#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3k n ASP 2 N 0.00 0.92 -3.70 0.00 5.68 -1.26 -5.07 116.55 113.12 2h3k n ASP 2 Ca 0.00 -0.54 -0.16 0.00 -0.50 0.00 0.00 54.79 53.59 2h3k n ASP 2 Cb 0.00 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 39.83 2h3k n ASP 2 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 2h3k s GLU 3 N -0.63 0.04 0.06 0.11 2.12 -1.26 -5.13 118.70 114.02 2h3k s GLU 3 Ca 0.00 0.48 -0.31 0.00 0.36 0.00 0.00 54.97 55.50 2h3k s GLU 3 Cb 0.00 -0.25 -0.06 0.00 0.26 0.00 0.00 34.13 34.08 2h3k s GLU 3 CO 0.00 -0.26 1.20 -1.12 -0.54 0.00 0.00 175.26 174.54 2h3k s SER 4 N 1.88 7.08 0.48 -1.70 0.01 -1.26 -4.65 113.70 115.54 2h3k s SER 4 Ca -0.01 2.01 0.19 0.00 1.31 0.00 0.00 55.95 59.45 2h3k s SER 4 Cb -0.12 -2.58 1.21 0.00 0.21 0.00 0.00 66.02 64.75 2h3k s SER 4 CO -0.06 -0.47 2.00 0.25 0.41 0.00 0.00 173.24 175.38 2h3k h LEU 5 N 6.81 0.17 -0.35 2.44 5.85 -1.69 0.38 115.31 128.93 2h3k h LEU 5 Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2h3k h LEU 5 Cb 1.21 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2h3k h LEU 5 CO 0.81 0.10 0.00 2.29 -0.34 0.00 0.00 178.44 181.30 2h3k n LYS 6 N -4.44 0.10 -0.00 1.25 -0.00 -1.22 -2.08 118.16 111.76 2h3k n LYS 6 Ca 0.08 0.33 0.03 0.00 -0.00 0.00 0.00 58.31 58.76 2h3k n LYS 6 Cb 0.45 -1.69 -0.04 0.00 -0.00 0.00 0.00 35.03 33.74 2h3k n LYS 6 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2h3k n ASP 7 N -1.87 3.16 0.08 -5.58 -0.08 0.11 -4.59 116.55 107.78 2h3k n ASP 7 Ca 0.03 -0.09 0.09 0.00 -1.51 0.00 0.00 54.79 53.30 2h3k n ASP 7 Cb 0.20 1.23 -0.02 0.00 2.34 0.00 0.00 41.12 44.87 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 -1.62 2.39 0.27 -1.67 0.00 0.16 -3.87 120.51 116.17 2h3k n ALA 8 Ca -0.01 -0.31 0.17 0.00 0.00 0.00 0.00 53.44 53.29 2h3k n ALA 8 Cb 0.14 -1.06 0.65 0.00 0.00 0.00 0.00 19.45 19.18 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 0.01 -2.40 0.00 -0.00 -1.66 -3.40 117.51 110.06 2h3k h ILE 9 Ca -0.04 -0.55 -0.59 0.00 -0.00 0.00 0.00 64.86 63.68 2h3k h ILE 9 Cb 1.14 1.55 -0.11 0.00 -0.00 0.00 0.00 36.82 39.39 2h3k h ILE 9 CO 0.01 0.00 0.86 -0.75 -0.00 0.00 0.00 178.15 178.28 2h3k s LYS 10 N -3.64 3.20 -0.25 0.16 2.47 -1.25 -4.79 119.74 115.64 2h3k s LYS 10 Ca 0.02 -0.62 -0.28 0.00 -1.56 0.00 0.00 55.97 53.52 2h3k s LYS 10 Cb 0.09 -4.32 0.16 0.00 -1.46 0.00 0.00 37.83 32.30 2h3k s LYS 10 CO 0.55 -2.00 1.22 0.34 0.16 0.00 0.00 175.35 175.62 2h3k s ASP 11 N 3.80 -0.20 0.31 1.43 2.15 -1.26 -5.01 116.67 117.88 2h3k s ASP 11 Ca 0.30 0.29 0.15 0.00 0.43 0.00 0.00 52.55 53.72 2h3k s ASP 11 Cb -0.11 0.26 0.43 0.00 -0.30 0.00 0.00 42.92 43.20 2h3k s ASP 11 CO 0.10 -0.14 1.62 1.55 -0.17 0.00 0.00 175.17 178.13 2h3k h PRO 12 N 2.75 0.00 0.14 4.34 0.13 -1.98 -2.85 132.00 134.54 2h3k h PRO 12 Ca -0.18 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.66 2h3k h PRO 12 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2h3k h PRO 12 CO 0.22 0.52 -1.37 0.00 -0.23 0.00 0.00 178.00 177.14 2h3k h ALA 13 N 1.48 0.13 -0.36 -0.56 0.00 -1.98 -3.27 119.26 114.70 2h3k h ALA 13 Ca -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2h3k h ALA 13 Cb 1.09 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2h3k h ALA 13 CO 0.07 1.00 0.00 1.28 0.00 0.00 0.00 179.25 181.60 2h3k n LEU 14 N -3.52 3.97 0.12 0.00 7.99 -1.21 -3.88 117.00 120.45 2h3k n LEU 14 Ca -0.12 -2.01 -0.24 0.00 -0.01 0.00 0.00 56.01 53.63 2h3k n LEU 14 Cb 1.04 -0.62 -0.16 0.00 -0.11 0.00 0.00 43.42 43.58 2h3k n LEU 14 CO 0.53 0.49 -0.36 -0.08 -1.51 0.00 0.00 177.39 176.46 2h3k h GLU 15 N 2.50 0.48 0.00 3.23 4.81 -1.55 0.84 114.58 124.90 2h3k h GLU 15 Ca 0.00 -0.83 -0.20 0.00 -0.13 0.00 0.00 59.36 58.20 2h3k h GLU 15 Cb 1.43 0.31 -0.14 0.00 0.63 0.00 0.00 28.75 30.98 2h3k h GLU 15 CO 0.31 1.39 -0.28 -1.71 -0.73 0.00 0.00 179.01 177.99 2h3k n ASN 16 N -3.66 -1.95 -3.46 1.04 2.85 -1.26 -3.61 115.26 105.21 2h3k n ASN 16 Ca -0.20 -2.89 0.00 0.00 -0.11 0.00 0.00 54.58 51.38 2h3k n ASN 16 Cb 1.10 1.47 0.00 0.00 1.24 0.00 0.00 39.78 43.59 2h3k n ASN 16 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2h3k n LYS 17 N 0.02 1.13 -3.55 1.20 4.81 -1.25 -5.02 118.16 115.50 2h3k n LYS 17 Ca -0.01 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.15 2h3k n LYS 17 Cb 0.75 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.69 2h3k n LYS 17 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2h3k s GLU 18 N 0.00 1.32 -1.14 1.64 -1.05 -1.26 -5.00 118.70 113.20 2h3k s GLU 18 Ca 0.00 -2.39 -0.07 0.00 -0.15 0.00 0.00 54.97 52.36 2h3k s GLU 18 Cb 0.00 -1.99 -0.07 0.00 -0.44 0.00 0.00 34.13 31.63 2h3k s GLU 18 CO 0.00 -1.34 2.46 -2.39 0.95 0.00 0.00 175.26 174.94 2h3k n HIS 19 N 2.72 1.70 -2.45 4.83 1.44 -1.26 -3.99 115.22 118.21 2h3k n HIS 19 Ca 0.25 -2.35 0.04 0.00 -2.01 0.00 0.00 57.72 53.65 2h3k n HIS 19 Cb 0.43 -1.96 0.02 0.00 0.12 