#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 4.54 0.00 0.00 2.15 -1.26 -5.09 116.67 117.01 2h3k s ASP 2 Ca 0.00 0.77 0.00 0.00 0.43 0.00 0.00 52.55 53.75 2h3k s ASP 2 Cb 0.00 -1.28 0.00 0.00 -0.30 0.00 0.00 42.92 41.34 2h3k s ASP 2 CO 0.00 -1.88 0.00 -1.84 -0.17 0.00 0.00 175.17 171.28 2h3k n GLU 3 N -3.29 1.35 -3.38 4.34 0.28 -1.26 -5.13 120.64 113.55 2h3k n GLU 3 Ca 0.08 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.70 2h3k n GLU 3 Cb 0.61 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.42 2h3k n GLU 3 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2h3k s SER 4 N 1.00 6.77 0.56 -1.84 0.01 -1.26 -4.65 113.70 114.29 2h3k s SER 4 Ca 0.00 0.92 0.23 0.00 1.31 0.00 0.00 55.95 58.42 2h3k s SER 4 Cb 0.00 -2.28 1.55 0.00 0.21 0.00 0.00 66.02 65.50 2h3k s SER 4 CO 0.00 0.16 2.19 -0.07 0.41 0.00 0.00 173.24 175.93 2h3k h LEU 5 N 5.68 0.00 -0.89 2.44 4.07 -1.79 0.36 115.31 125.19 2h3k h LEU 5 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 2h3k h LEU 5 Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 2h3k h LEU 5 CO 0.69 0.00 0.00 0.50 -1.08 0.00 0.00 178.44 178.55 2h3k h LYS 6 N 0.00 0.00 0.00 1.13 3.64 -1.72 -2.68 116.57 116.94 2h3k h LYS 6 Ca 0.01 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2h3k h LYS 6 Cb 0.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2h3k h LYS 6 CO -0.00 0.00 -1.98 -3.47 -2.27 0.00 0.00 179.45 171.73 2h3k n ASP 7 N -2.87 0.06 0.14 4.20 2.03 0.04 -4.24 116.55 115.91 2h3k n ASP 7 Ca 0.02 0.02 0.09 0.00 0.52 0.00 0.00 54.79 55.44 2h3k n ASP 7 Cb 0.35 1.78 0.06 0.00 -0.72 0.00 0.00 41.12 42.59 2h3k n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2h3k h ALA 8 N 1.89 0.73 0.00 -1.67 0.00 -1.24 -3.26 119.26 115.71 2h3k h ALA 8 Ca -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2h3k h ALA 8 Cb 1.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2h3k h ALA 8 CO 0.00 0.22 0.00 -0.84 0.00 0.00 0.00 179.25 178.64 2h3k h ILE 9 N 0.00 0.00 -1.98 0.00 3.07 -1.65 -3.39 117.51 113.55 2h3k h ILE 9 Ca -0.02 -0.42 -0.60 0.00 1.55 0.00 0.00 64.86 65.37 2h3k h ILE 9 Cb 1.14 1.33 -0.11 0.00 -0.27 0.00 0.00 36.82 38.91 2h3k h ILE 9 CO 0.02 0.00 1.09 -0.54 -1.05 0.00 0.00 178.15 177.66 2h3k s LYS 10 N -3.55 3.38 -0.15 0.16 -0.14 -1.23 -4.83 119.74 113.38 2h3k s LYS 10 Ca 0.02 -0.88 -0.29 0.00 -1.36 0.00 0.00 55.97 53.46 2h3k s LYS 10 Cb 0.09 -4.71 0.10 0.00 -1.68 0.00 0.00 37.83 31.63 2h3k s LYS 10 CO 0.49 -2.06 0.84 0.34 -0.76 0.00 0.00 175.35 174.21 2h3k s ASP 11 N 4.15 -0.55 0.20 2.83 2.15 -1.26 -5.02 116.67 119.16 2h3k s ASP 11 Ca 0.36 0.73 0.07 0.00 0.43 0.00 0.00 52.55 54.15 2h3k s ASP 11 Cb -0.06 0.63 0.11 0.00 -0.30 0.00 0.00 42.92 43.30 2h3k s ASP 11 CO 0.02 -0.41 1.46 1.55 -0.17 0.00 0.00 175.17 177.62 2h3k h PRO 12 N 3.29 0.06 0.00 4.34 0.13 -1.98 -3.08 132.00 134.76 2h3k h PRO 12 Ca -0.25 -0.06 -0.23 0.00 -0.87 0.00 0.00 66.00 64.59 2h3k h PRO 12 Cb 1.15 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2h3k h PRO 12 CO 0.28 0.81 -1.30 0.00 -0.23 0.00 0.00 178.00 177.56 2h3k h ALA 13 N 1.16 0.59 -0.42 -0.56 0.00 -1.98 -3.29 119.26 114.76 2h3k h ALA 13 Ca -0.02 -1.10 -0.07 0.00 0.00 0.00 0.00 54.91 53.73 2h3k h ALA 13 Cb 1.38 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 2h3k h ALA 13 CO 0.11 1.30 0.08 1.28 0.00 0.00 0.00 179.25 182.02 2h3k n LEU 14 N -3.16 4.30 -0.01 0.00 4.77 -1.23 -4.06 117.00 117.61 2h3k n LEU 14 Ca -0.08 -2.20 -0.07 0.00 -0.03 0.00 0.00 56.01 53.63 2h3k n LEU 14 Cb 0.96 -0.64 -0.13 0.00 -2.33 0.00 0.00 43.42 41.28 2h3k n LEU 14 CO 0.45 0.56 -0.48 1.21 -1.33 0.00 0.00 177.39 177.80 2h3k n GLU 15 N 0.21 0.63 -2.71 3.23 2.13 -1.17 0.79 120.64 123.75 2h3k n GLU 15 Ca 0.22 0.29 -0.05 0.00 0.66 0.00 0.00 57.16 58.28 2h3k n GLU 15 Cb 0.94 -1.80 0.04 0.00 0.27 0.00 0.00 31.44 30.89 2h3k n GLU 15 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2h3k n ASN 16 N -3.02 -2.33 -4.73 4.31 3.02 -1.26 -3.90 115.26 107.34 2h3k n ASN 16 Ca -0.16 -2.20 -0.24 0.00 -0.03 0.00 0.00 54.58 51.95 2h3k n ASN 16 Cb 1.02 1.27 -0.06 0.00 -0.61 0.00 0.00 39.78 41.39 2h3k n ASN 16 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2h3k s LYS 17 N 0.72 2.62 -1.16 3.52 2.20 -1.26 -5.04 119.74 121.33 2h3k s LYS 17 Ca 0.28 -1.13 -0.07 0.00 -0.36 0.00 0.00 55.97 54.68 2h3k s LYS 17 Cb 0.13 -2.42 0.25 0.00 -1.51 0.00 0.00 37.83 34.27 2h3k s LYS 17 CO -0.12 0.42 1.59 -1.91 -0.36 0.00 0.00 175.35 174.97 2h3k n GLU 18 N -0.70 4.02 0.30 4.03 2.13 -1.26 -4.77 120.64 124.38 2h3k n GLU 18 Ca -0.08 -4.14 0.20 0.00 0.66 0.00 0.00 57.16 53.80 2h3k n GLU 18 Cb 0.57 -2.70 0.97 0.00 0.27 0.00 0.00 31.44 30.55 2h3k n GLU 18 CO 0.00 0.00 0.00 1.12 -0.41 0.00 0.00 177.13 177.84 2h3k h HIS 19 N 5.77 0.00 -0.73 4.31 2.07 -1.97 -3.38 115.15 121.23 2h3k h HIS 19 Ca 0.28 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.43 2h3k h HIS 19 Cb 0.66 