#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 5.07 0.00 0.00 -1.08 -1.26 -4.82 116.67 114.58 2h3k s ASP 2 Ca 0.00 -0.24 0.00 0.00 -0.52 0.00 0.00 52.55 51.79 2h3k s ASP 2 Cb 0.00 -0.51 0.00 0.00 -1.46 0.00 0.00 42.92 40.95 2h3k s ASP 2 CO 0.00 -1.29 0.00 1.21 0.52 0.00 0.00 175.17 175.61 2h3k n GLU 3 N -2.39 0.00 -2.07 4.34 2.13 -1.26 -5.13 120.64 116.25 2h3k n GLU 3 Ca 0.11 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.52 2h3k n GLU 3 Cb 0.60 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.29 2h3k n GLU 3 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2h3k s SER 4 N 0.00 6.70 0.49 4.31 0.01 -1.26 -4.82 113.70 119.13 2h3k s SER 4 Ca 0.00 2.73 0.27 0.00 1.31 0.00 0.00 55.95 60.26 2h3k s SER 4 Cb 0.00 -2.65 1.21 0.00 0.21 0.00 0.00 66.02 64.79 2h3k s SER 4 CO 0.00 -0.59 1.95 0.25 0.41 0.00 0.00 173.24 175.26 2h3k h LEU 5 N 3.31 0.00 -1.30 2.44 5.85 -1.78 -1.98 115.31 121.85 2h3k h LEU 5 Ca -0.49 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 2h3k h LEU 5 Cb 1.23 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 2h3k h LEU 5 CO 0.65 0.16 -0.05 0.50 -0.34 0.00 0.00 178.44 179.36 2h3k h LYS 6 N 0.00 0.00 0.00 1.25 3.64 -1.76 -2.34 116.57 117.36 2h3k h LYS 6 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2h3k h LYS 6 Cb 0.54 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2h3k h LYS 6 CO 0.02 0.05 -1.87 -0.25 -2.27 0.00 0.00 179.45 175.13 2h3k n ASP 7 N -3.17 0.79 0.05 4.20 9.92 -0.89 -4.44 116.55 123.02 2h3k n ASP 7 Ca 0.01 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 2h3k n ASP 7 Cb 0.35 1.76 -0.13 0.00 -0.64 0.00 0.00 41.12 42.46 2h3k n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2h3k h ALA 8 N 1.61 0.36 0.00 2.24 0.00 -1.29 -3.27 119.26 118.91 2h3k h ALA 8 Ca -0.04 -1.08 -0.01 0.00 0.00 0.00 0.00 54.91 53.78 2h3k h ALA 8 Cb 0.95 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2h3k h ALA 8 CO 0.00 1.23 -0.05 -0.84 0.00 0.00 0.00 179.25 179.59 2h3k h ILE 9 N 0.04 0.41 -1.08 0.00 -0.00 -1.64 -3.30 117.51 111.94 2h3k h ILE 9 Ca -0.16 -0.26 -0.73 0.00 -0.00 0.00 0.00 64.86 63.71 2h3k h ILE 9 Cb 1.93 1.18 -0.12 0.00 -0.00 0.00 0.00 36.82 39.81 2h3k h ILE 9 CO 0.14 0.05 2.23 0.29 -0.00 0.00 0.00 178.15 180.87 2h3k n LYS 10 N -3.57 3.32 -3.69 0.16 4.76 -1.24 -4.72 118.16 113.19 2h3k n LYS 10 Ca -0.02 -3.30 -0.14 0.00 -2.87 0.00 0.00 58.31 51.97 2h3k n LYS 10 Cb 0.16 -3.11 -0.08 0.00 -1.84 0.00 0.00 35.03 30.15 2h3k n LYS 10 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2h3k s ASP 11 N 2.22 -0.43 0.17 4.39 2.15 -1.24 -5.04 116.67 118.89 2h3k s ASP 11 Ca 0.44 0.62 -0.02 0.00 0.43 0.00 0.00 52.55 54.02 2h3k s ASP 11 Cb 0.08 0.67 0.04 0.00 -0.30 0.00 0.00 42.92 43.41 2h3k s ASP 11 CO -0.01 -0.34 1.42 1.55 -0.17 0.00 0.00 175.17 177.61 2h3k h PRO 12 N 4.43 0.41 0.00 4.34 0.13 -1.93 0.18 132.00 139.56 2h3k h PRO 12 Ca -0.28 -0.35 -0.02 0.00 -0.87 0.00 0.00 66.00 64.48 2h3k h PRO 12 Cb 1.17 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2h3k h PRO 12 CO 0.30 0.99 -0.09 0.00 -0.23 0.00 0.00 178.00 178.97 2h3k h ALA 13 N 0.91 1.29 0.00 -0.56 0.00 -1.97 -2.91 119.26 116.02 2h3k h ALA 13 Ca -0.04 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2h3k h ALA 13 Cb 1.34 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2h3k h ALA 13 CO 0.13 0.12 -1.78 1.28 0.00 0.00 0.00 179.25 178.99 2h3k n LEU 14 N -3.62 0.00 -4.54 0.00 4.77 -1.16 -4.73 117.00 107.71 2h3k n LEU 14 Ca -0.02 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.71 2h3k n LEU 14 Cb 0.21 0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.34 2h3k n LEU 14 CO 0.29 0.12 1.72 1.21 -1.33 0.00 0.00 177.39 179.41 2h3k n GLU 15 N -2.20 0.61 -2.68 3.23 2.13 0.62 -0.87 120.64 121.49 2h3k n GLU 15 Ca -0.10 -0.36 -0.01 0.00 0.66 0.00 0.00 57.16 57.35 2h3k n GLU 15 Cb 0.59 -3.07 0.00 0.00 0.27 0.00 0.00 31.44 29.23 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 15.37 -7.73 0.00 4.31 2.85 -1.07 -4.91 115.26 124.08 2h3k n ASN 16 Ca 0.48 1.23 0.00 0.00 -0.11 0.00 0.00 54.58 56.18 2h3k n ASN 16 Cb 0.40 -5.14 0.00 0.00 1.24 0.00 0.00 39.78 36.28 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 0.51 3.58 -3.76 1.20 4.81 -1.23 -5.00 118.16 118.27 2h3k n LYS 17 Ca 0.02 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.18 2h3k n LYS 17 Cb 0.07 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.01 2h3k n LYS 17 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2h3k n GLU 18 N 0.00 1.98 -1.09 1.64 0.00 -1.26 -4.97 120.64 116.94 2h3k n GLU 18 Ca 0.00 -4.50 -0.28 0.00 0.00 0.00 0.00 57.16 52.38 2h3k n GLU 18 Cb 0.00 -2.26 -0.06 0.00 0.00 0.00 0.00 31.44 29.12 2h3k n GLU 18 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 2h3k n HIS 19 N 1.67 1.53 -2.67 -1.84 1.44 -1.26 -4.10 115.22 109.99 2h3k n HIS 19 Ca 0.23 -2.39 0.02 0.00 -2.01 0.00 0.00 57.72 53.56 2h3k n HIS 19 Cb 0.37 -2.06 0.04 0.00 0.12 0.00 0.00 29.99 28.46 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 3.39 1.19 -4.30 4.39 -0.08 -1.26 -5.00 116.55 114.88 2h3k n ASP 20 Ca 0.61 -2.02 -0.44 0.00 -1.51 0.00 0.00 54.79 51.44 2h3k n ASP 20 Cb 0.38 -0.36 -0.02 0.00 2.34 0.00 0.00 41.12 43.47 2h3k n ASP 20 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2h3k s ILE 21 N -1.98 5.59 0.00 5.18 -1.09 -1.26 -4.95 121.20 122.69 2h3k s ILE 21 Ca 0.29 -3.20 0.00 0.00 -2.23 0.00 0.00 60.65 55.51 2h3k s ILE 21 Cb 0.35 -4.40 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 2h3k s ILE 21 CO -0.10 -1.12 0.00 0.61 -1.23 0.00 0.00 174.94 173.11 2h3k