0.00 0.00 29.99 28.60 2h3k n HIS 19 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2h3k n ASP 20 N 3.91 0.89 -4.66 4.39 9.92 -1.26 -5.07 116.55 124.66 2h3k n ASP 20 Ca 0.57 -2.00 -0.38 0.00 -0.53 0.00 0.00 54.79 52.45 2h3k n ASP 20 Cb 0.19 -0.28 -0.08 0.00 -0.64 0.00 0.00 41.12 40.30 2h3k n ASP 20 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2h3k s ILE 21 N 0.00 5.24 0.00 0.53 1.01 -1.26 -4.94 121.20 121.79 2h3k s ILE 21 Ca 0.31 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.51 2h3k s ILE 21 Cb 0.35 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 39.16 2h3k s ILE 21 CO -0.15 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.67 2h3k n GLY 22 N 4.06 0.54 3.78 6.18 0.00 -1.26 -5.00 105.19 113.49 2h3k n GLY 22 Ca -0.10 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.21 2.09 -0.03 1.61 0.04 -1.26 -5.06 135.00 131.18 2h3k s PRO 23 Ca 0.00 0.84 -0.29 0.00 0.04 0.00 0.00 61.00 61.59 2h3k s PRO 23 Cb 0.00 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.74 2h3k s PRO 23 CO 0.00 -1.67 1.30 -0.98 0.04 0.00 0.00 177.00 175.69 2h3k s ARG 24 N -5.04 0.35 0.09 4.56 1.70 -1.26 -3.98 118.95 115.37 2h3k s ARG 24 Ca 0.61 -0.21 -0.01 0.00 -0.47 0.00 0.00 55.73 55.64 2h3k s ARG 24 Cb -0.16 0.10 0.01 0.00 -0.57 0.00 0.00 34.95 34.33 2h3k s ARG 24 CO 0.55 -0.16 0.14 0.39 -1.08 0.00 0.00 175.30 175.14 2h3k n GLU 25 N -0.75 0.20 -4.65 3.89 1.02 0.38 -4.93 120.64 115.79 2h3k n GLU 25 Ca -0.01 -0.63 -0.24 0.00 -0.02 0.00 0.00 57.16 56.26 2h3k n GLU 25 Cb 0.60 0.66 -0.16 0.00 -0.02 0.00 0.00 31.44 32.52 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 -2.14 1.45 0.00 3.49 -1.52 -1.26 -1.81 119.66 117.87 2h3k s GLN 26 Ca 0.06 -0.48 0.00 0.00 -1.95 0.00 0.00 55.36 52.99 2h3k s GLN 26 Cb -0.01 -1.29 -0.00 0.00 -0.22 0.00 0.00 33.01 31.50 2h3k s GLN 26 CO 0.04 0.19 -0.01 0.08 -0.25 0.00 0.00 175.29 175.34 2h3k s VAL 27 N 0.11 0.05 0.79 1.09 1.01 -0.17 -4.88 120.40 118.40 2h3k s VAL 27 Ca -0.04 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 2h3k s VAL 27 Cb -0.10 -0.07 0.10 0.00 0.00 0.00 0.00 36.38 36.30 2h3k s VAL 27 CO 0.01 -0.05 1.13 0.21 0.00 0.00 0.00 175.10 176.40 2h3k s ASN 28 N -0.19 4.34 -0.09 3.32 2.47 -1.26 -0.51 114.94 123.03 2h3k s ASN 28 Ca -0.02 0.46 -0.06 0.00 0.42 0.00 0.00 52.86 53.67 2h3k s ASN 28 Cb -0.01 -0.92 0.03 0.00 -1.45 0.00 0.00 41.25 38.90 2h3k s ASN 28 CO -0.00 -1.94 0.21 0.72 -3.72 0.00 0.00 177.10 172.37 2h3k s PHE 29 N -3.48 -0.26 -0.36 0.43 -0.12 -1.26 -0.39 117.98 112.54 2h3k s PHE 29 Ca 0.64 0.63 -0.15 0.00 -0.05 0.00 0.00 56.93 58.00 2h3k s PHE 29 Cb -0.09 0.04 -0.00 0.00 -0.63 0.00 0.00 43.02 42.34 2h3k s PHE 29 CO 0.48 -0.17 0.35 -0.65 -0.05 0.00 0.00 175.22 175.18 2h3k s GLN 30 N 0.73 3.40 -0.26 1.99 1.11 0.18 -4.91 119.66 121.89 2h3k s GLN 30 Ca -0.05 -0.59 -0.24 0.00 0.01 0.00 0.00 55.36 54.49 2h3k s GLN 30 Cb -0.07 -3.85 -0.00 0.00 -1.01 0.00 0.00 33.01 28.08 2h3k s GLN 30 CO -0.04 -0.59 0.83 -0.51 0.01 0.00 0.00 175.29 174.99 2h3k s LEU 31 N 1.95 4.07 -0.11 2.90 1.43 -1.26 -0.76 118.68 126.90 2h3k s LEU 31 Ca 0.10 0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 54.12 2h3k s LEU 31 Cb -0.17 -3.18 0.04 0.00 0.03 0.00 0.00 46.19 42.91 2h3k s LEU 31 CO 0.12 -0.56 0.01 -0.76 0.23 0.00 0.00 176.35 175.39 2h3k s LEU 32 N 2.91 0.77 0.00 1.79 1.43 -0.66 -4.27 118.68 120.65 2h3k s LEU 32 Ca 0.35 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2h3k s LEU 32 Cb -0.15 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.58 2h3k s LEU 32 CO 0.09 -0.23 0.00 -0.67 0.23 0.00 0.00 176.35 175.77 2h3k n ASP 33 N 5.12 0.00 -1.28 2.29 2.03 -1.24 -0.84 116.55 122.63 2h3k n ASP 33 Ca -0.08 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.27 2h3k n ASP 33 Cb 0.49 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 41.12 2h3k n ASP 33 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2h3k n LYS 34 N 0.00 3.19 -0.25 -0.67 4.81 -1.26 -3.83 118.16 120.15 2h3k n LYS 34 Ca 0.00 -1.78 0.02 0.00 -0.87 0.00 0.00 58.31 55.68 2h3k n LYS 34 Cb 0.00 -1.93 0.03 0.00 0.02 0.00 0.00 35.03 33.15 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 0.36 0.61 -2.72 3.14 3.02 -1.26 -4.99 115.26 113.42 2h3k n ASN 35 Ca 0.16 -1.95 -0.20 0.00 -0.03 0.00 0.00 54.58 52.56 2h3k n ASN 35 Cb 0.78 -0.17 0.01 0.00 -0.61 0.00 0.00 39.78 39.78 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 -0.30 -5.24 -4.51 6.41 4.05 -1.25 -4.96 115.26 109.45 2h3k n ASN 36 Ca 0.03 -0.10 -0.34 0.00 0.45 0.00 0.00 54.58 54.62 2h3k n ASN 36 Cb 0.60 -4.33 -0.12 0.00 1.23 0.00 0.00 39.78 37.16 2h3k n ASN 36 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2h3k s GLU 37 N -5.37 3.46 0.16 1.20 0.41 -1.26 -4.96 118.70 112.34 2h3k s GLU 37 Ca 0.14 -0.53 -0.22 0.00 -0.41 0.00 0.00 54.97 53.95 2h3k s GLU 37 Cb -0.07 -2.83 -0.08 0.00 -1.78 0.00 0.00 34.13 29.38 2h3k s GLU 