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.59 2h3k h HIS 19 CO 1.08 0.00 0.97 -0.51 -3.07 0.00 0.00 177.93 176.40 2h3k s ASP 20 N -5.18 5.39 -0.08 3.10 1.11 -1.26 -4.89 116.67 114.86 2h3k s ASP 20 Ca -0.02 -1.06 -0.06 0.00 0.18 0.00 0.00 52.55 51.59 2h3k s ASP 20 Cb 0.11 -2.57 0.03 0.00 1.07 0.00 0.00 42.92 41.56 2h3k s ASP 20 CO 0.43 -2.57 0.20 -0.63 1.18 0.00 0.00 175.17 173.78 2h3k s ILE 21 N 9.29 -0.02 0.00 0.77 1.01 -1.26 -5.10 121.20 125.89 2h3k s ILE 21 Ca 0.66 0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.38 2h3k s ILE 21 Cb -0.04 -0.30 0.00 0.00 0.01 0.00 0.00 42.46 42.13 2h3k s ILE 21 CO 0.01 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2h3k n GLY 22 N 3.58 -0.87 3.74 6.18 0.00 -1.26 -4.96 105.19 111.60 2h3k n GLY 22 Ca -0.19 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 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 0.82 -0.13 1.61 0.04 -1.26 -5.08 135.00 130.99 2h3k s PRO 23 Ca 0.00 0.35 -0.33 0.00 0.04 0.00 0.00 61.00 61.06 2h3k s PRO 23 Cb 0.00 -1.80 0.13 0.00 0.04 0.00 0.00 34.50 32.87 2h3k s PRO 23 CO 0.00 -2.43 1.11 -0.98 0.04 0.00 0.00 177.00 174.74 2h3k s ARG 24 N -5.17 0.46 0.34 4.56 3.03 -1.26 -4.56 118.95 116.36 2h3k s ARG 24 Ca 0.64 -0.17 -0.02 0.00 2.03 0.00 0.00 55.73 58.22 2h3k s ARG 24 Cb -0.16 0.21 0.01 0.00 -1.03 0.00 0.00 34.95 33.98 2h3k s ARG 24 CO 0.55 -0.20 0.48 0.39 -1.13 0.00 0.00 175.30 175.39 2h3k n GLU 25 N -0.12 0.70 -4.05 3.89 1.02 -0.73 -4.90 120.64 116.45 2h3k n GLU 25 Ca -0.02 -2.68 -0.31 0.00 -0.02 0.00 0.00 57.16 54.12 2h3k n GLU 25 Cb 0.59 2.61 -0.16 0.00 -0.02 0.00 0.00 31.44 34.46 2h3k n GLU 25 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2h3k s GLN 26 N -2.74 2.50 -0.03 3.49 -1.52 -1.26 -2.77 119.66 117.32 2h3k s GLN 26 Ca 0.28 -0.67 0.03 0.00 -1.95 0.00 0.00 55.36 53.04 2h3k s GLN 26 Cb -0.01 -2.28 0.00 0.00 -0.22 0.00 0.00 33.01 30.50 2h3k s GLN 26 CO 0.20 -0.25 -0.10 0.08 -0.25 0.00 0.00 175.29 174.97 2h3k s VAL 27 N 1.41 0.89 0.57 1.09 1.01 0.17 -4.94 120.40 120.60 2h3k s VAL 27 Ca 0.04 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 2h3k s VAL 27 Cb -0.13 -0.79 0.12 0.00 0.00 0.00 0.00 36.38 35.58 2h3k s VAL 27 CO -0.11 0.27 0.79 -3.20 0.00 0.00 0.00 175.10 172.85 2h3k n ASN 28 N 3.26 0.90 -3.74 3.32 5.15 -1.26 -0.08 115.26 122.80 2h3k n ASN 28 Ca -0.18 -1.80 -0.13 0.00 -0.60 0.00 0.00 54.58 51.87 2h3k n ASN 28 Cb 0.54 -0.52 -0.10 0.00 -0.53 0.00 0.00 39.78 39.17 2h3k n ASN 28 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2h3k s PHE 29 N -2.39 -0.39 -0.36 1.20 -0.12 -1.26 -1.57 117.98 113.08 2h3k s PHE 29 Ca 0.51 0.92 -0.17 0.00 -0.05 0.00 0.00 56.93 58.14 2h3k s PHE 29 Cb -0.03 0.14 -0.00 0.00 -0.63 0.00 0.00 43.02 42.50 2h3k s PHE 29 CO 0.34 -0.24 0.44 -0.65 -0.05 0.00 0.00 175.22 175.06 2h3k s GLN 30 N -0.05 3.48 -0.31 1.99 1.11 0.13 -4.89 119.66 121.12 2h3k s GLN 30 Ca -0.02 -0.39 -0.23 0.00 0.01 0.00 0.00 55.36 54.72 2h3k s GLN 30 Cb -0.03 -3.84 0.00 0.00 -1.01 0.00 0.00 33.01 28.13 2h3k s GLN 30 CO 0.01 -0.65 0.76 -0.51 0.01 0.00 0.00 175.29 174.92 2h3k s LEU 31 N 2.20 4.10 -0.14 2.90 1.43 -1.26 -1.80 118.68 126.12 2h3k s LEU 31 Ca 0.15 0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 53.80 2h3k s LEU 31 Cb -0.16 -3.03 0.06 0.00 0.03 0.00 0.00 46.19 43.09 2h3k s LEU 31 CO 0.13 -0.61 0.15 -0.76 0.23 0.00 0.00 176.35 175.49 2h3k s LEU 32 N 2.92 0.04 0.00 1.79 1.43 -1.07 -4.32 118.68 119.46 2h3k s LEU 32 Ca 0.31 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 2h3k s LEU 32 Cb -0.14 0.14 0.00 0.00 0.03 0.00 0.00 46.19 46.22 2h3k s LEU 32 CO 0.13 -0.30 0.00 0.47 0.23 0.00 0.00 176.35 176.88 2h3k n ASP 33 N 5.31 0.00 -0.91 2.29 9.92 -1.25 -1.83 116.55 130.07 2h3k n ASP 33 Ca -0.05 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.25 2h3k n ASP 33 Cb 0.50 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 41.14 2h3k n ASP 33 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2h3k n LYS 34 N 0.00 2.33 -0.60 -1.24 4.81 -1.26 -3.74 118.16 118.46 2h3k n LYS 34 Ca 0.00 -1.28 0.03 0.00 -0.87 0.00 0.00 58.31 56.19 2h3k n LYS 34 Cb 0.00 -1.61 0.04 0.00 0.02 0.00 0.00 35.03 33.48 2h3k n LYS 34 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2h3k n ASN 35 N 0.34 0.73 -2.37 3.14 3.02 -1.26 -4.97 115.26 113.89 2h3k n ASN 35 Ca 0.12 -2.32 -0.10 0.00 -0.03 0.00 0.00 54.58 52.25 2h3k n ASN 35 Cb 0.51 -0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.39 2h3k n ASN 35 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2h3k n ASN 36 N -0.25 -3.21 -4.30 6.41 5.03 -1.25 -4.90 115.26 112.79 2h3k n ASN 36 Ca 0.05 0.26 -0.36 0.00 0.87 0.00 0.00 54.58 55.40 2h3k n ASN 36 Cb 0.77 -2.78 -0.13 0.00 -1.02 0.00 0.00 39.78 36.61 2h3k n ASN 36 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2h3k s GLU 37 N -4.86 3.08 -0.08 3.52 2.56 -1.26 -4.93 118.70 116.73 2h3k s GLU 37 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 