n GLY 22 N 3.04 2.78 3.75 6.18 0.00 -1.26 -5.08 105.19 114.59 2h3k n GLY 22 Ca 0.20 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.95 0.83 -0.05 1.61 0.04 -1.25 -5.00 135.00 129.22 2h3k s PRO 23 Ca 0.00 0.34 -0.31 0.00 0.04 0.00 0.00 61.00 61.07 2h3k s PRO 23 Cb 0.00 -1.80 0.11 0.00 0.04 0.00 0.00 34.50 32.86 2h3k s PRO 23 CO 0.00 -2.42 1.13 -0.98 0.04 0.00 0.00 177.00 174.76 2h3k s ARG 24 N -5.18 0.58 0.29 4.56 1.70 -1.26 -3.29 118.95 116.35 2h3k s ARG 24 Ca 0.65 -0.27 0.05 0.00 -0.47 0.00 0.00 55.73 55.68 2h3k s ARG 24 Cb -0.16 0.23 -0.02 0.00 -0.57 0.00 0.00 34.95 34.43 2h3k s ARG 24 CO 0.55 -0.26 0.18 0.39 -1.08 0.00 0.00 175.30 175.08 2h3k n GLU 25 N -0.30 0.45 -4.89 3.89 -0.58 0.38 -4.93 120.64 114.66 2h3k n GLU 25 Ca -0.05 -2.70 -0.27 0.00 -0.42 0.00 0.00 57.16 53.72 2h3k n GLU 25 Cb 0.61 1.91 -0.16 0.00 -0.57 0.00 0.00 31.44 33.22 2h3k n GLU 25 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2h3k s GLN 26 N -3.15 2.11 0.05 3.49 -1.52 -1.26 -1.28 119.66 118.10 2h3k s GLN 26 Ca 0.26 -0.64 0.02 0.00 -1.95 0.00 0.00 55.36 53.05 2h3k s GLN 26 Cb 0.01 -1.73 -0.03 0.00 -0.22 0.00 0.00 33.01 31.05 2h3k s GLN 26 CO 0.18 0.18 -0.07 0.08 -0.25 0.00 0.00 175.29 175.41 2h3k s VAL 27 N 0.26 0.53 0.34 1.09 1.01 0.31 -4.89 120.40 119.06 2h3k s VAL 27 Ca -0.10 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 60.71 2h3k s VAL 27 Cb -0.14 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 2h3k s VAL 27 CO 0.04 -0.47 0.51 0.21 0.00 0.00 0.00 175.10 175.40 2h3k s ASN 28 N -1.80 6.11 -0.02 3.32 2.47 -1.26 0.13 114.94 123.89 2h3k s ASN 28 Ca -0.07 0.16 0.01 0.00 0.42 0.00 0.00 52.86 53.38 2h3k s ASN 28 Cb -0.08 -1.68 0.01 0.00 -1.45 0.00 0.00 41.25 38.06 2h3k s ASN 28 CO -0.01 -0.37 -0.04 0.72 -3.72 0.00 0.00 177.10 173.68 2h3k s PHE 29 N -2.26 0.53 -0.34 0.43 -0.12 -1.26 -0.01 117.98 114.95 2h3k s PHE 29 Ca 0.42 -0.11 -0.13 0.00 -0.05 0.00 0.00 56.93 57.06 2h3k s PHE 29 Cb -0.10 -0.43 -0.01 0.00 -0.63 0.00 0.00 43.02 41.85 2h3k s PHE 29 CO 0.34 -0.08 0.24 -0.65 -0.05 0.00 0.00 175.22 175.01 2h3k s GLN 30 N 0.40 3.41 -0.27 1.99 -0.21 0.08 -4.95 119.66 120.11 2h3k s GLN 30 Ca -0.05 -0.70 -0.29 0.00 0.02 0.00 0.00 55.36 54.35 2h3k s GLN 30 Cb -0.08 -3.80 0.01 0.00 1.00 0.00 0.00 33.01 30.15 2h3k s GLN 30 CO -0.00 -0.48 1.04 -0.51 -2.12 0.00 0.00 175.29 173.22 2h3k s LEU 31 N 1.70 4.02 -0.07 2.90 1.43 -1.26 -2.23 118.68 125.18 2h3k s LEU 31 Ca 0.06 1.19 -0.00 0.00 -1.03 0.00 0.00 54.13 54.35 2h3k s LEU 31 Cb -0.18 -3.52 0.03 0.00 0.03 0.00 0.00 46.19 42.55 2h3k s LEU 31 CO 0.10 -0.76 -0.03 -0.76 0.23 0.00 0.00 176.35 175.13 2h3k s LEU 32 N 3.40 0.91 0.00 1.79 1.43 -1.07 -4.22 118.68 120.92 2h3k s LEU 32 Ca 0.44 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 2h3k