.71 2h3k n ASN 140 Cb 0.50 -0.84 -0.12 0.00 -2.36 0.00 0.00 39.78 36.96 2h3k n ASN 140 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2h3k s ASP 141 N -2.28 3.56 0.06 0.53 1.11 -1.26 -4.92 116.67 113.47 2h3k s ASP 141 Ca 0.45 -3.17 0.20 0.00 0.18 0.00 0.00 52.55 50.20 2h3k s ASP 141 Cb -0.08 -1.13 0.82 0.00 1.07 0.00 0.00 42.92 43.59 2h3k s ASP 141 CO 0.40 -0.18 1.62 -0.81 1.18 0.00 0.00 175.17 177.38 2h3k n PRO 142 N 2.81 0.05 -1.09 8.23 -0.04 -1.26 -3.09 135.00 140.61 2h3k n PRO 142 Ca 0.17 0.23 0.05 0.00 -0.04 0.00 0.00 63.50 63.91 2h3k n PRO 142 Cb 0.38 -1.58 0.09 0.00 -0.04 0.00 0.00 33.50 32.35 2h3k n PRO 142 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2h3k n SER 143 N -1.67 1.26 0.00 3.54 7.64 -1.26 -5.13 113.62 118.00 2h3k n SER 143 Ca 0.04 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.19 2h3k n SER 143 Cb 0.23 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92