#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 3.62 0.00 0.00 -4.77 -1.26 -5.12 116.67 109.14 2h3k s ASP 2 Ca 0.00 -0.34 0.00 0.00 -3.30 0.00 0.00 52.55 48.91 2h3k s ASP 2 Cb 0.00 -0.84 0.00 0.00 -1.09 0.00 0.00 42.92 40.99 2h3k s ASP 2 CO 0.00 0.30 0.00 -1.84 0.70 0.00 0.00 175.17 174.33 2h3k n GLU 3 N 2.63 3.96 -4.20 2.11 0.28 -1.26 -5.15 120.64 119.01 2h3k n GLU 3 Ca -0.17 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.60 2h3k n GLU 3 Cb 0.52 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.33 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 0.57 4.95 0.16 -1.84 0.01 -1.26 -4.83 113.70 111.46 2h3k s SER 4 Ca 0.00 -0.50 0.08 0.00 1.31 0.00 0.00 55.95 56.85 2h3k s SER 4 Cb 0.00 -1.06 -0.08 0.00 0.21 0.00 0.00 66.02 65.09 2h3k s SER 4 CO 0.00 -0.04 1.36 0.25 0.41 0.00 0.00 173.24 175.22 2h3k h LEU 5 N 1.70 0.00 -0.03 2.44 5.85 -1.74 -2.74 115.31 120.78 2h3k h LEU 5 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2h3k h LEU 5 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2h3k h LEU 5 CO 0.61 0.89 -0.01 2.29 -0.34 0.00 0.00 178.44 181.88 2h3k n LYS 6 N -3.43 0.66 -0.00 1.25 -0.00 -1.24 -2.98 118.16 112.42 2h3k n LYS 6 Ca -0.00 -0.03 0.04 0.00 -0.00 0.00 0.00 58.31 58.31 2h3k n LYS 6 Cb 0.86 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 34.34 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 -1.14 3.33 -0.02 -5.58 -0.08 -1.19 -4.63 116.55 107.25 2h3k n ASP 7 Ca 0.18 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.35 2h3k n ASP 7 Cb 0.20 1.33 -0.14 0.00 2.34 0.00 0.00 41.12 44.85 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 -1.75 1.40 0.31 -1.67 0.00 -1.04 -3.92 120.51 113.83 2h3k n ALA 8 Ca -0.01 -0.75 0.19 0.00 0.00 0.00 0.00 53.44 52.86 2h3k n ALA 8 Cb 0.19 -0.81 1.01 0.00 0.00 0.00 0.00 19.45 19.85 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 0.01 0.14 -0.77 0.00 3.07 -1.79 -3.33 117.51 114.83 2h3k h ILE 9 Ca -0.31 0.00 -0.58 0.00 1.55 0.00 0.00 64.86 65.52 2h3k h ILE 9 Cb 2.02 0.88 -0.07 0.00 -0.27 0.00 0.00 36.82 39.38 2h3k h ILE 9 CO 0.08 0.00 1.84 -0.75 -1.05 0.00 0.00 178.15 178.27 2h3k s LYS 10 N -4.27 3.54 -0.06 0.16 2.47 -1.25 -4.76 119.74 115.56 2h3k s LYS 10 Ca -0.04 -1.70 -0.24 0.00 -1.56 0.00 0.00 55.97 52.43 2h3k s LYS 10 Cb 0.12 -5.44 0.05 0.00 -1.46 0.00 0.00 37.83 31.10 2h3k s LYS 10 CO 0.41 -2.74 0.54 -0.51 0.16 0.00 0.00 175.35 173.21 2h3k s ASP 11 N 4.94 -0.50 0.23 1.43 1.11 -1.25 -5.04 116.67 117.60 2h3k s ASP 11 Ca 0.58 0.58 0.07 0.00 0.18 0.00 0.00 52.55 53.96 2h3k s ASP 11 Cb 0.02 0.56 0.22 0.00 1.07 0.00 0.00 42.92 44.80 2h3k s ASP 11 CO 0.08 -0.49 1.53 1.55 1.18 0.00 0.00 175.17 179.02 2h3k h PRO 12 N 3.63 0.10 0.00 8.23 0.13 -1.95 -2.91 132.00 139.22 2h3k h PRO 12 Ca -0.28 -0.08 -0.08 0.00 -0.87 0.00 0.00 66.00 64.68 2h3k h PRO 12 Cb 1.16 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2h3k h PRO 12 CO 0.36 0.75 -0.40 0.00 -0.23 0.00 0.00 178.00 178.47 2h3k h ALA 13 N 1.23 0.79 -0.73 -0.56 0.00 -1.97 -3.25 119.26 114.78 2h3k h ALA 13 Ca -0.01 -0.36 -0.49 0.00 0.00 0.00 0.00 54.91 54.04 2h3k h ALA 13 Cb 1.22 -0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.65 2h3k h ALA 13 CO 0.10 0.50 -0.07 1.28 0.00 0.00 0.00 179.25 181.06 2h3k n LEU 14 N -3.27 5.61 -0.08 0.00 4.77 -1.17 -4.36 117.00 118.50 2h3k n LEU 14 Ca 0.02 -4.32 -0.17 0.00 -0.03 0.00 0.00 56.01 51.50 2h3k n LEU 14 Cb 0.64 -0.63 -0.13 0.00 -2.33 0.00 0.00 43.42 40.97 2h3k n LEU 14 CO 0.38 1.66 -1.12 1.21 -1.33 0.00 0.00 177.39 178.19 2h3k n GLU 15 N -0.90 0.68 -2.67 3.23 2.13 -1.11 -0.62 120.64 121.38 2h3k n GLU 15 Ca 0.47 0.17 -0.06 0.00 0.66 0.00 0.00 57.16 58.41 2h3k n GLU 15 Cb 0.92 -1.59 0.11 0.00 0.27 0.00 0.00 31.44 31.15 2h3k n GLU 15 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2h3k n ASN 16 N -3.24 -1.73 -4.84 4.31 4.05 -1.26 -3.68 115.26 108.88 2h3k n ASN 16 Ca -0.38 -2.32 -0.32 0.00 0.45 0.00 0.00 54.58 52.00 2h3k n ASN 16 Cb 1.03 0.93 -0.05 0.00 1.23 0.00 0.00 39.78 42.92 2h3k n ASN 16 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 2h3k s LYS 17 N 0.17 3.98 -0.85 1.20 2.20 -1.26 -4.98 119.74 120.20 2h3k s LYS 17 Ca 0.17 0.85 -0.23 0.00 -0.36 0.00 0.00 55.97 56.40 2h3k s LYS 17 Cb 0.38 -2.24 0.06 0.00 -1.51 0.00 0.00 37.83 34.52 2h3k s LYS 17 CO -0.09 -0.11 1.24 -2.00 -0.36 0.00 0.00 175.35 174.03 2h3k s GLU 18 N -3.67 3.37 -0.34 4.03 2.12 -1.26 -4.88 118.70 118.07 2h3k s GLU 18 Ca 0.57 -0.92 -0.05 0.00 0.36 0.00 0.00 54.97 54.93 2h3k s GLU 18 Cb -0.10 -4.70 -0.11 0.00 0.26 0.00 0.00 34.13 29.48 2h3k s GLU 18 CO 0.25 -2.03 3.20 -2.39 -0.54 0.00 0.00 175.26 173.75 2h3k n HIS 19 N 8.37 0.89 -2.77 5.30 1.44 -1.26 -4.24 115.22 122.94 2h3k n HIS 19 Ca 0.15 -1.83 -0.03 0.00 -2.01 0.00 0.00 57.72 53.99 2h3k n HIS 19 Cb 0.49 -1.58 0.04 0.00 0.12 0.00 