54.97 53.83 2h3k s GLU 37 Cb 0.00 -3.19 -0.04 0.00 2.00 0.00 0.00 34.13 32.90 2h3k s GLU 37 CO 0.00 -0.38 1.41 0.99 -0.56 0.00 0.00 175.26 176.72 2h3k s THR 38 N 1.45 3.93 0.00 -1.70 2.01 -1.26 -3.97 115.64 116.09 2h3k s THR 38 Ca 0.02 1.19 0.00 0.00 0.31 0.00 0.00 61.69 63.21 2h3k s THR 38 Cb -0.16 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.58 2h3k s THR 38 CO -0.01 -0.07 0.00 0.00 -0.69 0.00 0.00 174.62 173.85 2h3k n GLN 39 N 6.37 -1.08 -2.27 4.92 10.64 -1.26 -4.99 117.38 129.71 2h3k n GLN 39 Ca 0.14 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 55.04 2h3k n GLN 39 Cb 0.44 0.00 0.03 0.00 -0.86 0.00 0.00 30.24 29.85 2h3k n GLN 39 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2h3k s TYR 40 N -0.73 3.31 -0.67 2.61 1.51 -1.26 -5.03 117.35 117.09 2h3k s TYR 40 Ca 0.00 0.78 -0.10 0.00 -1.01 0.00 0.00 57.07 56.74 2h3k s TYR 40 Cb 0.00 -2.79 0.17 0.00 -0.11 0.00 0.00 41.96 39.24 2h3k s TYR 40 CO 0.00 -0.87 0.57 0.71 -1.11 0.00 0.00 175.55 174.85 2h3k s TYR 41 N -3.07 3.55 0.00 2.71 1.51 -1.26 -5.02 117.35 115.77 2h3k s TYR 41 Ca 0.54 -2.09 0.00 0.00 -1.01 0.00 0.00 57.07 54.52 2h3k s TYR 41 Cb -0.11 -3.59 0.00 0.00 -0.11 0.00 0.00 41.96 38.16 2h3k s TYR 41 CO 0.47 -0.95 0.00 1.58 -1.11 0.00 0.00 175.55 175.54 2h3k n HIS 42 N 4.17 0.00 -2.46 2.71 -0.00 -1.26 -5.09 115.22 113.29 2h3k n HIS 42 Ca 0.05 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.80 2h3k n HIS 42 Cb 0.42 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.27 2h3k n HIS 42 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 2h3k s PHE 43 N -1.51 2.61 0.19 1.57 0.40 -1.26 -4.74 117.98 115.24 2h3k s PHE 43 Ca 0.00 0.74 0.00 0.00 -0.60 0.00 0.00 56.93 57.07 2h3k s PHE 43 Cb 0.00 -4.27 0.00 0.00 0.51 0.00 0.00 43.02 39.26 2h3k s PHE 43 CO 0.00 -1.66 0.00 1.19 0.70 0.00 0.00 175.22 175.45 2h3k n PHE 44 N 8.25 -1.52 0.00 0.36 3.72 -1.26 -5.12 117.46 121.89 2h3k n PHE 44 Ca 0.15 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.81 2h3k n PHE 44 Cb 0.48 0.46 0.00 0.00 -0.94 0.00 0.00 39.48 39.48 2h3k n PHE 44 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2h3k n SER 45 N -3.25 0.00 -4.52 4.37 3.41 -1.26 -4.46 113.62 107.91 2h3k n SER 45 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 2h3k n SER 45 Cb 0.03 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.22 2h3k n SER 45 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2h3k s ILE 46 N 0.00 2.02 0.00 -1.33 1.09 -1.26 -1.10 121.20 120.63 2h3k s ILE 46 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.56 2h3k s ILE 46 Cb 0.00 -2.14 0.00 0.00 -1.06 0.00 0.00 42.46 39.26 2h3k s ILE 46 CO 0.00 -0.01 0.00 1.17 -0.10 0.00 0.00 174.94 176.00 2h3k n LYS 47 N -4.80 0.00 -2.67 2.79 0.00 -1.23 -4.82 118.16 107.43 2h3k n LYS 47 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.13 2h3k n LYS 47 Cb 0.55 -0.02 0.04 0.00 0.00 0.00 0.00 35.03 35.60 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 -2.25 5.24 0.39 3.14 1.11 -1.26 -5.06 116.67 117.98 2h3k s ASP 48 Ca 0.00 -0.08 -0.25 0.00 0.18 0.00 0.00 52.55 52.40 2h3k s ASP 48 Cb 0.00 -0.78 -0.09 0.00 1.07 0.00 0.00 42.92 43.12 2h3k s ASP 48 CO 0.00 -1.16 1.10 -2.16 1.18 0.00 0.00 175.17 174.13 2h3k s PRO 49 N -4.75 4.15 0.06 8.23 0.04 -1.26 -4.73 135.00 136.74 2h3k s PRO 49 Ca 0.58 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.98 2h3k s PRO 49 Cb -0.10 -2.65 -0.07 0.00 0.04 0.00 0.00 34.50 31.72 2h3k s PRO 49 CO 0.38 -0.19 1.42 0.00 0.04 0.00 0.00 177.00 178.65 2h3k s ALA 50 N -1.51 3.59 0.51 8.56 0.00 0.88 -4.70 121.76 129.09 2h3k s ALA 50 Ca 0.56 1.03 0.03 0.00 0.00 0.00 0.00 51.96 53.58 2h3k s ALA 50 Cb -0.27 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.30 2h3k s ALA 50 CO 0.33 -0.78 0.71 -0.51 0.00 0.00 0.00 175.76 175.52 2h3k s ASP 51 N 1.54 5.42 0.05 0.00 1.11 -0.89 0.41 116.67 124.31 2h3k s ASP 51 Ca 0.65 -0.07 0.08 0.00 0.18 0.00 0.00 52.55 53.39 2h3k s ASP 51 Cb -0.35 -0.90 -0.03 0.00 1.07 0.00 0.00 42.92 42.71 2h3k s ASP 51 CO 0.29 -1.00 -0.24 -0.69 1.18 0.00 0.00 175.17 174.71 2h3k s VAL 52 N -2.64 1.93 -0.48 -1.27 1.01 -1.11 -0.97 120.40 116.87 2h3k s VAL 52 Ca 0.56 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 61.26 2h3k s VAL 52 Cb -0.10 -1.66 0.12 0.00 0.00 0.00 0.00 36.38 34.74 2h3k s VAL 52 CO 0.37 0.29 0.21 -0.31 0.00 0.00 0.00 175.10 175.66 2h3k s TYR 53 N -0.81 3.33 -1.08 5.22 1.51 0.41 -1.77 117.35 124.16 2h3k s TYR 53 Ca 0.10 -3.13 -0.22 0.00 -1.01 0.00 0.00 57.07 52.80 2h3k s TYR 53 Cb -0.09 -2.85 0.03 0.00 -0.11 0.00 0.00 41.96 38.93 2h3k s TYR 53 CO 0.02 -0.79 1.64 0.71 -1.11 0.00 0.00 175.55 176.02 2h3k s TYR 54 N -0.00 2.43 0.00 2.71 2.02 -1.26 -1.39 117.35 121.85 2h3k s TYR 54 Ca 0.16 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 2h3k s TYR 54 Cb -0.24 -4.55 0.00 0.00 -0.40 0.00 0.00 41.96 36.76 2h3k s TYR 54 CO -0.02 -1.82 0.00 0.25 -1.57 0.00 0.00 175.55 172.39 2h3k n THR 55 N 7.00 0.00 0.81 -0.71 -2.24 -1.22 -4.71 114.28 113.20 2h3k n THR 55 Ca 0.39 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.29 2h3k n THR 55 Cb 0.49 -1.68 0.30 0.00 -2.10 0.00 0.00 70.33 67.34 2h3k n THR 55 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2h3k n LYS 56 N 0.00 0.13 -0.02 -0.78 2.85 -1.26 -4.48 118.16 114.60 2h3k n LYS 56 Ca 0.00 0.05 -0.02 0.00 -1.05 0.00 0.00 58.31 57.29 2h3k n LYS 56 Cb 0.00 -1.60 -0.01 0.00 -0.65 0.00 0.00 35.03 32.78 2h3k n LYS 56 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2h3k n LYS 57 N -1.79 0.11 -3.92 -1.58 5.02 -1.26 -5.09 118.16 109.64 2h3k n LYS 57 Ca 0.05 0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.29 2h3k n LYS 57 Cb 0.38 -0.70 -0.06 0.00 -0.02 0.00 0.00 35.03 34.63 2h3k n LYS 57 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2h3k s LYS 58 N -1.39 1.19 0.81 1.97 -0.14 -1.26 -5.07 119.74 115.84 2h3k s LYS 58 Ca -0.06 -1.12 -0.12 0.00 -1.36 0.00 0.00 55.97 53.31 2h3k s LYS 58 Cb 0.01 0.40 0.08 0.00 -1.68 0.00 0.00 37.83 36.64 2h3k s LYS 58 CO 0.09 -0.45 1.14 0.00 -0.76 0.00 0.00 175.35 175.37 2h3k s ALA 59 N -3.95 1.95 -0.19 5.17 0.00 -1.26 -3.41 121.76 120.07 2h3k s ALA 59 Ca 0.16 0.56 -0.04 0.00 0.00 0.00 0.00 51.96 52.64 2h3k s ALA 59 Cb 0.03 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.84 2h3k s ALA 59 CO -0.00 -2.12 0.22 -1.21 0.00 0.00 0.00 175.76 172.64 2h3k s GLU 60 N -4.50 0.17 0.13 0.00 2.02 -0.49 -3.09 118.70 112.94 2h3k s GLU 60 Ca 0.67 0.28 -0.23 0.00 0.02 0.00 0.00 54.97 55.70 2h3k s GLU 60 Cb -0.22 -1.04 -0.07 0.00 0.10 0.00 0.00 34.13 32.90 2h3k s GLU 60 CO 0.53 -0.59 0.71 0.08 0.02 0.00 0.00 175.26 176.00 2h3k s VAL 61 N 2.33 4.50 0.01 2.63 1.01 -0.85 0.16 120.40 130.18 2h3k s VAL 61 Ca 0.06 1.54 0.05 0.00 0.00 0.00 0.00 61.98 63.63 2h3k s VAL 61 Cb -0.15 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 2h3k s VAL 61 CO -0.11 0.53 -0.16 -0.70 0.00 0.00 0.00 175.10 174.66 2h3k s GLU 62 N -1.10 1.16 0.23 2.72 -6.30 -0.14 -1.74 118.70 113.53 2h3k s GLU 62 Ca 0.34 -0.68 0.11 0.00 -2.50 0.00 0.00 54.97 52.24 2h3k s GLU 62 Cb -0.22 -1.16 -0.05 0.00 0.00 0.00 0.00 34.13 32.70 2h3k s GLU 62 CO 0.24 0.31 -0.20 -0.51 0.02 0.00 0.00 175.26 175.11 2h3k s LEU 63 N -0.74 2.58 -0.35 2.70 1.02 -0.68 -2.10 118.68 121.10 2h3k s LEU 63 Ca 0.05 -0.89 -0.04 0.00 0.02 0.00 0.00 54.13 53.26 2h3k s LEU 63 Cb -0.07 -1.21 0.07 0.00 0.02 0.00 0.00 46.19 45.00 2h3k s LEU 63 CO 0.00 0.08 0.12 -1.81 0.02 0.00 0.00 176.35 174.76 2h3k s ASP 64 N -3.07 5.19 0.22 2.29 1.11 -1.26 -3.08 116.67 118.08 2h3k s ASP 64 Ca 0.25 -1.48 -0.13 0.00 0.18 0.00 0.00 52.55 51.37 2h3k s ASP 64 Cb -0.07 -1.82 -0.08 0.00 1.07 0.00 0.00 42.92 42.03 2h3k s ASP 64 CO 0.13 -0.39 0.60 -0.63 1.18 0.00 0.00 175.17 176.06 2h3k s ILE 65 N 1.28 4.82 -0.05 0.77 1.09 -1.07 -3.51 121.20 124.52 2h3k s ILE 65 Ca 0.01 0.75 0.06 0.00 -1.10 0.00 0.00 60.65 60.36 2h3k s ILE 65 Cb -0.21 -3.67 -0.08 0.00 -1.06 0.00 0.00 42.46 37.44 2h3k s ILE 65 CO -0.01 0.02 0.04 -3.20 -0.10 0.00 0.00 174.94 171.70 2h3k n ASN 66 N 0.17 3.47 -2.64 3.58 2.85 -0.25 -2.42 115.26 120.02 2h3k n ASN 66 Ca -0.01 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.10 2h3k n ASN 66 Cb 0.52 0.76 0.05 0.00 1.24 0.00 0.00 39.78 42.35 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 -2.15 3.44 0.06 -0.44 -2.24 -1.26 -4.09 114.28 107.60 2h3k n THR 67 Ca -0.09 -3.91 0.21 0.00 -2.27 0.00 0.00 64.05 57.99 2h3k n THR 67 Cb 0.62 -1.21 0.69 0.00 -2.10 0.00 0.00 70.33 68.33 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 2.59 2.20 0.00 6.98 0.00 -1.83 0.70 119.26 129.91 2h3k h ALA 68 Ca 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2h3k h ALA 68 Cb 0.45 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2h3k h ALA 68 CO 1.40 -0.83 0.00 1.03 0.00 0.00 0.00 179.25 180.85 2h3k h SER 69 N 0.00 0.00 0.01 0.00 0.87 -1.94 -2.85 113.55 109.63 2h3k h SER 69 Ca 0.23 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 2h3k h SER 69 Cb 1.39 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.33 2h3k h SER 69 CO -0.00 0.00 -2.09 0.35 -0.53 0.00 0.00 176.83 174.56 2h3k n THR 70 N -2.70 0.35 -2.08 2.23 -2.24 0.24 -4.94 114.28 105.14 2h3k n THR 70 Ca 0.01 -0.59 -0.41 0.00 -2.27 0.00 0.00 64.05 60.79 2h3k n THR 70 Cb 0.25 -0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 2h3k n THR 70 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2h3k s TRP 71 N -3.26 3.11 -0.07 4.78 0.52 -1.08 -2.78 118.94 120.16 2h3k s TRP 71 Ca -0.08 1.06 -0.01 0.00 0.02 0.00 0.00 56.10 57.09 2h3k s TRP 71 Cb 0.12 -3.75 -0.04 0.00 -1.15 0.00 0.00 33.47 28.65 2h3k s TRP 71 CO 0.89 -2.45 -0.07 1.17 0.02 0.00 0.00 176.95 176.51 2h3k n LYS 72 N 2.59 0.16 -4.22 4.98 0.00 -1.17 -3.60 118.16 116.90 2h3k n LYS 72 Ca 0.07 0.05 -0.16 0.00 0.00 0.00 0.00 58.31 58.27 2h3k n LYS 72 Cb 0.41 -0.99 -0.08 0.00 0.00 0.00 0.00 35.03 34.37 2h3k n LYS 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2h3k s LYS 73 N -2.13 1.54 -0.30 1.64 2.20 -1.26 -2.78 119.74 118.66 2h3k s LYS 73 Ca -0.09 -1.81 -0.17 0.00 -0.36 0.00 0.00 55.97 53.54 2h3k s LYS 73 Cb 0.03 0.32 0.18 0.00 -1.51 0.00 0.00 37.83 36.85 2h3k s LYS 73 CO 0.14 -0.56 1.20 0.12 -0.36 0.00 0.00 175.35 175.89 2h3k s PHE 74 N -3.71 -0.23 -0.30 4.03 5.36 -1.21 -4.13 117.98 117.78 2h3k s PHE 74 Ca 0.38 0.34 -0.03 0.00 -0.96 0.00 0.00 56.93 56.66 2h3k s PHE 74 Cb 0.04 0.12 0.11 0.00 -0.34 0.00 0.00 43.02 42.95 2h3k s PHE 74 CO 0.20 -0.12 0.17 -1.21 -1.46 0.00 0.00 175.22 172.80 2h3k s GLU 75 N 2.47 0.28 0.31 10.12 0.41 -0.16 -4.61 118.70 127.52 2h3k s GLU 75 Ca -0.03 -0.61 -0.29 0.00 -0.41 0.00 0.00 54.97 53.64 2h3k s GLU 75 Cb -0.05 -1.10 -0.10 0.00 -1.78 0.00 0.00 34.13 31.11 2h3k s GLU 75 CO -0.13 -1.06 1.22 0.08 -0.49 0.00 0.00 175.26 174.88 2h3k s VAL 76 N 1.96 3.05 -0.05 2.63 1.01 -1.24 -3.03 120.40 124.73 2h3k s VAL 76 Ca 0.11 1.06 -0.02 0.00 0.00 0.00 0.00 61.98 63.13 2h3k s VAL 76 Cb -0.17 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2h3k s VAL 76 CO -0.30 0.25 0.11 -0.47 0.00 0.00 0.00 175.10 174.69 2h3k s TYR 77 N -1.12 -0.10 0.03 5.22 5.04 0.11 0.45 117.35 126.98 2h3k s TYR 77 Ca 0.47 0.35 -0.01 0.00 -2.44 0.00 0.00 57.07 55.44 2h3k s TYR 77 Cb -0.36 -0.11 -0.03 0.00 0.35 0.00 0.00 41.96 41.81 2h3k s TYR 77 CO 0.48 -0.13 -0.01 -1.83 -1.34 0.00 0.00 175.55 172.72 2h3k s GLU 78 N 1.01 0.47 0.00 4.97 4.04 -1.08 0.36 118.70 128.48 2h3k s GLU 78 Ca -0.08 -0.87 0.00 0.00 0.04 0.00 0.00 54.97 54.06 2h3k s GLU 78 Cb -0.11 0.17 0.00 0.00 0.02 0.00 0.00 34.13 34.21 2h3k s GLU 78 CO -0.04 -0.09 0.00 -1.71 -1.84 0.00 0.00 175.26 171.58 2h3k n ASN 79 N 0.89 0.00 -1.43 0.83 5.15 -1.26 -2.49 115.26 116.95 2h3k n ASN 79 Ca -0.19 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.77 2h3k n ASN 79 Cb 0.58 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.85 2h3k n ASN 79 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2h3k n ASN 80 N 1.50 -0.49 -3.64 1.20 2.85 -1.26 -5.14 115.26 110.28 2h3k n ASN 80 Ca 0.00 -1.18 -0.10 0.00 -0.11 0.00 0.00 54.58 53.20 2h3k n ASN 80 Cb 0.00 0.20 -0.07 0.00 1.24 0.00 0.00 39.78 41.15 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 0.03 0.73 -0.33 1.20 0.74 -1.04 -5.12 119.66 115.86 2h3k s GLN 81 Ca 0.02 1.11 -0.24 0.00 0.05 0.00 0.00 55.36 56.30 2h3k s GLN 81 Cb 0.10 0.22 0.01 0.00 1.10 0.00 0.00 33.01 34.44 2h3k s GLN 81 CO -0.03 -0.13 0.84 0.21 -0.55 0.00 0.00 175.29 175.63 2h3k s LYS 82 N 1.18 3.89 0.17 1.67 2.20 -1.26 -2.62 119.74 124.97 2h3k s LYS 82 Ca -0.06 0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 55.81 2h3k s LYS 82 Cb -0.05 -3.76 -0.07 0.00 -1.51 0.00 0.00 37.83 32.43 2h3k s LYS 82 CO -0.12 -0.80 0.96 -0.51 -0.36 0.00 0.00 175.35 174.52 2h3k s LEU 83 N 3.16 4.56 -0.31 5.43 1.43 0.17 -4.94 118.68 128.19 2h3k s LEU 83 Ca 0.34 1.87 -0.29 0.00 -1.03 0.00 0.00 54.13 55.02 2h3k s LEU 83 Cb -0.13 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.49 2h3k s LEU 83 CO 0.15 0.02 1.32 -2.16 0.23 0.00 0.00 176.35 175.91 2h3k s PRO 84 N -0.49 3.88 0.28 1.29 0.04 -1.26 -3.69 135.00 135.04 2h3k s PRO 84 Ca 0.45 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.42 2h3k s PRO 84 Cb -0.25 -3.90 -0.10 0.00 0.04 0.00 0.00 34.50 30.30 2h3k s PRO 84 CO 0.31 -1.17 1.21 0.54 0.04 0.00 0.00 177.00 177.93 2h3k s VAL 85 N 4.50 3.16 0.17 -0.36 0.11 -1.26 -4.91 120.40 121.80 2h3k s VAL 85 Ca 0.57 1.12 0.09 0.00 -2.93 0.00 0.00 61.98 60.83 2h3k s VAL 85 Cb -0.17 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 30.93 2h3k s VAL 85 CO 0.24 0.25 -0.09 0.00 -3.33 0.00 0.00 175.10 172.17 2h3k s ARG 86 N -1.34 2.07 -0.19 1.54 1.70 -1.13 -4.95 118.95 116.65 2h3k s ARG 86 Ca 0.48 -1.24 -0.08 0.00 -0.47 0.00 0.00 55.73 54.42 2h3k s ARG 86 Cb -0.36 -2.18 -0.04 0.00 -0.57 0.00 0.00 34.95 31.80 2h3k s ARG 86 CO 0.45 0.44 0.08 -1.17 -1.08 0.00 0.00 175.30 174.02 2h3k s LEU 87 N -2.77 3.89 -0.16 -1.89 0.20 -1.26 -2.82 118.68 113.87 2h3k s LEU 87 Ca 0.24 0.10 0.15 0.00 0.69 0.00 0.00 54.13 55.31 2h3k s LEU 87 Cb -0.09 -1.99 -0.21 0.00 -0.43 0.00 0.00 46.19 43.46 2h3k s LEU 87 CO 0.15 0.16 0.08 1.33 -0.29 0.00 0.00 176.35 177.78 2h3k n VAL 88 N 3.65 1.08 -3.58 1.68 0.24 -1.12 -5.02 118.33 115.26 2h3k n VAL 88 Ca -0.16 -0.70 -0.08 0.00 -2.04 0.00 0.00 64.34 61.36 2h3k n VAL 88 Cb 0.52 -0.50 -0.04 0.00 -1.47 0.00 0.00 33.84 32.34 2h3k n VAL 88 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2h3k s SER 89 N -5.01 -0.29 -0.16 -1.34 0.15 -1.25 -4.75 113.70 101.05 2h3k s SER 89 Ca -0.08 0.26 -0.07 0.00 0.70 0.00 0.00 55.95 56.75 2h3k s SER 89 Cb 0.05 0.25 0.06 0.00 -1.71 0.00 0.00 66.02 64.67 2h3k s SER 89 CO 0.70 -0.30 0.36 -0.47 1.20 0.00 0.00 173.24 174.72 2h3k s TYR 90 N -1.41 -0.56 0.54 3.44 6.14 0.24 -0.25 117.35 