s LEU 32 Cb -0.14 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.57 2h3k s LEU 32 CO 0.11 -0.14 0.00 0.47 0.23 0.00 0.00 176.35 177.02 2h3k n ASP 33 N 4.78 0.00 -1.31 2.29 8.00 -1.26 -1.29 116.55 127.76 2h3k n ASP 33 Ca -0.13 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.40 2h3k n ASP 33 Cb 0.50 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.82 2h3k n ASP 33 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2h3k n LYS 34 N 0.00 3.10 -0.40 -1.24 4.81 -1.26 -3.84 118.16 119.32 2h3k n LYS 34 Ca 0.00 -1.76 0.02 0.00 -0.87 0.00 0.00 58.31 55.70 2h3k n LYS 34 Cb 0.00 -1.92 0.02 0.00 0.02 0.00 0.00 35.03 33.16 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 0.30 0.42 -3.35 3.14 3.02 -1.26 -4.99 115.26 112.54 2h3k n ASN 35 Ca 0.17 -2.15 -0.23 0.00 -0.03 0.00 0.00 54.58 52.34 2h3k n ASN 35 Cb 0.81 -0.23 -0.00 0.00 -0.61 0.00 0.00 39.78 39.75 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 -0.25 -3.94 -4.27 6.41 2.85 -1.25 -4.91 115.26 109.90 2h3k n ASN 36 Ca 0.03 -0.40 -0.41 0.00 -0.11 0.00 0.00 54.58 53.69 2h3k n ASN 36 Cb 0.68 -3.25 -0.10 0.00 1.24 0.00 0.00 39.78 38.35 2h3k n ASN 36 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2h3k s GLU 37 N -6.01 2.62 -0.11 1.20 2.02 -1.26 -4.97 118.70 112.20 2h3k s GLU 37 Ca 0.40 -1.48 -0.29 0.00 0.02 0.00 0.00 54.97 53.61 2h3k s GLU 37 Cb -0.21 -3.83 -0.06 0.00 0.10 0.00 0.00 34.13 30.14 2h3k s GLU 37 CO 0.49 -0.99 1.88 0.99 0.02 0.00 0.00 175.26 177.66 2h3k s THR 38 N 1.44 3.29 0.12 3.63 2.01 -1.26 -4.28 115.64 120.59 2h3k s THR 38 Ca 0.03 0.33 0.06 0.00 0.31 0.00 0.00 61.69 62.42 2h3k s THR 38 Cb -0.23 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2h3k s THR 38 CO 0.02 -0.09 0.00 -1.58 -0.69 0.00 0.00 174.62 172.28 2h3k s GLN 39 N 4.89 2.50 -0.23 4.92 0.74 -1.26 -5.02 119.66 126.19 2h3k s GLN 39 Ca 0.84 -0.93 0.13 0.00 0.05 0.00 0.00 55.36 55.46 2h3k s GLN 39 Cb -0.34 -2.48 0.51 0.00 1.10 0.00 0.00 33.01 31.80 2h3k s GLN 39 CO 0.35 0.51 1.43 0.66 -0.55 0.00 0.00 175.29 177.69 2h3k n TYR 40 N 0.34 0.99 -0.07 1.67 4.01 -1.26 -4.54 117.16 118.30 2h3k n TYR 40 Ca -0.11 -1.24 -0.09 0.00 -0.16 0.00 0.00 57.90 56.31 2h3k n TYR 40 Cb 0.53 -0.40 -0.15 0.00 -0.31 0.00 0.00 39.34 39.01 2h3k n TYR 40 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2h3k n TYR 41 N -0.87 0.42 -1.63 -0.72 9.36 -1.26 -4.50 117.16 117.96 2h3k n TYR 41 Ca 0.27 0.15 -0.40 0.00 3.32 0.00 0.00 57.90 61.24 2h3k n TYR 41 Cb 0.96 -1.07 -0.01 0.00 -0.63 0.00 0.00 39.34 38.58 2h3k n TYR 41 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2h3k n HIS 42 N -2.87 2.77 -1.64 2.98 -0.00 -1.26 -4.32 115.22 110.88 2h3k n HIS 42 Ca -0.26 -2.99 0.05 0.00 0.46 0.00 0.00 57.72 54.98 2h3k n HIS 42 Cb 1.11 -2.34 0.09 0.00 -0.12 0.00 