0.00 29.99 29.06 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 1.90 1.62 -4.73 4.39 2.03 -1.26 -5.08 116.55 115.42 2h3k n ASP 20 Ca 0.48 -2.25 -0.36 0.00 0.52 0.00 0.00 54.79 53.19 2h3k n ASP 20 Cb 0.70 -0.49 -0.07 0.00 -0.72 0.00 0.00 41.12 40.54 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 -3.65 5.35 0.00 5.18 1.01 -1.26 -4.94 121.20 122.89 2h3k s ILE 21 Ca 0.28 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.31 2h3k s ILE 21 Cb 0.36 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 39.27 2h3k s ILE 21 CO -0.02 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.95 2h3k n GLY 22 N 3.43 -1.83 3.69 6.18 0.00 -1.26 -4.99 105.19 110.40 2h3k n GLY 22 Ca -0.14 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.73 -0.15 1.61 0.04 -1.26 -5.09 135.00 129.43 2h3k s PRO 23 Ca 0.00 -0.17 -0.34 0.00 0.04 0.00 0.00 61.00 60.53 2h3k s PRO 23 Cb 0.00 -1.66 0.14 0.00 0.04 0.00 0.00 34.50 33.01 2h3k s PRO 23 CO 0.00 -3.36 1.25 -0.98 0.04 0.00 0.00 177.00 173.94 2h3k s ARG 24 N -5.55 0.31 0.26 4.56 1.70 -1.26 -4.67 118.95 114.30 2h3k s ARG 24 Ca 0.72 -0.13 -0.06 0.00 -0.47 0.00 0.00 55.73 55.79 2h3k s ARG 24 Cb -0.08 0.13 0.02 0.00 -0.57 0.00 0.00 34.95 34.45 2h3k s ARG 24 CO 0.55 -0.14 0.45 0.39 -1.08 0.00 0.00 175.30 175.47 2h3k n GLU 25 N -0.20 0.64 -4.69 3.89 1.02 -0.18 -4.88 120.64 116.24 2h3k n GLU 25 Ca -0.02 -1.75 -0.23 0.00 -0.02 0.00 0.00 57.16 55.14 2h3k n GLU 25 Cb 0.59 1.91 -0.15 0.00 -0.02 0.00 0.00 31.44 33.77 2h3k n GLU 25 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2h3k s GLN 26 N -2.31 1.33 -0.08 3.49 -2.07 -1.26 -2.08 119.66 116.68 2h3k s GLN 26 Ca 0.16 -0.52 -0.05 0.00 -1.82 0.00 0.00 55.36 53.13 2h3k s GLN 26 Cb -0.02 -1.24 0.04 0.00 -1.09 0.00 0.00 33.01 30.70 2h3k s GLN 26 CO 0.11 0.27 0.19 0.08 -1.32 0.00 0.00 175.29 174.63 2h3k s VAL 27 N -0.16 -0.03 0.57 3.63 1.01 0.43 -4.86 120.40 120.98 2h3k s VAL 27 Ca 0.02 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 2h3k s VAL 27 Cb -0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 2h3k s VAL 27 CO 0.00 0.05 0.89 0.21 0.00 0.00 0.00 175.10 176.25 2h3k s ASN 28 N 0.94 5.77 0.03 3.32 3.84 -1.26 0.14 114.94 127.73 2h3k s ASN 28 Ca -0.07 0.81 0.04 0.00 0.21 0.00 0.00 52.86 53.86 2h3k s ASN 28 Cb -0.09 -1.88 -0.02 0.00 -0.55 0.00 0.00 41.25 38.72 2h3k s ASN 28 CO -0.05 -0.95 -0.13 0.72 -2.79 0.00 0.00 177.10 173.90 2h3k s PHE 29 N -2.95 1.11 -0.34 0.43 -0.12 -1.26 0.13 117.98 114.97 2h3k s PHE 29 Ca 0.53 -0.33 -0.14 0.00 -0.05 0.00 0.00 56.93 56.94 2h3k s PHE 29 Cb -0.11 -0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 41.60 2h3k s PHE 29 CO 0.46 0.02 0.27 -0.65 -0.05 0.00 0.00 175.22 175.27 2h3k s GLN 30 N -1.01 3.50 -0.31 1.99 1.11 0.14 -4.88 119.66 120.20 2h3k s GLN 30 Ca 0.01 -0.59 -0.26 0.00 0.01 0.00 0.00 55.36 54.52 2h3k s GLN 30 Cb -0.07 -3.81 0.01 0.00 -1.01 0.00 0.00 33.01 28.12 2h3k s GLN 30 CO 0.01 -0.47 0.94 -0.51 0.01 0.00 0.00 175.29 175.27 2h3k s LEU 31 N 1.80 4.01 -0.04 2.90 1.43 -1.26 -2.00 118.68 125.52 2h3k s LEU 31 Ca 0.08 0.88 -0.00 0.00 -1.03 0.00 0.00 54.13 54.05 2h3k s LEU 31 Cb -0.17 -3.33 0.03 0.00 0.03 0.00 0.00 46.19 42.75 2h3k s LEU 31 CO 0.11 -0.75 -0.00 -0.76 0.23 0.00 0.00 176.35 175.17 2h3k s LEU 32 N 3.32 0.94 0.00 1.79 1.43 -0.97 -4.29 118.68 120.90 2h3k s LEU 32 Ca 0.39 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 2h3k s LEU 32 Cb -0.13 -0.31 0.00 0.00 0.03 0.00 0.00 46.19 45.78 2h3k s LEU 32 CO 0.14 -0.13 0.00 0.47 0.23 0.00 0.00 176.35 177.06 2h3k n ASP 33 N 4.49 0.00 -1.59 2.29 9.92 -1.26 -1.33 116.55 129.07 2h3k n ASP 33 Ca -0.19 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.05 2h3k n ASP 33 Cb 0.50 0.00 0.22 0.00 -0.64 0.00 0.00 41.12 41.21 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 3.05 -0.55 -1.24 4.81 -1.26 -3.94 118.16 119.03 2h3k n LYS 34 Ca 0.00 -2.12 0.00 0.00 -0.87 0.00 0.00 58.31 55.33 2h3k n LYS 34 Cb 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.10 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 0.07 0.03 -3.80 3.14 4.13 -1.26 -5.01 115.26 112.56 2h3k n ASN 35 Ca 0.26 -1.84 -0.23 0.00 1.68 0.00 0.00 54.58 54.45 2h3k n ASN 35 Cb 1.04 -0.17 0.01 0.00 -1.54 0.00 0.00 39.78 39.12 2h3k n ASN 35 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2h3k n ASN 36 N 0.02 -1.04 -3.77 6.41 3.02 -1.25 -4.95 115.26 113.70 2h3k n ASN 36 Ca 0.00 -0.88 -0.30 0.00 -0.03 0.00 0.00 54.58 53.37 2h3k n ASN 36 Cb 0.69 -3.69 -0.15 0.00 -0.61 0.00 0.00 39.78 36.02 2h3k n ASN 36 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2h3k s GLU 37 N -6.21 0.89 -0.34 3.52 2.02 -1.26 -4.97 118.70 112.35 2h3k s GLU 37 Ca 0.04 -1.32 -0.31 0.00 0.02 0.00 0.00 54.97 53.41 2h3k s GLU 37 Cb -0.02 -2.19 -0.08 0.00 0.10 0.00 0.00 34.13 31.93 2h3k s GLU 37 CO 0.84 -1.01 2.26 2.41 