125.49 2h3k s TYR 90 Ca 0.02 1.19 -0.17 0.00 0.64 0.00 0.00 57.07 58.74 2h3k s TYR 90 Cb -0.01 0.19 -0.06 0.00 0.42 0.00 0.00 41.96 42.50 2h3k s TYR 90 CO -0.02 -0.35 1.02 0.45 0.64 0.00 0.00 175.55 177.30 2h3k s SER 91 N 1.72 6.25 0.92 4.32 0.15 0.16 -3.42 113.70 123.80 2h3k s SER 91 Ca -0.07 1.73 -0.11 0.00 0.70 0.00 0.00 55.95 58.20 2h3k s SER 91 Cb -0.10 -2.53 0.14 0.00 -1.71 0.00 0.00 66.02 61.83 2h3k s SER 91 CO -0.11 -0.84 1.09 -2.16 1.20 0.00 0.00 173.24 172.41 2h3k s PRO 92 N -3.91 1.07 0.14 5.44 0.04 -1.26 -3.67 135.00 132.85 2h3k s PRO 92 Ca 0.62 0.94 -0.13 0.00 0.04 0.00 0.00 61.00 62.47 2h3k s PRO 92 Cb -0.13 -1.78 0.12 0.00 0.04 0.00 0.00 34.50 32.75 2h3k s PRO 92 CO 0.31 -2.40 0.99 0.28 0.04 0.00 0.00 177.00 176.22 2h3k n VAL 93 N -4.01 -0.35 -0.06 -0.36 0.31 -1.26 0.14 118.33 112.73 2h3k n VAL 93 Ca 0.07 1.51 0.07 0.00 -0.01 0.00 0.00 64.34 65.98 2h3k n VAL 93 Cb 0.55 -1.97 0.43 0.00 -0.91 0.00 0.00 33.84 31.94 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 0.54 0.05 5.55 0.13 -2.03 -1.92 132.00 134.32 2h3k h PRO 94 Ca 0.20 -0.03 -0.30 0.00 -0.87 0.00 0.00 66.00 65.00 2h3k h PRO 94 Cb 0.36 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.34 2h3k h PRO 94 CO -0.63 0.36 -1.64 0.93 -0.23 0.00 0.00 178.00 176.79 2h3k h GLU 95 N 0.56 0.11 -6.05 0.86 5.08 0.93 -3.49 114.58 112.56 2h3k h GLU 95 Ca 0.22 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2h3k h GLU 95 Cb 0.18 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2h3k h GLU 95 CO -0.06 0.82 -1.00 -3.47 -1.00 0.00 0.00 179.01 174.30 2h3k n ASP 96 N -3.25 -6.84 -3.27 1.42 -0.08 0.36 -4.92 116.55 99.97 2h3k n ASP 96 Ca -0.17 0.58 0.03 0.00 -1.51 0.00 0.00 54.79 53.71 2h3k n ASP 96 Cb 1.04 -2.66 -0.02 0.00 2.34 0.00 0.00 41.12 41.82 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 -1.29 -1.24 -0.28 -0.67 3.76 -1.24 -4.42 115.29 109.90 2h3k s HIS 97 Ca 0.06 1.55 -0.04 0.00 -0.15 0.00 0.00 55.06 56.48 2h3k s HIS 97 Cb -0.01 0.52 0.02 0.00 1.11 0.00 0.00 32.58 34.22 2h3k s HIS 97 CO 0.34 -0.66 0.01 0.00 -0.85 0.00 0.00 174.74 173.58 2h3k s ALA 98 N 2.84 2.89 0.01 -1.40 0.00 -1.01 0.40 121.76 125.49 2h3k s ALA 98 Ca 0.09 -1.48 -0.18 0.00 0.00 0.00 0.00 51.96 50.39 2h3k s ALA 98 Cb -0.12 -1.94 -0.06 0.00 0.00 0.00 0.00 23.12 21.00 2h3k s ALA 98 CO -0.18 -0.91 0.50 0.71 0.00 0.00 0.00 175.76 175.88 2h3k s TYR 99 N 1.40 3.73 0.31 0.00 2.02 0.66 -2.61 117.35 122.86 2h3k s TYR 99 Ca 0.01 1.11 0.01 0.00 -0.37 0.00 0.00 57.07 57.83 2h3k s TYR 99 Cb -0.17 -2.44 -0.02 0.00 -0.40 0.00 0.00 41.96 38.93 2h3k s TYR 99 CO -0.01 0.52 0.35 0.96 -1.57 0.00 0.00 175.55 175.81 2h3k s ILE 100 N -0.75 0.00 -0.16 2.71 -5.25 -1.18 -2.78 121.20 113.80 2h3k s ILE 100 Ca 0.27 -1.80 -0.34 0.00 -0.99 0.00 0.00 60.65 57.78 2h3k s ILE 100 Cb -0.18 -2.54 0.14 0.00 2.95 0.00 0.00 42.46 42.83 2h3k s ILE 100 CO 0.16 0.00 1.27 0.00 -1.79 0.00 0.00 174.94 174.58 2h3k s ARG 101 N -3.41 0.27 0.12 0.37 1.70 -1.13 -1.68 118.95 115.18 2h3k s ARG 101 Ca 0.35 -0.12 -0.09 0.00 -0.47 0.00 0.00 55.73 55.40 2h3k s ARG 101 Cb 0.02 0.11 -0.00 0.00 -0.57 0.00 0.00 34.95 34.51 2h3k s ARG 101 CO 0.21 -0.12 0.24 -0.59 -1.08 0.00 0.00 175.30 173.96 2h3k s PHE 102 N -2.34 0.20 0.67 5.89 -0.12 -0.71 -2.84 117.98 118.74 2h3k s PHE 102 Ca 0.11 -0.60 -0.13 0.00 -0.05 0.00 0.00 56.93 56.26 2h3k s PHE 102 Cb 0.01 -0.03 0.00 0.00 -0.63 0.00 0.00 43.02 42.37 2h3k s PHE 102 CO -0.04 -0.61 1.08 -1.25 -0.05 0.00 0.00 175.22 174.34 2h3k s PRO 103 N -3.89 2.88 -0.33 1.99 0.04 -1.26 -2.01 135.00 132.42 2h3k s PRO 103 Ca 0.09 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.30 2h3k s PRO 103 Cb 0.04 -1.97 0.14 0.00 0.04 0.00 0.00 34.50 32.75 2h3k s PRO 103 CO -0.08 -1.16 0.29 0.14 0.04 0.00 0.00 177.00 176.23 2h3k s VAL 104 N -2.67 -0.26 0.40 -0.36 -7.23 -1.18 -4.87 120.40 104.23 2h3k s VAL 104 Ca 0.62 -0.87 0.01 0.00 -1.81 0.00 0.00 61.98 59.93 2h3k s VAL 104 Cb -0.17 -0.90 -0.02 0.00 0.56 0.00 0.00 36.38 35.85 2h3k s VAL 104 CO 0.47 -0.62 0.61 -0.55 -0.31 0.00 0.00 175.10 174.70 2h3k s SER 105 N 1.83 6.05 -1.52 4.85 0.15 -1.26 -4.28 113.70 119.52 2h3k s SER 105 Ca 0.13 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.13 2h3k s SER 105 Cb -0.16 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 2h3k s SER 105 CO -0.19 -0.51 0.00 -0.67 1.20 0.00 0.00 173.24 173.07 2h3k n ASP 106 N -1.94 -4.79 -1.89 5.45 2.03 -1.26 -2.14 116.55 112.02 2h3k n ASP 106 Ca -0.01 0.22 -0.17 0.00 0.52 0.00 0.00 54.79 55.35 2h3k n ASP 106 Cb 0.57 -3.76 -0.01 0.00 -0.72 0.00 0.00 41.12 37.20 2h3k n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2h3k n GLY 107 N -1.05 -0.17 2.76 0.27 0.00 -1.22 -4.81 105.19 100.96 2h3k n GLY 107 Ca -0.17 -0.17 -0.50 0.00 0.00 0.00 0.00 46.02 45.18 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 0.09 2.61 -1.04 -0.91 -2.45 114.28 108.69 2h3k n THR 108 Ca -0.20 