37 CO 0.18 0.34 0.71 -0.08 -0.49 0.00 0.00 175.26 175.91 2h3k s THR 38 N 0.08 4.52 -0.31 3.63 -1.32 -1.26 -3.68 115.64 117.31 2h3k s THR 38 Ca -0.01 1.44 -0.07 0.00 -1.21 0.00 0.00 61.69 61.84 2h3k s THR 38 Cb -0.14 -3.99 0.01 0.00 -1.51 0.00 0.00 72.50 66.88 2h3k s THR 38 CO 0.03 0.43 0.10 -1.10 -2.21 0.00 0.00 174.62 171.86 2h3k s GLN 39 N -1.41 3.05 -0.01 7.08 -0.21 -1.26 -4.91 119.66 121.98 2h3k s GLN 39 Ca 0.36 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.87 2h3k s GLN 39 Cb -0.20 -3.42 0.02 0.00 1.00 0.00 0.00 33.01 30.41 2h3k s GLN 39 CO 0.23 -0.48 0.88 2.48 -2.12 0.00 0.00 175.29 176.28 2h3k n TYR 40 N 4.88 0.00 0.06 0.91 4.11 -1.26 -4.63 117.16 121.23 2h3k n TYR 40 Ca -0.14 -0.39 0.00 0.00 -0.00 0.00 0.00 57.90 57.37 2h3k n TYR 40 Cb 0.48 -0.04 0.00 0.00 -0.00 0.00 0.00 39.34 39.77 2h3k n TYR 40 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.86 177.84 2h3k n TYR 41 N -0.42 -0.75 0.22 -3.48 9.36 -1.26 -4.82 117.16 116.00 2h3k n TYR 41 Ca 0.01 0.13 0.08 0.00 3.32 0.00 0.00 57.90 61.45 2h3k n TYR 41 Cb 0.36 0.26 0.50 0.00 -0.63 0.00 0.00 39.34 39.83 2h3k n TYR 41 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2h3k h HIS 42 N 0.00 0.00 -1.08 2.98 2.76 -1.99 -3.38 115.15 114.44 2h3k h HIS 42 Ca 0.00 0.00 -0.49 0.00 -2.20 0.00 0.00 60.37 57.68 2h3k h HIS 42 Cb 0.00 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 28.88 2h3k h HIS 42 CO 0.00 0.26 1.21 0.12 -1.30 0.00 0.00 177.93 178.22 2h3k s PHE 43 N -3.94 2.24 -0.74 5.26 5.36 -1.26 -4.90 117.98 120.00 2h3k s PHE 43 Ca -0.01 -0.25 -0.04 0.00 -0.96 0.00 0.00 56.93 55.66 2h3k s PHE 43 Cb 0.12 -4.46 0.19 0.00 -0.34 0.00 0.00 43.02 38.53 2h3k s PHE 43 CO 0.65 -1.90 0.59 0.12 -1.46 0.00 0.00 175.22 173.23 2h3k s PHE 44 N 6.87 3.60 0.00 10.12 5.36 -1.26 -4.82 117.98 137.85 2h3k s PHE 44 Ca 0.54 -2.69 0.00 0.00 -0.96 0.00 0.00 56.93 53.82 2h3k s PHE 44 Cb -0.03 -3.32 0.00 0.00 -0.34 0.00 0.00 43.02 39.33 2h3k s PHE 44 CO -0.04 -0.84 0.00 -1.13 -1.46 0.00 0.00 175.22 171.75 2h3k n SER 45 N 3.23 0.00 -4.63 6.13 3.41 -1.26 -4.39 113.62 116.11 2h3k n SER 45 Ca 0.13 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.43 2h3k n SER 45 Cb 0.39 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.52 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 2.15 0.00 -1.33 1.09 -1.26 0.16 121.20 122.01 2h3k s ILE 46 Ca 0.00 0.05 0.00 0.00 -1.10 0.00 0.00 60.65 59.60 2h3k s ILE 46 Cb 0.00 -2.13 0.00 0.00 -1.06 0.00 0.00 42.46 39.27 2h3k s ILE 46 CO 0.00 -0.06 0.00 1.17 -0.10 0.00 0.00 174.94 175.95 2h3k n LYS 47 N -4.37 0.00 -2.86 2.79 4.81 -1.06 -4.78 118.16 112.68 2h3k n LYS 47 Ca 0.09 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.32 2h3k n LYS 47 Cb 0.53 -0.08 0.02 0.00 0.02 0.00 0.00 35.03 35.52 2h3k n LYS 47 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2h3k s ASP 48 N -2.74 5.57 0.30 3.14 1.11 -1.26 -5.06 116.67 117.74 2h3k s ASP 48 Ca 0.00 0.06 -0.29 0.00 0.18 0.00 0.00 52.55 52.50 2h3k s ASP 48 Cb 0.00 -1.14 -0.09 0.00 1.07 0.00 0.00 42.92 42.76 2h3k s ASP 48 CO 0.00 -0.89 1.12 -2.16 1.18 0.00 0.00 175.17 174.42 2h3k s PRO 49 N -4.61 4.53 1.12 8.23 0.04 -1.26 -4.55 135.00 138.50 2h3k s PRO 49 Ca 0.53 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 63.20 2h3k s PRO 49 Cb -0.10 -3.08 0.11 0.00 0.04 0.00 0.00 34.50 31.47 2h3k s PRO 49 CO 0.37 0.10 0.05 0.00 0.04 0.00 0.00 177.00 177.56 2h3k n ALA 50 N 0.95 -4.09 -3.72 8.56 0.00 0.34 -4.62 120.51 117.93 2h3k n ALA 50 Ca -0.00 -1.27 -0.20 0.00 0.00 0.00 0.00 53.44 51.96 2h3k n ALA 50 Cb 0.45 -1.54 -0.17 0.00 0.00 0.00 0.00 19.45 18.19 2h3k n ALA 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2h3k s ASP 51 N -1.86 1.10 0.10 0.00 -1.08 0.20 -1.00 116.67 114.13 2h3k s ASP 51 Ca 0.56 -0.05 -0.24 0.00 -0.52 0.00 0.00 52.55 52.30 2h3k s ASP 51 Cb -0.12 -0.34 -0.07 0.00 -1.46 0.00 0.00 42.92 40.93 2h3k s ASP 51 CO 0.66 -0.15 0.74 -0.69 0.52 0.00 0.00 175.17 176.24 2h3k s VAL 52 N 1.56 4.58 -0.39 1.11 1.01 -0.75 0.99 120.40 128.51 2h3k s VAL 52 Ca -0.02 1.59 0.04 0.00 0.00 0.00 0.00 61.98 63.59 2h3k s VAL 52 Cb -0.13 -4.09 0.11 0.00 0.00 0.00 0.00 36.38 32.27 2h3k s VAL 52 CO -0.03 0.46 0.11 -0.31 0.00 0.00 0.00 175.10 175.32 2h3k s TYR 53 N -0.66 3.62 -0.61 5.22 2.02 0.44 -0.47 117.35 126.91 2h3k s TYR 53 Ca 0.36 -3.04 -0.27 0.00 -0.37 0.00 0.00 57.07 53.74 2h3k s TYR 53 Cb -0.21 -2.91 0.03 0.00 -0.40 0.00 0.00 41.96 38.47 2h3k s TYR 53 CO 0.24 -0.90 1.16 0.71 -1.57 0.00 0.00 175.55 175.18 2h3k s TYR 54 N 0.60 2.58 0.00 2.71 2.02 -1.26 -1.09 117.35 122.92 2h3k s TYR 54 Ca 0.12 0.22 0.00 0.00 -0.37 0.00 0.00 57.07 57.05 2h3k s TYR 54 Cb -0.21 -4.45 0.00 0.00 -0.40 0.00 0.00 41.96 36.90 2h3k s TYR 54 CO -0.06 -1.64 0.00 0.25 -1.57 0.00 0.00 175.55 172.53 2h3k n THR 55 N 6.51 0.00 0.13 -0.71 -2.24 -1.24 -4.59 114.28 112.14 2h3k n THR 55 Ca 0.06 