0.02 0.00 0.00 175.26 179.78 2h3k n THR 38 N 4.57 0.20 -1.82 3.63 -1.04 -1.26 -4.23 114.28 114.34 2h3k n THR 38 Ca 0.00 -0.42 -0.34 0.00 -2.04 0.00 0.00 64.05 61.25 2h3k n THR 38 Cb 0.41 -2.18 0.04 0.00 -1.82 0.00 0.00 70.33 66.78 2h3k n THR 38 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2h3k s GLN 39 N 6.72 2.83 0.02 -2.82 0.74 -1.26 -4.99 119.66 120.90 2h3k s GLN 39 Ca 1.05 1.50 -0.04 0.00 0.05 0.00 0.00 55.36 57.92 2h3k s GLN 39 Cb -0.54 -1.95 -0.02 0.00 1.10 0.00 0.00 33.01 31.61 2h3k s GLN 39 CO 0.39 -1.25 -0.08 0.98 -0.55 0.00 0.00 175.29 174.79 2h3k n TYR 40 N -2.21 0.00 -1.85 1.67 9.36 -1.26 -4.87 117.16 117.99 2h3k n TYR 40 Ca 0.11 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 61.12 2h3k n TYR 40 Cb 0.51 -0.13 -0.07 0.00 -0.63 0.00 0.00 39.34 39.02 2h3k n TYR 40 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 2h3k s TYR 41 N -2.19 1.55 0.00 2.98 2.02 -1.26 -4.88 117.35 115.57 2h3k s TYR 41 Ca -0.07 1.24 0.00 0.00 -0.37 0.00 0.00 57.07 57.86 2h3k s TYR 41 Cb 0.01 -3.76 0.00 0.00 -0.40 0.00 0.00 41.96 37.81 2h3k s TYR 41 CO 0.10 -1.49 0.00 0.72 -1.57 0.00 0.00 175.55 173.31 2h3k n HIS 42 N 16.19 -0.25 -3.46 2.71 8.25 -1.26 -5.16 115.22 132.24 2h3k n HIS 42 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 2h3k n HIS 42 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 2h3k n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2h3k n PHE 43 N -0.08 -0.13 -3.65 4.41 3.01 -1.26 -5.12 117.46 114.63 2h3k n PHE 43 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.09 2h3k n PHE 43 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 2h3k n PHE 43 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2h3k s PHE 44 N 0.04 3.59 0.00 1.38 0.08 -1.26 -4.86 117.98 116.95 2h3k s PHE 44 Ca 0.00 0.68 0.00 0.00 0.12 0.00 0.00 56.93 57.73 2h3k s PHE 44 Cb 0.00 -2.18 0.00 0.00 -0.57 0.00 0.00 43.02 40.27 2h3k s PHE 44 CO 0.00 0.54 0.00 -1.13 -0.10 0.00 0.00 175.22 174.53 2h3k n SER 45 N 2.47 0.00 -4.93 1.36 3.41 -1.26 -4.04 113.62 110.63 2h3k n SER 45 Ca -0.16 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.21 2h3k n SER 45 Cb 0.53 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.50 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 4.08 0.03 -1.33 1.09 -1.26 0.12 121.20 123.93 2h3k s ILE 46 Ca 0.00 -0.23 0.00 0.00 -1.10 0.00 0.00 60.65 59.32 2h3k s ILE 46 Cb 0.00 -3.55 0.00 0.00 -1.06 0.00 0.00 42.46 37.85 2h3k s ILE 46 CO 0.00 -0.46 0.00 1.17 -0.10 0.00 0.00 174.94 175.55 2h3k n LYS 47 N -2.25 0.00 -2.61 2.79 4.81 -1.25 -4.94 118.16 114.71 2h3k n LYS 47 Ca 0.02 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.24 2h3k n LYS 47 Cb 0.57 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.66 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 -3.77 5.30 0.36 3.14 1.01 -1.26 -5.05 116.67 116.39 2h3k s ASP 48 Ca 0.00 0.14 -0.26 0.00 0.71 0.00 0.00 52.55 53.14 2h3k s ASP 48 Cb 0.00 -1.05 -0.09 0.00 1.01 0.00 0.00 42.92 42.79 2h3k s ASP 48 CO 0.00 -1.14 1.11 -2.16 0.21 0.00 0.00 175.17 173.19 2h3k s PRO 49 N -4.82 4.27 0.09 8.23 0.04 -1.26 -4.79 135.00 136.76 2h3k s PRO 49 Ca 0.56 1.73 -0.35 0.00 0.04 0.00 0.00 61.00 62.98 2h3k s PRO 49 Cb -0.10 -2.80 -0.15 0.00 0.04 0.00 0.00 34.50 31.50 2h3k s PRO 49 CO 0.40 -0.10 1.55 0.00 0.04 0.00 0.00 177.00 178.89 2h3k n ALA 50 N 0.38 0.58 -2.45 8.56 0.00 0.38 -4.28 120.51 123.69 2h3k n ALA 50 Ca 0.03 0.45 -0.27 0.00 0.00 0.00 0.00 53.44 53.64 2h3k n ALA 50 Cb 0.47 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 2h3k n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h3k s ASP 51 N 1.25 6.37 -0.05 0.00 1.01 0.24 0.16 116.67 125.66 2h3k s ASP 51 Ca 0.83 0.76 0.05 0.00 0.71 0.00 0.00 52.55 54.89 2h3k s ASP 51 Cb -0.78 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 40.97 2h3k s ASP 51 CO 0.43 -0.35 -0.17 -0.69 0.21 0.00 0.00 175.17 174.60 2h3k s VAL 52 N -2.35 2.79 -0.58 -1.27 1.01 -0.88 0.26 120.40 119.36 2h3k s VAL 52 Ca 0.45 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2h3k s VAL 52 Cb -0.10 -2.07 0.15 0.00 0.00 0.00 0.00 36.38 34.36 2h3k s VAL 52 CO 0.36 0.59 0.36 -0.31 0.00 0.00 0.00 175.10 176.09 2h3k s TYR 53 N -0.64 3.30 -0.13 5.22 1.51 0.00 -1.01 117.35 125.61 2h3k s TYR 53 Ca 0.10 -3.01 -0.29 0.00 -1.01 0.00 0.00 57.07 52.85 2h3k s TYR 53 Cb -0.11 -2.97 -0.02 0.00 -0.11 0.00 0.00 41.96 38.75 2h3k s TYR 53 CO 0.00 -0.77 1.21 0.71 -1.11 0.00 0.00 175.55 175.59 2h3k s TYR 54 N -0.32 3.05 0.11 2.71 2.02 -1.26 -1.02 117.35 122.64 2h3k s TYR 54 Ca 0.18 1.15 0.01 0.00 -0.37 0.00 0.00 57.07 58.04 2h3k s TYR 54 Cb -0.22 -3.44 -0.00 0.00 -0.40 0.00 0.00 41.96 37.90 2h3k s TYR 54 CO -0.02 -1.38 0.03 0.25 -1.57 0.00 0.00 175.55 172.85 2h3k n THR 55 N 5.05 0.00 0.41 -0.71 -2.24 -1.24 -4.61 114.28 110.94 2h3k n THR 55 Ca 0.12 -0.58 0.09 0.00 -2.27 0.00 0.00 64.05 61.41 2h3k n THR 55 Cb 0.46 0.18 0.40 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.25 0.10 0.00 -0.78 0.00 -1.26 -4.17 118.16 111.80 2h3k n LYS 56 Ca -0.03 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 2h3k n LYS 56 Cb 0.15 -1.70 0.00 0.00 -0.00 0.00 0.00 35.03 33.48 2h3k n LYS 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2h3k n LYS 57 N -1.89 0.00 -3.93 -1.58 5.02 -1.26 -5.07 118.16 109.44 2h3k n LYS 57 Ca 0.02 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 2h3k n LYS 57 Cb 0.18 -0.12 -0.07 0.00 -0.02 0.00 0.00 35.03 35.00 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 -0.27 1.07 0.58 1.97 -0.14 -1.26 -5.06 119.74 116.62 2h3k s LYS 58 Ca 0.00 -1.12 -0.19 0.00 -1.36 0.00 0.00 55.97 53.30 2h3k s LYS 58 Cb 0.00 0.37 -0.04 0.00 -1.68 0.00 0.00 37.83 36.47 2h3k s LYS 58 CO 0.00 -0.38 1.18 0.00 -0.76 0.00 0.00 175.35 175.39 2h3k s ALA 59 N -3.94 2.60 -0.36 5.17 0.00 -1.26 -3.62 121.76 120.34 2h3k s ALA 59 Ca 0.14 0.96 0.01 0.00 0.00 0.00 0.00 51.96 53.06 2h3k s ALA 59 Cb 0.04 -3.42 0.11 0.00 0.00 0.00 0.00 23.12 19.85 2h3k s ALA 59 CO -0.03 -1.04 0.15 -1.21 0.00 0.00 0.00 175.76 173.63 2h3k s GLU 60 N -3.31 0.96 0.48 0.00 2.02 -0.19 -3.39 118.70 115.28 2h3k s GLU 60 Ca 0.76 -1.47 -0.22 0.00 0.02 0.00 0.00 54.97 54.06 2h3k s GLU 60 Cb -0.28 -2.16 -0.07 0.00 0.10 0.00 0.00 34.13 31.72 2h3k s GLU 60 CO 0.31 -1.06 1.19 0.08 0.02 0.00 0.00 175.26 175.80 2h3k s VAL 61 N 1.10 2.97 -0.01 2.63 1.01 -0.94 -0.82 120.40 126.34 2h3k s VAL 61 Ca 0.13 0.71 -0.04 0.00 0.00 0.00 0.00 61.98 62.78 2h3k s VAL 61 Cb -0.20 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 2h3k s VAL 61 CO -0.14 -0.03 0.07 -0.70 0.00 0.00 0.00 175.10 174.30 2h3k s GLU 62 N -2.81 0.29 0.10 2.72 2.12 0.14 -1.71 118.70 119.55 2h3k s GLU 62 Ca 0.66 -0.26 0.06 0.00 0.36 0.00 0.00 54.97 55.80 2h3k s GLU 62 Cb -0.30 0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.18 2h3k s GLU 62 CO 0.35 -0.06 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.35 2h3k s LEU 63 N -0.85 2.34 -0.30 2.70 1.43 -0.70 -0.59 118.68 122.71 2h3k s LEU 63 Ca -0.09 -0.72 -0.09 0.00 -1.03 0.00 0.00 54.13 52.20 2h3k s LEU 63 Cb -0.06 -0.62 -0.00 0.00 0.03 0.00 0.00 46.19 45.54 2h3k s LEU 63 CO 0.00 -0.07 0.12 -1.81 0.23 0.00 0.00 176.35 174.82 2h3k s ASP 64 N -2.12 5.37 0.34 2.29 1.01 -1.26 -2.67 116.67 119.64 2h3k s ASP 64 Ca 0.05 -0.55 0.01 0.00 0.71 0.00 0.00 52.55 52.77 2h3k s ASP 64 Cb -0.08 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.87 2h3k s ASP 64 CO 0.03 -0.18 0.54 -0.63 0.21 0.00 0.00 175.17 175.14 2h3k s ILE 65 N 1.58 5.07 0.00 0.77 1.09 0.63 -3.90 121.20 126.44 2h3k s ILE 65 Ca 0.04 -0.50 0.00 0.00 -1.10 0.00 0.00 60.65 59.09 2h3k s ILE 65 Cb -0.17 -3.85 0.00 0.00 -1.06 0.00 0.00 42.46 37.39 2h3k s ILE 65 CO 0.05 -0.53 0.00 -3.20 -0.10 0.00 0.00 174.94 171.15 2h3k n ASN 66 N -1.77 4.43 -3.63 3.58 2.85 0.32 -2.04 115.26 119.00 2h3k n ASN 66 Ca -0.05 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.03 2h3k n ASN 66 Cb 0.56 0.39 0.00 0.00 1.24 0.00 0.00 39.78 41.98 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 -1.95 5.37 0.29 -0.44 -2.24 -1.26 -3.71 114.28 110.35 2h3k n THR 67 Ca 0.00 -5.89 0.18 0.00 -2.27 0.00 0.00 64.05 56.07 2h3k n THR 67 Cb 0.46 -1.69 0.87 0.00 -2.10 0.00 0.00 70.33 67.87 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 4.35 1.04 0.00 6.98 0.00 -1.87 -1.88 119.26 127.87 2h3k h ALA 68 Ca 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2h3k h ALA 68 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2h3k h ALA 68 CO 1.16 0.03 0.00 0.77 0.00 0.00 0.00 179.25 181.21 2h3k h SER 69 N 0.00 0.00 0.00 0.00 0.02 -1.94 -3.20 113.55 108.42 2h3k h SER 69 Ca -0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 2h3k h SER 69 Cb 0.32 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 2h3k h SER 69 CO 0.00 0.00 -2.26 0.35 -1.14 0.00 0.00 176.83 173.78 2h3k n THR 70 N -2.33 1.19 -2.09 -2.27 -2.24 -0.72 -4.95 114.28 100.87 2h3k n THR 70 Ca 0.03 -0.77 -0.41 0.00 -2.27 0.00 0.00 64.05 60.63 2h3k n THR 70 Cb 0.32 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.06 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 -2.52 3.06 -0.11 4.78 0.52 -1.12 -3.21 118.94 120.34 2h3k s TRP 71 Ca -0.09 1.26 -0.06 0.00 0.02 0.00 0.00 56.10 57.23 2h3k s TRP 71 Cb 0.06 -3.72 -0.05 0.00 -1.15 0.00 0.00 33.47 28.61 2h3k s TRP 71 CO 0.77 -2.13 -0.15 1.17 0.02 0.00 0.00 176.95 176.63 2h3k n LYS 72 N 1.55 0.25 -4.31 4.98 0.00 -1.12 -3.73 118.16 115.77 2h3k n LYS 72 Ca 0.03 0.11 -0.18 0.00 0.00 0.00 0.00 58.31 58.27 2h3k n LYS 72 Cb 0.41 -0.91 -0.09 0.00 0.00 0.00 0.00 35.03 34.44 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 -2.22 1.56 -0.30 1.64 2.20 -1.26 -2.53 119.74 118.83 2h3k s LYS 73 Ca -0.16 -1.88 -0.17 0.00 -0.36 0.00 0.00 55.97 53.40 2h3k s LYS 73 Cb 0.06 -0.03 0.19 0.00 -1.51 0.00 0.00 37.83 36.55 2h3k s LYS 73 CO 0.20 -0.45 1.21 0.12 -0.36 0.00 0.00 175.35 176.06 2h3k s PHE 74 N -3.66 -0.19 -0.36 4.03 5.36 -1.20 -4.09 117.98 117.87 2h3k s PHE 74 Ca 0.37 0.36 0.01 0.00 -0.96 0.00 0.00 56.93 56.71 2h3k s PHE 74 Cb 0.05 0.11 0.19 0.00 -0.34 0.00 0.00 43.02 43.03 2h3k s PHE 74 CO 0.18 -0.09 0.78 -2.00 -1.46 0.00 0.00 175.22 172.62 2h3k s GLU 75 N 1.38 0.54 0.61 10.12 2.12 -1.07 -4.46 118.70 127.94 2h3k s GLU 75 Ca -0.06 -0.04 -0.18 0.00 0.36 0.00 0.00 54.97 55.04 2h3k s GLU 75 Cb -0.02 0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.43 2h3k s GLU 75 CO -0.12 -0.83 1.08 1.33 -0.54 0.00 0.00 175.26 176.18 2h3k n VAL 76 N 4.44 4.09 -3.72 3.70 0.24 -1.25 -4.01 118.33 121.81 2h3k n VAL 76 Ca 0.08 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.34 61.68 2h3k n VAL 76 Cb 0.58 -1.28 -0.18 0.00 -1.47 0.00 0.00 33.84 31.50 2h3k n VAL 76 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2h3k s TYR 77 N -1.46 0.22 -0.06 6.34 5.04 -0.96 -1.15 117.35 125.32 2h3k s TYR 77 Ca 0.78 0.13 -0.11 0.00 -2.44 0.00 0.00 57.07 55.43 2h3k s TYR 77 Cb -0.41 -0.53 0.02 0.00 0.35 0.00 0.00 41.96 41.39 2h3k s TYR 77 CO 0.45 -0.21 0.26 -2.00 -1.34 0.00 0.00 175.55 172.71 2h3k s GLU 78 N 1.95 0.44 -1.08 4.97 2.12 -1.15 -2.63 118.70 123.32 2h3k s GLU 78 Ca 0.03 0.10 -0.04 0.00 0.36 0.00 0.00 54.97 55.42 2h3k s GLU 78 Cb -0.12 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.47 2h3k s GLU 78 CO -0.03 -0.09 0.92 -1.71 -0.54 0.00 0.00 175.26 173.81 2h3k n ASN 79 N 2.26 -4.11 -3.61 -1.70 2.85 -1.26 -3.28 115.26 106.41 2h3k n ASN 79 Ca -0.17 -0.48 -0.27 0.00 -0.11 0.00 0.00 54.58 53.55 2h3k n ASN 79 Cb 0.57 -4.31 0.04 0.00 1.24 0.00 0.00 39.78 37.32 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 -2.48 -5.62 -3.15 1.20 2.85 -1.26 -4.97 115.26 101.82 2h3k n ASN 80 Ca -0.10 -0.91 0.06 0.00 -0.11 0.00 0.00 54.58 53.52 2h3k n ASN 80 Cb 0.59 -3.52 -0.01 0.00 1.24 0.00 0.00 39.78 38.09 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 -5.51 0.13 -0.63 1.20 2.00 -1.20 -5.10 119.66 110.54 2h3k s GLN 81 Ca 0.39 0.16 -0.27 0.00 -2.00 0.00 0.00 55.36 53.64 2h3k s GLN 81 Cb -0.13 0.08 0.01 0.00 0.80 0.00 0.00 33.01 33.77 2h3k s GLN 81 CO 0.85 -0.20 1.46 0.21 -0.50 0.00 0.00 175.29 177.11 2h3k s LYS 82 N 2.96 3.13 0.17 1.67 2.47 -1.26 -2.96 119.74 125.92 2h3k s LYS 82 Ca 0.17 0.25 -0.31 0.00 -1.56 0.00 0.00 55.97 54.51 2h3k s LYS 82 Cb -0.04 -4.20 -0.09 0.00 -1.46 0.00 0.00 37.83 32.03 2h3k s LYS 82 CO -0.18 -2.17 1.50 -0.51 0.16 0.00 0.00 175.35 174.15 2h3k s LEU 83 N 6.56 4.37 -0.63 5.43 1.43 -0.30 -4.92 118.68 130.62 2h3k s LEU 83 Ca 0.49 2.55 -0.28 0.00 -1.03 0.00 0.00 54.13 55.86 2h3k s LEU 83 Cb -0.10 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.54 2h3k s LEU 83 CO 0.21 -0.76 1.35 -2.16 0.23 0.00 0.00 176.35 175.22 2h3k s PRO 84 N 0.88 3.27 0.27 1.29 0.04 -1.26 -3.91 135.00 135.57 2h3k s PRO 84 Ca 0.67 0.20 -0.29 0.00 0.04 0.00 0.00 61.00 61.61 2h3k s PRO 84 Cb -0.42 -4.14 -0.09 0.00 0.04 0.00 0.00 34.50 29.89 2h3k s PRO 84 CO 0.33 -2.00 1.21 0.54 0.04 0.00 0.00 177.00 177.12 2h3k s VAL 85 N 5.92 3.22 0.45 -0.36 0.11 -1.26 -4.92 120.40 123.56 2h3k s VAL 85 Ca 0.46 1.15 0.06 0.00 -2.93 0.00 0.00 61.98 60.72 2h3k s VAL 85 Cb -0.09 -3.74 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 2h3k s VAL 85 CO 0.22 0.25 0.14 0.00 -3.33 0.00 0.00 175.10 172.37 2h3k s ARG 86 N -1.15 2.16 -0.18 1.54 3.03 -1.21 -4.95 118.95 118.20 2h3k s ARG 86 Ca 0.49 -2.04 -0.03 0.00 2.03 0.00 0.00 55.73 56.18 2h3k s ARG 86 Cb -0.35 -1.83 -0.01 0.00 -1.03 0.00 0.00 34.95 31.72 2h3k s ARG 86 CO 0.44 -0.22 -0.07 -1.17 -1.13 0.00 0.00 175.30 173.15 2h3k s LEU 87 N -3.91 2.92 0.03 -1.89 2.96 -1.26 -2.86 118.68 114.67 2h3k s LEU 87 Ca 0.32 -0.31 0.18 0.00 -0.22 0.00 0.00 54.13 54.10 2h3k s LEU 87 Cb 0.04 -1.71 -0.17 0.00 0.50 0.00 0.00 46.19 44.86 2h3k s LEU 87 CO 0.17 0.08 0.69 1.33 -1.32 0.00 0.00 176.35 177.31 2h3k n VAL 88 N 4.10 0.96 -3.59 1.68 0.24 -0.93 -4.98 118.33 115.80 2h3k n VAL 88 Ca -0.18 -0.67 -0.06 0.00 -2.04 0.00 0.00 64.34 61.39 2h3k n VAL 88 Cb 0.52 -0.54 -0.04 0.00 -1.47 0.00 0.00 33.84 32.31 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 -5.49 -0.22 -0.16 -1.34 0.15 -1.26 -4.82 113.70 100.57 2h3k s SER 89 Ca -0.04 0.17 -0.08 0.00 0.70 0.00 0.00 55.95 56.70 2h3k s SER 89 Cb 0.09 0.19 0.06 0.00 -1.71 0.00 0.00 66.02 64.66 2h3k s SER 89 CO 0.83 -0.25 0.37 -0.47 1.20 0.00 0.00 173.24 174.92 2h3k s TYR 90 N -1.54 -0.57 0.55 3.44 6.14 0.21 0.34 117.35 125.92 2h3k s TYR 90 Ca 0.05 1.21 -0.17 0.00 0.64 0.00 0.00 57.07 58.80 2h3k s TYR 90 Cb -0.01 0.21 -0.06 0.00 0.42 0.00 0.00 41.96 42.52 2h3k s TYR 90 CO -0.04 -0.35 1.04 -1.12 0.64 0.00 