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.82 2h3k n THR 108 Cb 0.65 -0.33 -0.02 0.00 -1.82 0.00 0.00 70.33 68.81 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 2.76 4.92 -3.97 -2.82 7.27 -1.26 -2.85 117.38 121.44 2h3k n GLN 109 Ca 0.22 -0.00 -0.18 0.00 0.07 0.00 0.00 57.00 57.11 2h3k n GLN 109 Cb -0.03 -0.71 -0.16 0.00 2.41 0.00 0.00 30.24 31.75 2h3k n GLN 109 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2h3k s GLU 110 N -1.43 0.42 -0.02 3.69 2.12 -1.26 0.12 118.70 122.33 2h3k s GLU 110 Ca 0.01 0.04 -0.01 0.00 0.36 0.00 0.00 54.97 55.37 2h3k s GLU 110 Cb 0.02 -0.58 0.02 0.00 0.26 0.00 0.00 34.13 33.85 2h3k s GLU 110 CO 0.10 -0.13 0.05 -0.48 -0.54 0.00 0.00 175.26 174.26 2h3k s LEU 111 N 1.05 1.38 -0.25 2.70 2.34 -0.99 -4.72 118.68 120.20 2h3k s LEU 111 Ca -0.09 0.10 -0.25 0.00 0.06 0.00 0.00 54.13 53.94 2h3k s LEU 111 Cb -0.14 0.09 -0.00 0.00 -0.56 0.00 0.00 46.19 45.58 2h3k s LEU 111 CO -0.01 -0.08 0.87 -0.54 -1.06 0.00 0.00 176.35 175.52 2h3k s LYS 112 N 0.60 4.17 0.28 1.48 3.01 0.16 -2.78 119.74 126.65 2h3k s LYS 112 Ca -0.05 0.97 -0.07 0.00 -1.01 0.00 0.00 55.97 55.82 2h3k s LYS 112 Cb -0.07 -3.66 -0.06 0.00 -1.01 0.00 0.00 37.83 33.04 2h3k s LYS 112 CO -0.02 -0.57 0.57 0.42 0.51 0.00 0.00 175.35 176.26 2h3k s ILE 113 N 2.95 4.98 -0.13 2.17 1.01 -0.67 0.06 121.20 131.57 2h3k s ILE 113 Ca 0.36 0.23 -0.03 0.00 0.00 0.00 0.00 60.65 61.22 2h3k s ILE 113 Cb -0.15 -3.69 0.05 0.00 0.01 0.00 0.00 42.46 38.67 2h3k s ILE 113 CO 0.08 -0.25 0.04 -0.69 0.00 0.00 0.00 174.94 174.12 2h3k s VAL 114 N -2.02 0.21 0.19 2.92 1.01 -1.17 -2.70 120.40 118.84 2h3k s VAL 114 Ca 0.46 -0.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.10 2h3k s VAL 114 Cb -0.11 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.70 2h3k s VAL 114 CO 0.27 -0.03 0.81 -0.55 0.00 0.00 0.00 175.10 175.59 2h3k s SER 115 N 2.02 -0.29 -0.17 3.32 0.15 -1.14 -0.98 113.70 116.61 2h3k s SER 115 Ca 0.02 -0.38 -0.05 0.00 0.70 0.00 0.00 55.95 56.24 2h3k s SER 115 Cb -0.15 0.59 0.08 0.00 -1.71 0.00 0.00 66.02 64.83 2h3k s SER 115 CO -0.07 -1.06 0.32 -0.44 1.20 0.00 0.00 173.24 173.19 2h3k s SER 116 N -2.85 0.24 0.33 5.45 0.01 -1.26 0.45 113.70 116.07 2h3k s SER 116 Ca 0.09 0.61 0.09 0.00 1.31 0.00 0.00 55.95 58.05 2h3k s SER 116 Cb -0.03 0.91 -0.05 0.00 0.21 0.00 0.00 66.02 67.05 2h3k s SER 116 CO 0.01 -0.25 0.03 0.42 0.41 0.00 0.00 173.24 173.86 2h3k s THR 117 N 2.48 2.75 -0.07 1.44 -4.23 -0.45 -3.06 115.64 114.50 2h3k s THR 117 Ca 0.02 -1.93 -0.04 0.00 -1.18 0.00 0.00 61.69 58.57 2h3k s THR 117 Cb -0.13 -2.82 0.03 0.00 1.34 0.00 0.00 72.50 70.92 2h3k s THR 117 CO -0.11 -0.21 0.16 -1.58 -0.54 0.00 0.00 174.62 172.34 2h3k s GLN 118 N -3.73 0.13 -0.17 3.99 0.74 -1.12 -1.41 119.66 118.09 2h3k s GLN 118 Ca 0.35 0.35 0.17 0.00 0.05 0.00 0.00 55.36 56.28 2h3k s GLN 118 Cb -0.01 -0.11 0.42 0.00 1.10 0.00 0.00 33.01 34.41 2h3k s GLN 118 CO 0.20 -0.13 1.30 -0.89 -0.55 0.00 0.00 175.29 175.21 2h3k n ILE 119 N 3.93 2.13 -3.76 -2.34 -0.00 -1.26 -4.70 119.36 113.36 2h3k n ILE 119 Ca -0.23 -2.18 -0.25 0.00 -0.00 0.00 0.00 62.75 60.08 2h3k n ILE 119 Cb 0.53 -0.25 0.02 0.00 -0.00 0.00 0.00 39.64 39.94 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 -1.00 -2.20 -0.02 4.38 8.00 -1.26 -4.88 116.55 119.57 2h3k n ASP 120 Ca 0.20 -0.93 -0.02 0.00 0.71 0.00 0.00 54.79 54.74 2h3k n ASP 120 Cb 0.78 -3.57 -0.03 0.00 -0.02 0.00 0.00 41.12 38.28 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 -2.94 4.06 0.00 -2.24 -0.08 -1.26 -5.06 116.55 109.04 2h3k n ASP 121 Ca -0.24 -0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.04 2h3k n ASP 121 Cb 0.66 0.50 0.00 0.00 2.34 0.00 0.00 41.12 44.62 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 2.84 -1.42 3.21 0.27 0.00 -1.26 -5.12 105.19 103.72 2h3k n GLY 122 Ca -0.06 0.53 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 2.70 0.21 1.61 2.12 -1.26 -5.10 118.70 118.99 2h3k s GLU 123 Ca 0.00 -0.83 -0.31 0.00 0.36 0.00 0.00 54.97 54.20 2h3k s GLU 123 Cb 0.00 -2.13 -0.10 0.00 0.26 0.00 0.00 34.13 32.16 2h3k s GLU 123 CO 0.00 0.23 1.49 -2.00 -0.54 0.00 0.00 175.26 174.44 2h3k s GLU 124 N 0.21 4.24 -0.83 4.30 2.12 -1.26 -4.88 118.70 122.60 2h3k s GLU 124 Ca -0.13 2.33 -0.22 0.00 0.36 0.00 0.00 54.97 57.31 2h3k s GLU 124 Cb -0.16 -3.13 0.09 0.00 0.26 0.00 0.00 34.13 31.19 2h3k s GLU 124 CO 0.07 -0.50 1.14 0.99 -0.54 0.00 0.00 175.26 176.41 2h3k s THR 125 N 0.47 4.34 -0.45 -1.70 2.01 -0.50 -4.97 115.64 114.83 2h3k s THR 125 Ca 0.64 -0.80 -0.16 0.00 0.31 0.00 0.00 61.69 61.67 2h3k s THR 125 Cb -0.43 -4.81 0.05 0.00 0.01 0.00 0.00 72.50 67.32 2h3k s THR 125 CO 0.38 -1.60 0.42 0.21 -0.69 0.00 0.00 174.62 173.35 2h3k s ASN 126 N 3.90 6.16 -1.00 3.53 2.47 -1.26 -1.35 114.94 127.40 2h3k s ASN 126 Ca 0.31 -0.99 -0.23 0.00 0.42 0.00 0.00 52.86 52.37 2h3k s ASN 126 Cb -0.09 -2.21 0.05 0.00 -1.45 0.00 0.00 41.25 37.56 2h3k