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.88 2h3k n THR 55 Cb 0.49 -0.94 0.21 0.00 -2.10 0.00 0.00 70.33 67.99 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 2.88 0.00 -0.78 2.85 -1.26 -4.58 118.16 117.27 2h3k n LYS 56 Ca 0.00 -1.67 0.00 0.00 -1.05 0.00 0.00 58.31 55.59 2h3k n LYS 56 Cb 0.00 -1.79 0.00 0.00 -0.65 0.00 0.00 35.03 32.59 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 0.42 0.00 -4.06 -1.58 4.76 -1.26 -5.07 118.16 111.37 2h3k n LYS 57 Ca 0.15 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.49 2h3k n LYS 57 Cb 0.68 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.76 2h3k n LYS 57 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2h3k s LYS 58 N -0.89 0.54 1.22 1.97 2.47 -1.26 -4.93 119.74 118.86 2h3k s LYS 58 Ca 0.00 -0.95 -0.17 0.00 -1.56 0.00 0.00 55.97 53.29 2h3k s LYS 58 Cb 0.00 -0.00 0.29 0.00 -1.46 0.00 0.00 37.83 36.66 2h3k s LYS 58 CO 0.00 -0.04 1.04 0.00 0.16 0.00 0.00 175.35 176.51 2h3k s ALA 59 N -2.54 0.02 -0.30 3.13 0.00 -1.26 -3.68 121.76 117.13 2h3k s ALA 59 Ca -0.03 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.34 2h3k s ALA 59 Cb -0.02 -3.03 0.18 0.00 0.00 0.00 0.00 23.12 20.25 2h3k s ALA 59 CO -0.04 -3.80 0.48 -1.21 0.00 0.00 0.00 175.76 171.19 2h3k s GLU 60 N -5.01 0.49 0.27 0.00 2.02 -0.25 -3.67 118.70 112.55 2h3k s GLU 60 Ca 0.69 0.24 -0.30 0.00 0.02 0.00 0.00 54.97 55.62 2h3k s GLU 60 Cb -0.16 -0.10 -0.09 0.00 0.10 0.00 0.00 34.13 33.88 2h3k s GLU 60 CO 0.59 -1.05 1.09 0.08 0.02 0.00 0.00 175.26 175.99 2h3k s VAL 61 N 2.59 3.55 -0.02 2.63 1.01 -0.52 -0.42 120.40 129.22 2h3k s VAL 61 Ca 0.10 1.54 0.04 0.00 0.00 0.00 0.00 61.98 63.66 2h3k s VAL 61 Cb -0.11 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 2h3k s VAL 61 CO -0.27 0.36 -0.15 -0.70 0.00 0.00 0.00 175.10 174.34 2h3k s GLU 62 N -1.33 1.32 0.29 2.72 2.12 0.28 -1.67 118.70 122.42 2h3k s GLU 62 Ca 0.45 -0.53 0.11 0.00 0.36 0.00 0.00 54.97 55.36 2h3k s GLU 62 Cb -0.31 -1.24 -0.05 0.00 0.26 0.00 0.00 34.13 32.79 2h3k s GLU 62 CO 0.40 0.28 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.74 2h3k s LEU 63 N -0.20 2.72 -0.28 2.70 1.02 -0.38 0.60 118.68 124.85 2h3k s LEU 63 Ca 0.03 -0.98 -0.01 0.00 0.02 0.00 0.00 54.13 53.18 2h3k s LEU 63 Cb -0.07 -1.20 0.04 0.00 0.02 0.00 0.00 46.19 44.98 2h3k s LEU 63 CO 0.00 -0.00 -0.03 -0.62 0.02 0.00 0.00 176.35 175.72 2h3k s ASP 64 N -3.55 4.66 0.32 2.29 2.15 -1.26 -2.96 116.67 118.31 2h3k s ASP 64 Ca 0.31 -1.13 -0.05 0.00 0.43 0.00 0.00 52.55 52.11 2h3k s ASP 64 Cb -0.04 -1.69 -0.05 0.00 -0.30 0.00 0.00 42.92 40.84 2h3k s ASP 64 CO 0.16 -0.21 0.59 -0.63 -0.17 0.00 0.00 175.17 174.91 2h3k s ILE 65 N 1.27 5.01 -0.06 4.11 1.09 -0.22 -2.57 121.20 129.83 2h3k s ILE 65 Ca -0.03 0.04 0.03 0.00 -1.10 0.00 0.00 60.65 59.58 2h3k s ILE 65 Cb -0.19 -3.76 -0.06 0.00 -1.06 0.00 0.00 42.46 37.40 2h3k s ILE 65 CO -0.02 -0.41 -0.02 -3.20 -0.10 0.00 0.00 174.94 171.19 2h3k n ASN 66 N -1.17 3.52 -2.52 3.58 2.85 0.12 -2.26 115.26 119.39 2h3k n ASN 66 Ca -0.02 -0.02 -0.33 0.00 -0.11 0.00 0.00 54.58 54.10 2h3k n ASN 66 Cb 0.54 0.25 0.04 0.00 1.24 0.00 0.00 39.78 41.85 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 -2.47 3.47 -0.07 -0.44 -2.24 -1.26 -3.80 114.28 107.47 2h3k n THR 67 Ca -0.11 -3.29 0.25 0.00 -2.27 0.00 0.00 64.05 58.64 2h3k n THR 67 Cb 0.66 -1.28 0.69 0.00 -2.10 0.00 0.00 70.33 68.30 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 2.46 2.53 0.00 6.98 0.00 -1.83 0.84 119.26 130.24 2h3k h ALA 68 Ca 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2h3k h ALA 68 Cb 0.52 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2h3k h ALA 68 CO 1.32 -1.06 0.00 0.77 0.00 0.00 0.00 179.25 180.28 2h3k h SER 69 N 0.00 0.00 0.15 0.00 0.02 -1.94 -2.92 113.55 108.85 2h3k h SER 69 Ca 0.34 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 61.04 2h3k h SER 69 Cb 1.72 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.21 2h3k h SER 69 CO -0.00 0.00 -2.10 0.35 -1.14 0.00 0.00 176.83 173.94 2h3k n THR 70 N -2.36 1.05 -2.17 -2.27 -2.24 0.29 -4.94 114.28 101.64 2h3k n THR 70 Ca 0.02 -0.75 -0.37 0.00 -2.27 0.00 0.00 64.05 60.68 2h3k n THR 70 Cb 0.23 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.80 2.73 0.00 4.78 0.52 -1.10 -2.88 118.94 120.17 2h3k s TRP 71 Ca -0.08 1.51 0.00 0.00 0.02 0.00 0.00 56.10 57.55 2h3k s TRP 71 Cb 0.08 -3.44 0.00 0.00 -1.15 0.00 0.00 33.47 28.96 2h3k s TRP 71 CO 0.85 -1.78 0.00 1.17 0.02 0.00 0.00 176.95 177.21 2h3k n LYS 72 N -0.75 0.00 -4.41 4.98 0.00 -1.25 -3.40 118.16 113.33 2h3k n LYS 72 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 58.31 58.16 2h3k n LYS 72 Cb 0.48 -0.68 -0.08 0.00 0.00 0.00 0.00 35.03 34.76 2h3k n LYS 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2h3k n LYS 73 N -2.36 0.50 -3.23 1.64 5.02 -1.26 -2.17 118.16 116.31 2h3k n LYS 73 Ca 0.00 -3.52 0.04 0.00 -2.02 