0.00 175.55 175.73 2h3k s SER 91 N 1.69 6.05 0.91 4.32 0.01 0.41 -3.63 113.70 123.46 2h3k s SER 91 Ca -0.07 1.82 -0.11 0.00 1.31 0.00 0.00 55.95 58.89 2h3k s SER 91 Cb -0.10 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.73 2h3k s SER 91 CO -0.12 -0.98 1.09 -2.16 0.41 0.00 0.00 173.24 171.48 2h3k s PRO 92 N -3.83 1.16 0.15 12.44 0.04 -1.26 -3.68 135.00 140.02 2h3k s PRO 92 Ca 0.64 0.92 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 2h3k s PRO 92 Cb -0.15 -1.79 0.14 0.00 0.04 0.00 0.00 34.50 32.74 2h3k s PRO 92 CO 0.31 -2.33 1.04 0.28 0.04 0.00 0.00 177.00 176.34 2h3k n VAL 93 N -3.96 -0.37 -0.07 -0.36 0.31 -1.26 0.13 118.33 112.76 2h3k n VAL 93 Ca 0.07 1.58 0.06 0.00 -0.01 0.00 0.00 64.34 66.05 2h3k n VAL 93 Cb 0.55 -2.07 0.42 0.00 -0.91 0.00 0.00 33.84 31.82 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 0.57 0.05 5.55 0.13 -2.03 -2.03 132.00 134.24 2h3k h PRO 94 Ca 0.22 -0.03 -0.30 0.00 -0.87 0.00 0.00 66.00 65.02 2h3k h PRO 94 Cb 0.39 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.36 2h3k h PRO 94 CO -0.66 0.38 -1.64 0.93 -0.23 0.00 0.00 178.00 176.78 2h3k h GLU 95 N 0.58 0.10 -6.13 0.86 5.08 0.55 -3.49 114.58 112.13 2h3k h GLU 95 Ca 0.22 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 2h3k h GLU 95 Cb 0.15 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.47 2h3k h GLU 95 CO -0.06 0.80 -1.01 -3.47 -1.00 0.00 0.00 179.01 174.27 2h3k n ASP 96 N -3.24 -6.56 -3.31 1.42 -0.08 0.35 -4.92 116.55 100.22 2h3k n ASP 96 Ca -0.17 0.36 0.03 0.00 -1.51 0.00 0.00 54.79 53.49 2h3k n ASP 96 Cb 1.04 -2.63 -0.02 0.00 2.34 0.00 0.00 41.12 41.84 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 -1.36 -0.07 -0.67 3.76 -1.24 -4.35 115.29 109.88 2h3k s HIS 97 Ca 0.18 1.73 0.01 0.00 -0.15 0.00 0.00 55.06 56.83 2h3k s HIS 97 Cb -0.02 0.58 -0.03 0.00 1.11 0.00 0.00 32.58 34.22 2h3k s HIS 97 CO 0.54 -0.72 -0.09 0.00 -0.85 0.00 0.00 174.74 173.62 2h3k s ALA 98 N 2.85 2.90 -0.07 -1.40 0.00 -0.86 0.16 121.76 125.33 2h3k s ALA 98 Ca 0.10 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2h3k s ALA 98 Cb -0.13 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 2h3k s ALA 98 CO -0.19 0.52 -0.07 0.71 0.00 0.00 0.00 175.76 176.74 2h3k s TYR 99 N -0.64 2.95 0.27 0.00 1.51 0.15 -0.26 117.35 121.33 2h3k s TYR 99 Ca 0.10 0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.19 2h3k s TYR 99 Cb -0.11 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 2h3k s TYR 99 CO 0.02 0.33 0.25 0.96 -1.11 0.00 0.00 175.55 176.00 2h3k s ILE 100 N -0.80 0.00 -0.27 2.71 -5.25 -1.09 -2.19 121.20 114.31 2h3k s ILE 100 Ca 0.12 -1.90 -0.26 0.00 -0.99 0.00 0.00 60.65 57.62 2h3k s ILE 100 Cb -0.11 -2.49 0.16 0.00 2.95 0.00 0.00 42.46 42.97 2h3k s ILE 100 CO 0.01 0.00 1.23 0.00 -1.79 0.00 0.00 174.94 174.39 2h3k s ARG 101 N -3.75 0.29 0.14 0.37 1.70 -1.13 -1.72 118.95 114.84 2h3k s ARG 101 Ca 0.37 0.24 0.06 0.00 -0.47 0.00 0.00 55.73 55.93 2h3k s ARG 101 Cb 0.04 0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.52 2h3k s ARG 101 CO 0.18 -0.05 -0.13 -0.59 -1.08 0.00 0.00 175.30 173.63 2h3k s PHE 102 N -0.26 1.38 0.60 5.89 -0.71 -0.69 -3.35 117.98 120.84 2h3k s PHE 102 Ca 0.05 -0.62 -0.16 0.00 -1.04 0.00 0.00 56.93 55.16 2h3k s PHE 102 Cb -0.04 -0.71 -0.03 0.00 -1.21 0.00 0.00 43.02 41.03 2h3k s PHE 102 CO -0.09 0.15 1.07 -1.25 -1.34 0.00 0.00 175.22 173.76 2h3k s PRO 103 N -3.09 3.24 -0.31 1.99 0.04 -1.26 -2.22 135.00 133.38 2h3k s PRO 103 Ca 0.12 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 2h3k s PRO 103 Cb -0.02 -2.02 0.10 0.00 0.04 0.00 0.00 34.50 32.60 2h3k s PRO 103 CO 0.03 -0.89 0.11 0.14 0.04 0.00 0.00 177.00 176.43 2h3k s VAL 104 N -2.35 0.72 0.19 -0.36 -7.23 -1.22 -4.91 120.40 105.25 2h3k s VAL 104 Ca 0.65 -1.36 -0.06 0.00 -1.81 0.00 0.00 61.98 59.40 2h3k s VAL 104 Cb -0.18 -1.55 -0.06 0.00 0.56 0.00 0.00 36.38 35.15 2h3k s VAL 104 CO 0.36 -0.71 0.46 -0.44 -0.31 0.00 0.00 175.10 174.46 2h3k s SER 105 N 1.62 6.53 -1.39 4.85 0.01 -1.26 -4.20 113.70 119.86 2h3k s SER 105 Ca 0.10 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.07 2h3k s SER 105 Cb -0.18 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2h3k s SER 105 CO -0.25 -0.02 0.00 -0.67 0.41 0.00 0.00 173.24 172.70 2h3k n ASP 106 N -0.14 -4.63 -1.56 2.44 -0.08 -1.26 -2.20 116.55 109.12 2h3k n ASP 106 Ca -0.01 0.12 -0.14 0.00 -1.51 0.00 0.00 54.79 53.25 2h3k n ASP 106 Cb 0.52 -3.66 -0.01 0.00 2.34 0.00 0.00 41.12 40.31 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 -1.06 -0.08 2.90 0.27 0.00 -1.24 -4.86 105.19 101.13 2h3k n GLY 107 Ca -0.17 -0.30 -0.49 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.90 0.00 -0.52 2.61 -1.04 -0.94 -2.90 114.28 107.59 2h3k n THR 108 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2h3k n THR 108 Cb 0.61 