s ASN 126 CO -0.00 -0.63 1.42 -0.31 -3.72 0.00 0.00 177.10 173.87 2h3k s TYR 127 N 1.94 2.54 0.24 0.43 2.02 0.17 -4.79 117.35 119.91 2h3k s TYR 127 Ca 0.08 -0.82 0.19 0.00 -0.37 0.00 0.00 57.07 56.15 2h3k s TYR 127 Cb -0.20 -4.68 0.81 0.00 -0.40 0.00 0.00 41.96 37.49 2h3k s TYR 127 CO 0.10 -1.93 1.80 -0.44 -1.57 0.00 0.00 175.55 173.52 2h3k h ASP 128 N 9.77 0.00 -1.54 2.29 5.19 -1.90 -3.02 116.42 127.21 2h3k h ASP 128 Ca 0.17 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.50 2h3k h ASP 128 Cb 1.01 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 40.26 2h3k h ASP 128 CO 1.41 0.34 -0.42 -0.47 -3.12 0.00 0.00 179.24 176.97 2h3k s TYR 129 N -3.80 -1.16 -0.35 4.55 5.04 -1.26 -4.88 117.35 115.49 2h3k s TYR 129 Ca -0.01 1.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 2h3k s TYR 129 Cb 0.12 0.17 0.09 0.00 0.35 0.00 0.00 41.96 42.69 2h3k s TYR 129 CO 0.68 -0.84 0.09 0.99 -1.34 0.00 0.00 175.55 175.13 2h3k s THR 130 N 2.66 2.81 -0.89 4.34 2.01 -1.10 -4.19 115.64 121.28 2h3k s THR 130 Ca 0.14 -2.00 -0.25 0.00 0.31 0.00 0.00 61.69 59.90 2h3k s THR 130 Cb -0.14 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 69.49 2h3k s THR 130 CO -0.21 -0.50 1.58 -0.75 -0.69 0.00 0.00 174.62 174.05 2h3k s LYS 131 N 1.08 3.16 -0.49 4.92 2.20 -0.76 -1.67 119.74 128.18 2h3k s LYS 131 Ca 0.05 -0.56 -0.18 0.00 -0.36 0.00 0.00 55.97 54.93 2h3k s LYS 131 Cb -0.21 -4.94 0.06 0.00 -1.51 0.00 0.00 37.83 31.23 2h3k s LYS 131 CO -0.05 -2.53 0.55 -1.17 -0.36 0.00 0.00 175.35 171.79 2h3k s LEU 132 N 6.79 5.11 -0.37 5.43 0.20 -1.12 -2.61 118.68 132.11 2h3k s LEU 132 Ca 0.52 -0.98 -0.15 0.00 0.69 0.00 0.00 54.13 54.21 2h3k s LEU 132 Cb -0.05 -2.38 -0.00 0.00 -0.43 0.00 0.00 46.19 43.33 2h3k s LEU 132 CO 0.01 -0.80 0.32 -0.69 -0.29 0.00 0.00 176.35 174.89 2h3k s VAL 133 N 2.35 5.22 0.99 1.68 1.01 -0.74 -2.35 120.40 128.55 2h3k s VAL 133 Ca 0.12 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 2h3k s VAL 133 Cb -0.20 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.38 2h3k s VAL 133 CO 0.11 -0.17 0.29 0.49 0.00 0.00 0.00 175.10 175.82 2h3k n PHE 134 N 5.27 -1.54 0.18 5.22 3.72 0.31 0.21 117.46 130.84 2h3k n PHE 134 Ca -0.10 0.21 0.04 0.00 -0.05 0.00 0.00 57.45 57.55 2h3k n PHE 134 Cb 0.49 -1.73 0.30 0.00 -0.94 0.00 0.00 39.48 37.60 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 -1.66 0.99 -2.83 4.37 0.00 -1.59 -3.43 119.26 115.12 2h3k h ALA 135 Ca -0.46 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.01 2h3k h ALA 135 Cb 1.30 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 2h3k h ALA 135 CO 0.35 0.53 -0.12 0.15 0.00 0.00 0.00 179.25 180.16 2h3k s LYS 136 N -3.60 1.55 0.25 0.00 1.02 -1.26 -5.02 119.74 112.68 2h3k s LYS 136 Ca -0.00 -1.25 -0.30 0.00 0.02 0.00 0.00 55.97 54.44 2h3k s LYS 136 Cb 0.11 0.47 -0.09 0.00 -0.52 0.00 0.00 37.83 37.80 2h3k s LYS 136 CO 0.70 -0.64 1.17 -1.25 -0.92 0.00 0.00 175.35 174.41 2h3k s PRO 137 N -4.02 4.54 -0.83 -1.68 0.04 -1.26 -4.66 135.00 127.12 2h3k s PRO 137 Ca 0.22 1.90 -0.17 0.00 0.04 0.00 0.00 61.00 63.00 2h3k s PRO 137 Cb -0.01 -3.19 0.16 0.00 0.04 0.00 0.00 34.50 31.51 2h3k s PRO 137 CO 0.09 0.03 0.92 0.42 0.04 0.00 0.00 177.00 178.50 2h3k s ILE 138 N -0.74 5.09 -0.14 0.56 -1.09 -1.03 -4.92 121.20 118.93 2h3k s ILE 138 Ca 0.48 -1.83 -0.12 0.00 -2.23 0.00 0.00 60.65 56.96 2h3k s ILE 138 Cb -0.34 -4.61 -0.05 0.00 -1.58 0.00 0.00 42.46 35.89 2h3k s ILE 138 CO 0.41 -1.26 0.25 -0.31 -1.23 0.00 0.00 174.94 172.80 2h3k s TYR 139 N 1.71 3.51 0.34 3.97 2.02 -1.26 -3.46 117.35 124.18 2h3k s TYR 139 Ca 0.23 0.59 -0.29 0.00 -0.37 0.00 0.00 57.07 57.24 2h3k s TYR 139 Cb -0.10 -2.23 -0.12 0.00 -0.40 0.00 0.00 41.96 39.11 2h3k s TYR 139 CO -0.07 0.39 1.39 -1.71 -1.57 0.00 0.00 175.55 173.98 2h3k n ASN 140 N 3.04 3.15 -4.09 2.29 4.05 -1.26 -4.91 115.26 117.53 2h3k n ASN 140 Ca -0.14 1.20 -0.36 0.00 0.45 0.00 0.00 54.58 55.73 2h3k n ASN 140 Cb 0.53 -1.53 -0.10 0.00 1.23 0.00 0.00 39.78 39.90 2h3k n ASN 140 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 2h3k s ASP 141 N -0.12 5.19 0.49 1.20 1.01 -1.26 -4.90 116.67 118.28 2h3k s ASP 141 Ca 0.57 -2.60 0.28 0.00 0.71 0.00 0.00 52.55 51.52 2h3k s ASP 141 Cb -0.54 -1.83 1.02 0.00 1.01 0.00 0.00 42.92 42.57 2h3k s ASP 141 CO 0.60 -0.42 1.86 1.55 0.21 0.00 0.00 175.17 178.97 2h3k h PRO 142 N 7.33 0.00 0.00 8.23 0.13 -1.92 -3.28 132.00 142.49 2h3k h PRO 142 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2h3k h PRO 142 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2h3k h PRO 142 CO 0.71 0.09 -0.90 0.45 -0.23 0.00 0.00 178.00 178.12 2h3k n SER 143 N -3.20 4.45 0.00 1.44 2.88 -1.26 -5.15 113.62 112.78 2h3k n SER 143 Ca 0.01 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2h3k n SER 143 Cb 0.40 1.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.86 2h3k n SER 143 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99