0.00 0.00 58.31 52.81 2h3k n LYS 73 Cb 0.33 2.30 -0.04 0.00 -0.02 0.00 0.00 35.03 37.61 2h3k n LYS 73 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2h3k s PHE 74 N -3.25 -0.26 -0.39 2.13 2.19 -1.26 -4.34 117.98 112.81 2h3k s PHE 74 Ca 0.30 0.41 0.03 0.00 0.33 0.00 0.00 56.93 58.00 2h3k s PHE 74 Cb 0.01 0.14 0.16 0.00 -1.31 0.00 0.00 43.02 42.02 2h3k s PHE 74 CO 0.21 -0.13 0.36 -1.21 1.83 0.00 0.00 175.22 176.28 2h3k s GLU 75 N 2.32 0.73 0.63 10.12 2.02 -1.04 -4.55 118.70 128.92 2h3k s GLU 75 Ca -0.01 -1.31 -0.18 0.00 0.02 0.00 0.00 54.97 53.49 2h3k s GLU 75 Cb -0.04 -0.97 -0.02 0.00 0.10 0.00 0.00 34.13 33.20 2h3k s GLU 75 CO -0.15 -1.26 1.20 0.08 0.02 0.00 0.00 175.26 175.14 2h3k s VAL 76 N 0.94 2.64 -0.16 2.63 1.01 -1.21 -3.72 120.40 122.53 2h3k s VAL 76 Ca 0.22 0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 2h3k s VAL 76 Cb -0.11 -3.07 0.07 0.00 0.00 0.00 0.00 36.38 33.28 2h3k s VAL 76 CO -0.06 -0.11 0.33 -0.47 0.00 0.00 0.00 175.10 174.78 2h3k s TYR 77 N -1.75 -0.57 0.16 5.22 5.04 -0.20 0.13 117.35 125.38 2h3k s TYR 77 Ca 0.76 1.19 0.07 0.00 -2.44 0.00 0.00 57.07 56.65 2h3k s TYR 77 Cb -0.29 0.11 -0.04 0.00 0.35 0.00 0.00 41.96 42.09 2h3k s TYR 77 CO 0.36 -0.40 -0.15 -2.00 -1.34 0.00 0.00 175.55 172.02 2h3k s GLU 78 N 2.43 1.18 0.32 4.97 -6.30 -1.08 -1.73 118.70 118.49 2h3k s GLU 78 Ca -0.01 -1.41 0.00 0.00 -2.50 0.00 0.00 54.97 51.06 2h3k s GLU 78 Cb -0.12 -1.04 0.00 0.00 0.00 0.00 0.00 34.13 32.97 2h3k s GLU 78 CO -0.10 0.19 0.00 0.09 0.02 0.00 0.00 175.26 175.46 2h3k n ASN 79 N 0.12 0.00 -2.46 -1.70 5.03 -1.26 -2.42 115.26 112.57 2h3k n ASN 79 Ca -0.12 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.30 2h3k n ASN 79 Cb 0.58 0.00 0.08 0.00 -1.02 0.00 0.00 39.78 39.42 2h3k n ASN 79 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2h3k n ASN 80 N 1.54 -1.27 -3.64 6.41 4.05 -1.26 -5.13 115.26 115.96 2h3k n ASN 80 Ca 0.00 -1.97 -0.08 0.00 0.45 0.00 0.00 54.58 52.98 2h3k n ASN 80 Cb 0.00 0.71 -0.07 0.00 1.23 0.00 0.00 39.78 41.65 2h3k n ASN 80 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 2h3k s GLN 81 N 0.11 0.61 -0.31 1.20 2.00 -1.01 -5.12 119.66 117.13 2h3k s GLN 81 Ca 0.10 0.90 -0.28 0.00 -2.00 0.00 0.00 55.36 54.08 2h3k s GLN 81 Cb 0.29 0.20 0.01 0.00 0.80 0.00 0.00 33.01 34.32 2h3k s GLN 81 CO -0.08 -0.10 1.03 0.21 -0.50 0.00 0.00 175.29 175.85 2h3k s LYS 82 N 1.00 4.05 -0.16 1.67 2.47 -1.26 -2.65 119.74 124.87 2h3k s LYS 82 Ca -0.05 1.00 -0.26 0.00 -1.56 0.00 0.00 55.97 55.10 2h3k s LYS 82 Cb -0.05 -3.73 -0.01 0.00 -1.46 0.00 0.00 37.83 32.58 2h3k s LYS 82 CO -0.11 -0.85 0.85 -0.51 0.16 0.00 0.00 175.35 174.89 2h3k s LEU 83 N 3.52 4.19 -0.53 5.43 1.43 0.34 -4.93 118.68 128.13 2h3k s LEU 83 Ca 0.43 1.23 -0.28 0.00 -1.03 0.00 0.00 54.13 54.48 2h3k s LEU 83 Cb -0.13 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.82 2h3k s LEU 83 CO 0.14 -0.40 1.58 -2.16 0.23 0.00 0.00 176.35 175.74 2h3k s PRO 84 N 2.10 3.16 0.59 1.29 0.04 -1.26 -3.29 135.00 137.63 2h3k s PRO 84 Ca 0.40 0.65 -0.18 0.00 0.04 0.00 0.00 61.00 61.91 2h3k s PRO 84 Cb -0.17 -4.19 -0.03 0.00 0.04 0.00 0.00 34.50 30.14 2h3k s PRO 84 CO 0.13 -2.10 1.13 0.54 0.04 0.00 0.00 177.00 176.75 2h3k s VAL 85 N 6.86 3.11 0.05 -0.36 0.11 -1.26 -4.94 120.40 123.97 2h3k s VAL 85 Ca 0.60 0.63 0.07 0.00 -2.93 0.00 0.00 61.98 60.35 2h3k s VAL 85 Cb -0.13 -3.20 -0.03 0.00 -1.53 0.00 0.00 36.38 31.50 2h3k s VAL 85 CO 0.25 -0.21 -0.19 0.00 -3.33 0.00 0.00 175.10 171.62 2h3k s ARG 86 N -3.58 1.20 -0.09 1.54 3.03 -1.10 -4.91 118.95 115.05 2h3k s ARG 86 Ca 0.71 -0.93 -0.21 0.00 2.03 0.00 0.00 55.73 57.33 2h3k s ARG 86 Cb -0.23 -1.30 -0.04 0.00 -1.03 0.00 0.00 34.95 32.34 2h3k s ARG 86 CO 0.33 0.32 0.60 -1.17 -1.13 0.00 0.00 175.30 174.25 2h3k s LEU 87 N -1.31 4.30 -0.19 -1.89 0.20 -1.26 -2.47 118.68 116.05 2h3k s LEU 87 Ca 0.05 1.02 0.08 0.00 0.69 0.00 0.00 54.13 55.97 2h3k s LEU 87 Cb -0.09 -2.90 -0.22 0.00 -0.43 0.00 0.00 46.19 42.55 2h3k s LEU 87 CO 0.02 -0.06 0.07 1.33 -0.29 0.00 0.00 176.35 177.42 2h3k n VAL 88 N 3.71 1.50 -3.50 1.68 0.24 -0.51 -4.99 118.33 116.48 2h3k n VAL 88 Ca -0.04 -0.72 -0.14 0.00 -2.04 0.00 0.00 64.34 61.40 2h3k n VAL 88 Cb 0.51 -1.05 -0.04 0.00 -1.47 0.00 0.00 33.84 31.79 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 -6.14 -0.56 -0.14 -1.34 0.15 -1.25 -4.78 113.70 99.64 2h3k s SER 89 Ca -0.20 0.41 -0.06 0.00 0.70 0.00 0.00 55.95 56.79 2h3k s SER 89 Cb 0.07 0.50 0.06 0.00 -1.71 0.00 0.00 66.02 64.95 2h3k s SER 89 CO 0.74 -0.66 0.30 -0.47 1.20 0.00 0.00 173.24 174.35 2h3k s TYR 90 N -2.05 -0.47 0.55 3.44 5.04 0.29 -0.18 117.35 123.96 2h3k s TYR 90 Ca -0.05 1.03 -0.17 0.00 -2.44 0.00 0.00 57.07 55.44 2h3k s TYR 90 Cb -0.00 0.10 -0.06 0.00 0.35 0.00 0.00 41.96 42.34 2h3k s TYR 90 CO 0.01 -0.32 1.04 0.45 -1.34 0.00 0.00 175.55 175.38 2h3k s SER 91 N 1.80 6.12 0.91 4.32 0.15 