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 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 1.52 0.16 -3.68 -2.82 7.27 -1.26 -2.87 117.38 115.70 2h3k n GLN 109 Ca 0.18 -0.48 -0.14 0.00 0.07 0.00 0.00 57.00 56.62 2h3k n GLN 109 Cb 0.05 -0.74 -0.14 0.00 2.41 0.00 0.00 30.24 31.82 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 -0.16 0.13 0.04 3.69 2.02 -1.26 0.69 118.70 123.84 2h3k s GLU 110 Ca 0.00 0.66 0.03 0.00 0.02 0.00 0.00 54.97 55.68 2h3k s GLU 110 Cb 0.00 -0.11 -0.02 0.00 0.10 0.00 0.00 34.13 34.10 2h3k s GLU 110 CO 0.00 -0.27 -0.11 -0.48 0.02 0.00 0.00 175.26 174.43 2h3k s LEU 111 N 2.16 2.19 -0.61 1.80 2.34 -1.14 -4.76 118.68 120.65 2h3k s LEU 111 Ca -0.00 -0.46 -0.20 0.00 0.06 0.00 0.00 54.13 53.53 2h3k s LEU 111 Cb -0.12 -0.39 0.09 0.00 -0.56 0.00 0.00 46.19 45.21 2h3k s LEU 111 CO -0.08 -0.06 0.78 -0.54 -1.06 0.00 0.00 176.35 175.40 2h3k s LYS 112 N -1.22 3.07 0.04 1.48 3.01 -1.08 -2.14 119.74 122.90 2h3k s LYS 112 Ca -0.03 -1.16 -0.30 0.00 -1.01 0.00 0.00 55.97 53.47 2h3k s LYS 112 Cb -0.08 -4.25 -0.06 0.00 -1.01 0.00 0.00 37.83 32.43 2h3k s LYS 112 CO 0.01 -1.61 1.44 0.42 0.51 0.00 0.00 175.35 176.11 2h3k s ILE 113 N 3.10 3.51 -0.21 2.17 1.01 -0.16 -2.25 121.20 128.37 2h3k s ILE 113 Ca 0.15 0.96 0.02 0.00 0.00 0.00 0.00 60.65 61.78 2h3k s ILE 113 Cb -0.22 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.68 2h3k s ILE 113 CO 0.08 0.02 -0.13 -0.69 0.00 0.00 0.00 174.94 174.21 2h3k s VAL 114 N 2.13 1.90 0.34 2.92 1.01 -1.26 -2.31 120.40 125.14 2h3k s VAL 114 Ca 0.66 -1.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 2h3k s VAL 114 Cb -0.34 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.15 2h3k s VAL 114 CO 0.28 0.21 0.63 -0.55 0.00 0.00 0.00 175.10 175.67 2h3k s SER 115 N 1.28 0.31 -0.26 3.32 0.15 -1.11 -2.61 113.70 114.78 2h3k s SER 115 Ca -0.02 -1.20 -0.03 0.00 0.70 0.00 0.00 55.95 55.40 2h3k s SER 115 Cb -0.16 0.74 0.15 0.00 -1.71 0.00 0.00 66.02 65.03 2h3k s SER 115 CO -0.08 -1.45 0.47 -0.94 1.20 0.00 0.00 173.24 172.43 2h3k s SER 116 N -3.11 -0.43 0.41 5.45 1.04 -1.26 0.78 113.70 116.58 2h3k s SER 116 Ca 0.21 0.60 0.08 0.00 0.48 0.00 0.00 55.95 57.32 2h3k s SER 116 Cb -0.03 1.56 -0.04 0.00 0.10 0.00 0.00 66.02 67.61 2h3k s SER 116 CO 0.14 -0.27 0.26 0.42 0.98 0.00 0.00 173.24 174.77 2h3k s THR 117 N 2.68 2.51 -0.31 2.02 -4.23 0.31 -2.80 115.64 115.80 2h3k s THR 117 Ca 0.13 -1.54 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 2h3k s THR 117 Cb -0.15 -3.00 0.16 0.00 1.34 0.00 0.00 72.50 70.85 2h3k s THR 117 CO -0.17 -0.01 0.40 -1.58 -0.54 0.00 0.00 174.62 172.72 2h3k s GLN 118 N -4.00 0.48 -0.08 3.99 0.74 -1.20 -2.27 119.66 117.32 2h3k s GLN 118 Ca 0.44 -0.13 0.08 0.00 0.05 0.00 0.00 55.36 55.80 2h3k s GLN 118 Cb 0.00 -0.40 0.39 0.00 1.10 0.00 0.00 33.01 34.10 2h3k s GLN 118 CO 0.25 -1.08 1.17 -0.89 -0.55 0.00 0.00 175.29 174.18 2h3k n ILE 119 N 5.06 1.13 -3.14 -2.34 -0.00 -1.26 -4.88 119.36 113.92 2h3k n ILE 119 Ca 0.03 -0.64 -0.22 0.00 -0.00 0.00 0.00 62.75 61.93 2h3k n ILE 119 Cb 0.49 -0.21 0.01 0.00 -0.00 0.00 0.00 39.64 39.92 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 0.39 -4.40 -0.01 4.38 8.00 -1.26 -4.88 116.55 118.76 2h3k n ASP 120 Ca 0.13 -0.28 -0.01 0.00 0.71 0.00 0.00 54.79 55.35 2h3k n ASP 120 Cb 0.61 -3.62 -0.00 0.00 -0.02 0.00 0.00 41.12 38.08 2h3k n ASP 120 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2h3k h ASP 121 N -0.95 0.00 0.00 -2.24 5.19 -2.01 -3.50 116.42 112.92 2h3k h ASP 121 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2h3k h ASP 121 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 2h3k h ASP 121 CO 0.52 0.14 0.00 0.61 -3.12 0.00 0.00 179.24 177.39 2h3k n GLY 122 N 1.74 -0.42 3.55 2.75 0.00 -1.26 -5.12 105.19 106.42 2h3k n GLY 122 Ca -0.01 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.95 1.99 0.16 1.61 2.12 -1.26 -5.08 118.70 117.29 2h3k s GLU 123 Ca 0.00 -1.12 -0.31 0.00 0.36 0.00 0.00 54.97 53.89 2h3k s GLU 123 Cb 0.00 -2.21 -0.10 0.00 0.26 0.00 0.00 34.13 32.08 2h3k s GLU 123 CO 0.00 0.49 1.55 -2.00 -0.54 0.00 0.00 175.26 174.76 2h3k s GLU 124 N -2.29 4.23 -0.73 4.30 2.12 -1.26 -4.90 118.70 120.16 2h3k s GLU 124 Ca 0.21 2.33 -0.21 0.00 0.36 0.00 0.00 54.97 57.66 2h3k s GLU 124 Cb -0.11 -3.18 0.09 0.00 0.26 0.00 0.00 34.13 31.20 2h3k s GLU 124 CO 0.13 -0.59 0.98 0.99 -0.54 0.00 0.00 175.26 176.22 2h3k s THR 125 N 1.20 4.52 -0.41 -1.70 2.01 -0.96 -4.99 115.64 115.30 2h3k s THR 125 Ca 0.70 -0.83 -0.08 0.00 0.31 0.00 0.00 61.69 61.78 2h3k s THR 125 Cb -0.43 -4.69 0.08 0.00 0.01 0.00 0.00 72.50 67.47 2h3k s THR 125 CO 0.31 -1.43 0.24 0.21 -0.69 0.00 0.00 174.62 173.26 2h3k s ASN 126 N 3.66 5.58 -1.03 3.53 3.84 -1.26 -0.53 114.94 128.73 2h3k s ASN 126 Ca 0.24 -1.52 -0.20 0.00 0.21 0.00 0.00 52.86 51.59 2h3k s ASN 126 Cb -0.14 -1.96 -0.09 0.00 -0.55 0.00 0.00 41.25 38.51 2h3k s ASN 126 CO 0.03 -0.52 1.99 -1.22 -2.79 0.00 0.00 177.10 174.59 2h3k n TYR 127 N 4.88 2.58 -0.14 0.43 4.01 0.23 -4.70 117.16 124.46 2h3k n TYR 127 Ca -0.10 -2.11 0.17 0.00 -0.16 0.00 0.00 57.90 55.70 2h3k n TYR 127 Cb 0.43 -2.10 0.54 0.00 -0.31 0.00 0.00 39.34 37.90 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 7.66 0.31 -1.34 7.72 1.82 -1.87 -2.95 116.42 127.77 2h3k h ASP 128 Ca 0.43 0.02 0.10 0.00 -0.39 0.00 0.00 57.03 57.19 2h3k h ASP 128 Cb 0.71 -0.04 -0.21 0.00 0.68 0.00 0.00 39.33 40.47 2h3k h ASP 128 CO 1.81 0.16 -0.15 -0.47 -1.61 0.00 0.00 179.24 178.98 2h3k s TYR 129 N -5.33 -1.37 -0.20 0.28 5.04 -1.26 -4.84 117.35 109.67 2h3k s TYR 129 Ca -0.07 1.84 0.01 0.00 -2.44 0.00 0.00 57.07 56.41 2h3k s TYR 129 Cb 0.21 0.63 0.04 0.00 0.35 0.00 0.00 41.96 43.18 2h3k s TYR 129 CO 0.76 -0.72 -0.12 0.99 -1.34 0.00 0.00 175.55 175.13 2h3k s THR 130 N 2.85 1.71 -0.91 4.34 2.01 -0.98 -4.55 115.64 120.12 2h3k s THR 130 Ca 0.07 -1.02 -0.23 0.00 0.31 0.00 0.00 61.69 60.83 2h3k s THR 130 Cb -0.13 -1.75 0.06 0.00 0.01 0.00 0.00 72.50 70.69 2h3k s THR 130 CO -0.19 0.21 1.30 -0.75 -0.69 0.00 0.00 174.62 174.50 2h3k s LYS 131 N 1.37 3.46 -0.71 4.92 2.20 -0.44 -0.99 119.74 129.54 2h3k s LYS 131 Ca -0.01 -1.04 -0.16 0.00 -0.36 0.00 0.00 55.97 54.40 2h3k s LYS 131 Cb -0.16 -4.91 0.16 0.00 -1.51 0.00 0.00 37.83 31.41 2h3k s LYS 131 CO -0.09 -2.07 0.73 -1.17 -0.36 0.00 0.00 175.35 172.40 2h3k s LEU 132 N 4.57 6.09 -0.29 5.43 0.20 -0.91 -2.29 118.68 131.48 2h3k s LEU 132 Ca 0.38 -2.09 -0.24 0.00 0.69 0.00 0.00 54.13 52.87 2h3k s LEU 132 Cb -0.04 -2.26 -0.00 0.00 -0.43 0.00 0.00 46.19 43.46 2h3k s LEU 132 CO -0.03 -0.83 0.80 -0.69 -0.29 0.00 0.00 176.35 175.31 2h3k s VAL 133 N 1.42 4.81 1.04 1.68 1.01 -0.85 -2.90 120.40 126.61 2h3k s VAL 133 Ca 0.15 1.28 -0.15 0.00 0.00 0.00 0.00 61.98 63.26 2h3k s VAL 133 Cb -0.18 -4.13 0.08 0.00 0.00 0.00 0.00 36.38 32.15 2h3k s VAL 133 CO -0.03 -0.20 0.26 0.49 0.00 0.00 0.00 175.10 175.62 2h3k n PHE 134 N 6.15 -1.39 0.15 5.22 3.72 0.22 0.27 117.46 131.79 2h3k n PHE 134 Ca 0.04 0.18 0.03 0.00 -0.05 0.00 0.00 57.45 57.64 2h3k n PHE 134 Cb 0.48 -1.68 0.14 0.00 -0.94 0.00 0.00 39.48 37.47 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 -1.86 0.77 -2.61 4.37 0.00 0.71 -3.42 119.26 117.22 2h3k h ALA 135 Ca -0.49 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 53.86 2h3k h ALA 135 Cb 1.32 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 2h3k h ALA 135 CO 0.37 0.62 -0.34 0.15 0.00 0.00 0.00 179.25 180.05 2h3k s LYS 136 N -3.19 1.09 0.15 0.00 3.01 -1.26 -5.00 119.74 114.54 2h3k s LYS 136 Ca 0.02 -1.14 -0.30 0.00 -1.01 0.00 0.00 55.97 53.53 2h3k s LYS 136 Cb 0.09 0.37 -0.08 0.00 -1.01 0.00 0.00 37.83 37.20 2h3k s LYS 136 CO 0.73 -0.39 1.28 -1.25 0.51 0.00 0.00 175.35 176.23 2h3k s PRO 137 N -3.95 4.40 -1.09 -1.68 0.04 -1.26 -4.76 135.00 126.70 2h3k s PRO 137 Ca 0.15 1.96 -0.16 0.00 0.04 0.00 0.00 61.00 62.99 2h3k s PRO 137 Cb 0.04 -3.25 0.15 0.00 0.04 0.00 0.00 34.50 31.48 2h3k s PRO 137 CO -0.02 -0.26 1.31 0.42 0.04 0.00 0.00 177.00 178.49 2h3k s ILE 138 N 0.50 4.84 -0.24 0.56 -1.09 -1.14 -4.96 121.20 119.68 2h3k s ILE 138 Ca 0.58 -2.11 -0.14 0.00 -2.23 0.00 0.00 60.65 56.75 2h3k s ILE 138 Cb -0.34 -4.87 -0.04 0.00 -1.58 0.00 0.00 42.46 35.63 2h3k s ILE 138 CO 0.34 -1.60 0.33 -0.31 -1.23 0.00 0.00 174.94 172.48 2h3k s TYR 139 N 2.23 3.31 0.69 3.97 2.02 -1.26 -3.68 117.35 124.64 2h3k s TYR 139 Ca 0.39 0.44 -0.17 0.00 -0.37 0.00 0.00 57.07 57.36 2h3k s TYR 139 Cb -0.03 -2.48 -0.06 0.00 -0.40 0.00 0.00 41.96 38.98 2h3k s TYR 139 CO -0.04 -0.08 0.43 -1.71 -1.57 0.00 0.00 175.55 172.58 2h3k n ASN 140 N 4.77 -1.55 -3.88 2.29 5.15 -1.26 -4.94 115.26 115.84 2h3k n ASN 140 Ca -0.10 0.60 -0.29 0.00 -0.60 0.00 0.00 54.58 54.19 2h3k n ASN 140 Cb 0.51 -1.16 -0.13 0.00 -0.53 0.00 0.00 39.78 38.47 2h3k n ASN 140 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2h3k s ASP 141 N -1.37 4.37 0.08 1.20 -1.08 -1.26 -4.90 116.67 113.70 2h3k s ASP 141 Ca 0.64 -3.39 0.21 0.00 -0.52 0.00 0.00 52.55 49.49 2h3k s ASP 141 Cb -0.37 -1.53 0.85 0.00 -1.46 0.00 0.00 42.92 40.41 2h3k s ASP 141 CO 0.59 -0.16 1.64 -0.81 0.52 0.00 0.00 175.17 176.95 2h3k n PRO 142 N 2.58 0.07 0.00 4.34 -0.04 -1.26 -3.64 135.00 137.05 2h3k n PRO 142 Ca 0.14 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 2h3k n PRO 142 Cb 0.34 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 2h3k n PRO 142 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2h3k n SER 143 N -1.74 4.86 0.00 3.54 2.88 -1.26 -5.09 113.62 116.80 2h3k n SER 143 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2h3k n SER 143 Cb 0.24 0.45 0.00 0.00 -0.75 0.00 0.00 64.21 64.15 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70