0.18 -3.53 113.70 123.65 2h3k s SER 91 Ca -0.05 1.79 -0.11 0.00 0.70 0.00 0.00 55.95 58.28 2h3k s SER 91 Cb -0.11 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.81 2h3k s SER 91 CO -0.10 -0.93 1.09 -2.16 1.20 0.00 0.00 173.24 172.34 2h3k s PRO 92 N -3.83 1.09 0.14 5.44 0.04 -1.26 -3.70 135.00 132.92 2h3k s PRO 92 Ca 0.64 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.48 2h3k s PRO 92 Cb -0.15 -1.78 0.12 0.00 0.04 0.00 0.00 34.50 32.73 2h3k s PRO 92 CO 0.31 -2.38 0.96 0.28 0.04 0.00 0.00 177.00 176.20 2h3k n VAL 93 N -3.99 -0.34 -0.16 -0.36 0.31 -1.26 0.11 118.33 112.63 2h3k n VAL 93 Ca 0.07 1.45 0.06 0.00 -0.01 0.00 0.00 64.34 65.91 2h3k n VAL 93 Cb 0.55 -1.90 0.35 0.00 -0.91 0.00 0.00 33.84 31.93 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 0.74 0.04 5.55 0.13 -2.03 -2.15 132.00 134.28 2h3k h PRO 94 Ca 0.20 -0.04 -0.29 0.00 -0.87 0.00 0.00 66.00 64.99 2h3k h PRO 94 Cb 0.35 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 31.28 2h3k h PRO 94 CO -0.61 0.49 -1.61 0.93 -0.23 0.00 0.00 178.00 176.97 2h3k h GLU 95 N 0.76 0.08 -6.03 0.86 4.39 0.31 -3.49 114.58 111.46 2h3k h GLU 95 Ca 0.29 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 2h3k h GLU 95 Cb 0.19 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2h3k h GLU 95 CO -0.09 0.77 -1.00 -3.47 -1.16 0.00 0.00 179.01 174.06 2h3k n ASP 96 N -3.22 -6.88 -3.39 1.42 2.03 0.29 -4.93 116.55 101.88 2h3k n ASP 96 Ca -0.16 0.60 0.02 0.00 0.52 0.00 0.00 54.79 55.77 2h3k n ASP 96 Cb 1.03 -2.74 -0.03 0.00 -0.72 0.00 0.00 41.12 38.67 2h3k n ASP 96 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2h3k s HIS 97 N -1.30 -1.24 -0.12 -0.67 3.76 -1.24 -4.38 115.29 110.09 2h3k s HIS 97 Ca 0.06 1.75 -0.01 0.00 -0.15 0.00 0.00 55.06 56.71 2h3k s HIS 97 Cb -0.01 0.60 -0.02 0.00 1.11 0.00 0.00 32.58 34.25 2h3k s HIS 97 CO 0.35 -0.64 -0.08 0.00 -0.85 0.00 0.00 174.74 173.51 2h3k s ALA 98 N 2.81 2.84 -0.15 -1.40 0.00 -0.96 0.48 121.76 125.39 2h3k s ALA 98 Ca 0.04 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 2h3k s ALA 98 Cb -0.12 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 2h3k s ALA 98 CO -0.19 0.33 -0.03 0.71 0.00 0.00 0.00 175.76 176.59 2h3k s TYR 99 N 0.02 3.06 0.25 0.00 2.02 0.74 -1.06 117.35 122.38 2h3k s TYR 99 Ca -0.02 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.47 2h3k s TYR 99 Cb -0.14 -1.96 -0.05 0.00 -0.40 0.00 0.00 41.96 39.42 2h3k s TYR 99 CO 0.03 0.02 0.11 0.96 -1.57 0.00 0.00 175.55 175.11 2h3k s ILE 100 N 0.26 0.43 0.01 2.71 -5.25 -1.16 -1.42 121.20 116.78 2h3k s ILE 100 Ca -0.02 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 57.35 2h3k s ILE 100 Cb -0.14 -2.60 0.10 0.00 2.95 0.00 0.00 42.46 42.77 2h3k s ILE 100 CO 0.03 0.00 0.96 0.00 -1.79 0.00 0.00 174.94 174.14 2h3k s ARG 101 N -4.04 0.81 0.16 0.37 1.70 -1.03 -1.25 118.95 115.67 2h3k s ARG 101 Ca 0.38 -0.35 -0.10 0.00 -0.47 0.00 0.00 55.73 55.19 2h3k s ARG 101 Cb 0.07 0.34 -0.00 0.00 -0.57 0.00 0.00 34.95 34.79 2h3k s ARG 101 CO 0.14 -0.36 0.31 -0.59 -1.08 0.00 0.00 175.30 173.71 2h3k s PHE 102 N -3.03 0.30 0.83 5.89 -0.71 -0.67 -2.70 117.98 117.89 2h3k s PHE 102 Ca 0.08 -0.67 -0.11 0.00 -1.04 0.00 0.00 56.93 55.18 2h3k s PHE 102 Cb -0.01 0.00 0.09 0.00 -1.21 0.00 0.00 43.02 41.89 2h3k s PHE 102 CO -0.06 -0.73 1.09 -1.25 -1.34 0.00 0.00 175.22 172.93 2h3k s PRO 103 N -3.94 1.84 -0.36 1.99 0.04 -1.26 -1.44 135.00 131.86 2h3k s PRO 103 Ca 0.15 0.78 0.03 0.00 0.04 0.00 0.00 61.00 62.01 2h3k s PRO 103 Cb 0.03 -1.88 0.16 0.00 0.04 0.00 0.00 34.50 32.85 2h3k s PRO 103 CO -0.01 -1.83 0.40 0.14 0.04 0.00 0.00 177.00 175.73 2h3k s VAL 104 N -3.04 -0.42 0.38 -0.36 -7.23 -1.24 -4.82 120.40 103.67 2h3k s VAL 104 Ca 0.62 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.98 2h3k s VAL 104 Cb -0.16 -0.66 -0.03 0.00 0.56 0.00 0.00 36.38 36.10 2h3k s VAL 104 CO 0.55 -0.50 0.58 -0.55 -0.31 0.00 0.00 175.10 174.88 2h3k s SER 105 N 1.62 6.17 -1.61 4.85 0.15 -1.26 -4.28 113.70 119.34 2h3k s SER 105 Ca 0.16 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2h3k s SER 105 Cb -0.14 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 2h3k s SER 105 CO -0.08 -0.40 0.00 0.47 1.20 0.00 0.00 173.24 174.43 2h3k n ASP 106 N -1.87 -4.90 -1.51 5.45 8.00 -1.26 -2.10 116.55 118.36 2h3k n ASP 106 Ca -0.03 0.27 -0.14 0.00 0.71 0.00 0.00 54.79 55.61 2h3k n ASP 106 Cb 0.57 -3.88 -0.01 0.00 -0.02 0.00 0.00 41.12 37.78 2h3k n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2h3k n GLY 107 N -1.00 -0.00 3.51 0.44 0.00 -1.21 -4.83 105.19 102.09 2h3k n GLY 107 Ca -0.17 -0.32 -0.64 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.84 0.01 0.17 2.61 -1.04 -0.89 -3.01 114.28 108.28 2h3k n THR 108 Ca -0.16 -0.01 0.02 0.00 -2.04 0.00 0.00 64.05 61.87 2h3k n THR 108 Cb 0.60 -0.54 -0.03 0.00 -1.82 0.00 0.00 70.33 68.54 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 5.75 4.00 -3.90 -2.82 7.27 -1.26 -3.11 117.38 123.30 2h3k n GLN 109 Ca 0.42 -0.01 -0.19 0.00 0.07 0.00 0.00 57.00 57.29 2h3k n GLN 109 Cb -0.04 -0.83 -0.17 0.00 2.41 0.00 0.00 30.24 31.61 2h3k n GLN 109 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2h3k s GLU 110 N -1.70 0.38 0.15 3.69 2.02 -1.26 0.17 118.70 122.14 2h3k s GLU 110 Ca 0.01 0.09 -0.00 0.00 0.02 0.00 0.00 54.97 55.09 2h3k s GLU 110 Cb 0.04 -0.61 -0.04 0.00 0.10 0.00 0.00 34.13 33.61 2h3k s GLU 110 CO 0.20 -0.18 0.06 -0.48 0.02 0.00 0.00 175.26 174.88 2h3k s LEU 111 N 1.29 1.77 -0.38 1.80 2.34 -0.84 -4.79 118.68 119.87 2h3k s LEU 111 Ca -0.06 -1.23 -0.11 0.00 0.06 0.00 0.00 54.13 52.80 2h3k s LEU 111 Cb -0.13 0.24 0.04 0.00 -0.56 0.00 0.00 46.19 45.77 2h3k s LEU 111 CO -0.02 -0.71 0.21 -0.54 -1.06 0.00 0.00 176.35 174.23 2h3k s LYS 112 N -4.04 2.78 0.36 1.48 3.01 -0.71 -1.26 119.74 121.37 2h3k s LYS 112 Ca 0.26 -1.15 -0.20 0.00 -1.01 0.00 0.00 55.97 53.87 2h3k s LYS 112 Cb 0.07 -3.73 -0.10 0.00 -1.01 0.00 0.00 37.83 33.06 2h3k s LYS 112 CO 0.03 -0.74 0.87 0.42 0.51 0.00 0.00 175.35 176.44 2h3k s ILE 113 N 1.53 4.45 0.05 2.17 1.09 -0.11 -1.03 121.20 129.35 2h3k s ILE 113 Ca 0.02 1.39 0.05 0.00 -1.10 0.00 0.00 60.65 61.00 2h3k s ILE 113 Cb -0.20 -3.70 -0.02 0.00 -1.06 0.00 0.00 42.46 37.48 2h3k s ILE 113 CO 0.06 -0.15 -0.13 -0.69 -0.10 0.00 0.00 174.94 173.92 2h3k s VAL 114 N -1.97 1.02 0.00 2.92 1.01 -1.24 -2.64 120.40 119.50 2h3k s VAL 114 Ca 0.56 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2h3k s VAL 114 Cb -0.12 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.30 2h3k s VAL 114 CO 0.17 -0.11 0.00 -1.20 0.00 0.00 0.00 175.10 173.96 2h3k n SER 115 N 1.69 0.00 -3.38 3.32 7.64 -1.21 -2.50 113.62 119.18 2h3k n SER 115 Ca -0.19 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.51 2h3k n SER 115 Cb 0.55 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.66 2h3k n SER 115 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2h3k s SER 116 N 0.00 1.41 0.36 6.43 1.04 -1.26 0.18 113.70 121.85 2h3k s SER 116 Ca 0.00 -1.37 0.01 0.00 0.48 0.00 0.00 55.95 55.07 2h3k s SER 116 Cb 0.00 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 2h3k s SER 116 CO 0.00 -0.30 0.55 0.42 0.98 0.00 0.00 173.24 174.89 2h3k s THR 117 N 1.68 4.79 -0.29 2.02 -4.23 -0.83 -3.90 115.64 114.89 2h3k s THR 117 Ca 0.15 -0.57 0.02 0.00 -1.18 0.00 0.00 61.69 60.10 2h3k s THR 117 Cb -0.15 -3.74 0.18 0.00 1.34 0.00 0.00 72.50 70.13 2h3k s THR 117 CO -0.12 -0.45 0.52 -1.58 -0.54 0.00 0.00 174.62 172.45 2h3k s GLN 118 N -4.32 0.50 -0.26 3.99 0.74 -1.14 -2.34 119.66 116.83 2h3k s GLN 118 Ca 0.42 0.60 0.09 0.00 0.05 0.00 0.00 55.36 56.52 2h3k s GLN 118 Cb -0.10 0.11 0.64 0.00 1.10 0.00 0.00 33.01 34.76 2h3k s GLN 118 CO 0.35 -0.84 1.62 -0.89 -0.55 0.00 0.00 175.29 174.98 2h3k n ILE 119 N 5.40 2.49 -3.95 -2.34 -0.00 -1.26 -4.90 119.36 114.80 2h3k n ILE 119 Ca 0.01 -1.32 -0.27 0.00 -0.00 0.00 0.00 62.75 61.17 2h3k n ILE 119 Cb 0.51 -0.40 -0.01 0.00 -0.00 0.00 0.00 39.64 39.74 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 0.03 -1.63 -0.12 4.38 8.00 -1.26 -4.88 116.55 121.07 2h3k n ASP 120 Ca 0.33 -0.94 -0.26 0.00 0.71 0.00 0.00 54.79 54.63 2h3k n ASP 120 Cb 1.20 -3.30 -0.09 0.00 -0.02 0.00 0.00 41.12 38.91 2h3k n ASP 120 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2h3k n ASP 121 N -2.92 1.71 0.00 -2.24 8.00 -1.26 -5.05 116.55 114.79 2h3k n ASP 121 Ca -0.19 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2h3k n ASP 121 Cb 0.63 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 2h3k n ASP 121 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2h3k n GLY 122 N 1.51 -1.61 3.45 0.44 0.00 -1.26 -5.14 105.19 102.57 2h3k n GLY 122 Ca -0.47 0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 2h3k n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h3k s GLU 123 N -0.86 1.61 -0.04 1.61 0.41 -1.26 -5.09 118.70 115.08 2h3k s GLU 123 Ca 0.00 -1.50 -0.30 0.00 -0.41 0.00 0.00 54.97 52.76 2h3k s GLU 123 Cb 0.00 -1.89 -0.04 0.00 -1.78 0.00 0.00 34.13 30.42 2h3k s GLU 123 CO 0.00 0.40 1.33 -2.00 -0.49 0.00 0.00 175.26 174.50 2h3k s GLU 124 N -2.74 4.30 -0.82 1.61 2.12 -1.26 -4.89 118.70 117.02 2h3k s GLU 124 Ca 0.22 1.84 -0.24 0.00 0.36 0.00 0.00 54.97 57.15 2h3k s GLU 124 Cb -0.08 -3.60 0.06 0.00 0.26 0.00 0.00 34.13 30.77 2h3k s GLU 124 CO 0.11 -0.55 1.21 0.99 -0.54 0.00 0.00 175.26 176.48 2h3k s THR 125 N 2.49 4.08 -0.36 -1.70 2.01 -0.99 -4.98 115.64 116.20 2h3k s THR 125 Ca 0.60 -0.39 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 2h3k s THR 125 Cb -0.28 -4.87 0.00 0.00 0.01 0.00 0.00 72.50 67.36 2h3k s THR 125 CO 0.24 -1.72 0.24 0.21 -0.69 0.00 0.00 174.62 172.90 2h3k s ASN 126 N 4.01 5.94 -1.38 3.53 3.04 -1.26 -1.97 114.94 126.86 2h3k s ASN 126 Ca 0.34 -0.68 -0.12 0.00 0.04 0.00 0.00 52.86 52.44 2h3k s ASN 126 Cb -0.08 -2.10 0.10 0.00 -1.54 0.00 0.00 41.25 37.62 2h3k s ASN 126 CO 0.04 -0.32 2.06 -1.22 -3.04 0.00 0.00 177.10 174.62 2h3k n TYR 127 N 5.08 3.33 -0.15 0.43 4.01 0.13 -4.76 117.16 125.24 2h3k n TYR 127 Ca -0.12 -2.90 -0.03 0.00 -0.16 0.00 0.00 57.90 54.68 2h3k n TYR 127 Cb 0.48 -2.30 0.05 0.00 -0.31 0.00 0.00 39.34 37.27 2h3k n TYR 127 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 2h3k h ASP 128 N 5.95 0.12 -2.74 7.72 1.82 -1.88 -3.21 116.42 124.20 2h3k h ASP 128 Ca 0.49 0.06 -0.42 0.00 -0.39 0.00 0.00 57.03 56.78 2h3k h ASP 128 Cb 0.64 0.06 -0.38 0.00 0.68 0.00 0.00 39.33 40.33 2h3k h ASP 128 CO 1.76 0.10 -0.71 -0.47 -1.61 0.00 0.00 179.24 178.31 2h3k s TYR 129 N -6.14 0.01 -0.36 0.28 5.04 -1.26 -4.84 117.35 110.08 2h3k s TYR 129 Ca -0.13 -0.25 -0.01 0.00 -2.44 0.00 0.00 57.07 54.24 2h3k s TYR 129 Cb 0.14 -0.61 0.09 0.00 0.35 0.00 0.00 41.96 41.93 2h3k s TYR 129 CO 0.73 -0.65 0.10 0.99 -1.34 0.00 0.00 175.55 175.38 2h3k s THR 130 N 2.21 2.89 -0.76 4.34 2.01 -1.08 -4.14 115.64 121.11 2h3k s THR 130 Ca 0.06 -1.95 -0.26 0.00 0.31 0.00 0.00 61.69 59.85 2h3k s THR 130 Cb -0.16 -2.93 0.02 0.00 0.01 0.00 0.00 72.50 69.45 2h3k s THR 130 CO -0.18 -0.49 1.44 -0.75 -0.69 0.00 0.00 174.62 173.94 2h3k s LYS 131 N 1.10 3.12 -0.33 4.92 2.20 -0.02 -0.93 119.74 129.81 2h3k s LYS 131 Ca 0.05 -0.21 -0.13 0.00 -0.36 0.00 0.00 55.97 55.31 2h3k s LYS 131 Cb -0.21 -4.42 -0.02 0.00 -1.51 0.00 0.00 37.83 31.67 2h3k s LYS 131 CO -0.04 -2.32 0.28 -1.17 -0.36 0.00 0.00 175.35 171.74 2h3k s LEU 132 N 6.42 4.38 -0.30 5.43 0.20 -0.39 -1.65 118.68 132.77 2h3k s LEU 132 Ca 0.44 -0.24 -0.12 0.00 0.69 0.00 0.00 54.13 54.90 2h3k s LEU 132 Cb -0.08 -2.22 -0.04 0.00 -0.43 0.00 0.00 46.19 43.42 2h3k s LEU 132 CO 0.12 -0.24 0.21 -0.69 -0.29 0.00 0.00 176.35 175.46 2h3k s VAL 133 N 1.85 5.30 1.10 1.68 1.01 0.06 -1.99 120.40 129.42 2h3k s VAL 133 Ca 0.09 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 2h3k s VAL 133 Cb -0.17 -3.60 0.24 0.00 0.00 0.00 0.00 36.38 32.86 2h3k s VAL 133 CO 0.11 0.16 1.02 0.49 0.00 0.00 0.00 175.10 176.88 2h3k n PHE 134 N 5.09 -0.66 0.16 5.22 3.72 0.45 0.47 117.46 131.90 2h3k n PHE 134 Ca -0.13 0.01 0.02 0.00 -0.05 0.00 0.00 57.45 57.31 2h3k n PHE 134 Cb 0.51 -1.78 0.24 0.00 -0.94 0.00 0.00 39.48 37.51 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 -2.45 0.95 -2.86 4.37 0.00 -1.02 -3.43 119.26 114.82 2h3k h ALA 135 Ca -0.56 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 53.81 2h3k h ALA 135 Cb 1.32 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 2h3k h ALA 135 CO 0.46 0.62 -0.10 -1.59 0.00 0.00 0.00 179.25 178.64 2h3k s LYS 136 N -3.55 1.66 0.15 0.00 -2.85 -1.26 -5.00 119.74 108.90 2h3k s LYS 136 Ca -0.00 -1.35 -0.30 0.00 -1.00 0.00 0.00 55.97 53.32 2h3k s LYS 136 Cb 0.11 0.48 -0.08 0.00 -2.06 0.00 0.00 37.83 36.29 2h3k s LYS 136 CO 0.72 -0.70 1.23 -1.25 0.10 0.00 0.00 175.35 175.45 2h3k s PRO 137 N -3.73 4.45 -0.73 1.78 0.04 -1.26 -4.68 135.00 130.87 2h3k s PRO 137 Ca 0.23 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 62.98 2h3k s PRO 137 Cb -0.01 -3.26 0.13 0.00 0.04 0.00 0.00 34.50 31.40 2h3k s PRO 137 CO 0.11 -0.17 0.85 0.42 0.04 0.00 0.00 177.00 178.25 2h3k s ILE 138 N 0.30 4.90 -0.26 0.56 -1.09 -1.17 -4.94 121.20 119.51 2h3k s ILE 138 Ca 0.56 -1.38 -0.10 0.00 -2.23 0.00 0.00 60.65 57.49 2h3k s ILE 138 Cb -0.33 -4.58 -0.05 0.00 -1.58 0.00 0.00 42.46 35.93 2h3k s ILE 138 CO 0.35 -1.24 0.16 -0.31 -1.23 0.00 0.00 174.94 172.66 2h3k s TYR 139 N 2.32 3.22 1.18 3.97 2.02 -1.26 -3.28 117.35 125.52 2h3k s TYR 139 Ca 0.19 0.04 -0.16 0.00 -0.37 0.00 0.00 57.07 56.78 2h3k s TYR 139 Cb -0.16 -2.32 0.23 0.00 -0.40 0.00 0.00 41.96 39.32 2h3k s TYR 139 CO -0.01 -0.13 0.60 0.27 -1.57 0.00 0.00 175.55 174.71 2h3k n ASN 140 N 4.80 -2.21 -3.93 2.29 6.94 -1.26 -4.95 115.26 116.95 2h3k n ASN 140 Ca -0.15 -0.22 -0.29 0.00 -0.02 0.00 0.00 54.58 53.90 2h3k n ASN 140 Cb 0.52 -1.11 -0.13 0.00 -2.36 0.00 0.00 39.78 36.69 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 -2.19 4.46 0.18 0.53 1.11 -1.26 -4.90 116.67 114.60 2h3k s ASP 141 Ca 0.63 -3.30 0.23 0.00 0.18 0.00 0.00 52.55 50.30 2h3k s ASP 141 Cb -0.20 -1.62 0.90 0.00 1.07 0.00 0.00 42.92 43.07 2h3k s ASP 141 CO 0.65 -0.18 1.70 -0.81 1.18 0.00 0.00 175.17 177.71 2h3k n PRO 142 N 2.72 0.16 -0.01 8.23 -0.04 -1.26 -3.41 135.00 141.39 2h3k n PRO 142 Ca 0.10 0.31 0.01 0.00 -0.04 0.00 0.00 63.50 63.87 2h3k n PRO 142 Cb 0.33 -1.75 -0.02 0.00 -0.04 0.00 0.00 33.50 32.01 2h3k n PRO 142 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2h3k n SER 143 N -2.04 4.27 0.00 3.54 3.41 -1.26 -5.12 113.62 116.42 2h3k n SER 143 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2h3k n SER 143 Cb 0.27 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 2h3k n SER 143 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06