0.00 29.99 28.73 2h3k n HIS 42 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2h3k n PHE 43 N 3.87 0.00 0.55 1.57 -0.00 -1.26 -4.73 117.46 117.45 2h3k n PHE 43 Ca 0.66 -0.67 0.12 0.00 -0.00 0.00 0.00 57.45 57.56 2h3k n PHE 43 Cb 0.28 -0.13 0.16 0.00 -0.00 0.00 0.00 39.48 39.80 2h3k n PHE 43 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.76 177.11 2h3k h PHE 44 N 0.27 0.00 0.00 -5.13 3.57 -1.96 -3.43 116.94 110.25 2h3k h PHE 44 Ca -0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2h3k h PHE 44 Cb 1.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.99 2h3k h PHE 44 CO 0.17 0.00 0.00 0.43 -2.23 0.00 0.00 178.31 176.68 2h3k n SER 45 N -2.14 0.00 -4.69 0.41 7.64 -1.26 -3.99 113.62 109.59 2h3k n SER 45 Ca 0.03 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.59 2h3k n SER 45 Cb 0.44 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.79 2h3k n SER 45 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2h3k s ILE 46 N 0.00 2.14 0.00 0.44 1.09 -1.26 -0.96 121.20 122.65 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 -2.24 0.00 0.00 -1.06 0.00 0.00 42.46 39.16 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 -3.84 0.00 -2.42 2.79 3.00 -1.18 -4.82 118.16 111.69 2h3k n LYS 47 Ca 0.12 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.17 2h3k n LYS 47 Cb 0.52 -0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.58 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 -3.08 5.54 0.58 3.14 1.11 -1.26 -5.05 116.67 117.64 2h3k s ASP 48 Ca 0.00 0.65 -0.17 0.00 0.18 0.00 0.00 52.55 53.20 2h3k s ASP 48 Cb 0.00 -1.62 -0.04 0.00 1.07 0.00 0.00 42.92 42.32 2h3k s ASP 48 CO 0.00 -1.08 1.09 -2.16 1.18 0.00 0.00 175.17 174.20 2h3k s PRO 49 N -4.98 3.26 1.12 8.23 0.04 -1.26 -4.60 135.00 136.81 2h3k s PRO 49 Ca 0.54 1.42 -0.15 0.00 0.04 0.00 0.00 61.00 62.85 2h3k s PRO 49 Cb -0.10 -2.01 0.18 0.00 0.04 0.00 0.00 34.50 32.61 2h3k s PRO 49 CO 0.44 -0.89 0.53 0.00 0.04 0.00 0.00 177.00 177.13 2h3k n ALA 50 N -1.73 -3.32 -3.67 8.56 0.00 0.36 -4.65 120.51 116.06 2h3k n ALA 50 Ca 0.10 -1.15 -0.26 0.00 0.00 0.00 0.00 53.44 52.14 2h3k n ALA 50 Cb 0.52 -1.78 -0.17 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.14 2.38 -0.05 0.00 1.01 0.16 -0.53 116.67 117.50 2h3k s ASP 51 Ca 0.62 -0.58 -0.30 0.00 0.71 0.00 0.00 52.55 53.00 2h3k s ASP 51 Cb -0.19 -0.38 -0.03 0.00 1.01 0.00 0.00 42.92 43.33 2h3k s ASP 51 CO 0.65 -0.31 1.10 -0.69 0.21 0.00 0.00 175.17 176.13 2h3k s VAL 52 N 2.03 4.51 -0.59 -1.27 1.01 -0.40 0.51 120.40 126.20 2h3k s VAL 52 Ca 0.01 1.81 -0.08 0.00 0.00 0.00 0.00 61.98 63.72 2h3k s VAL 52 Cb -0.16 -4.16 0.15 0.00 0.00 0.00 0.00 36.38 32.21 2h3k s VAL 52 CO -0.08 0.05 0.45 -0.31 0.00 0.00 0.00 175.10 175.21 2h3k s TYR 53 N 1.76 3.50 -0.02 5.22 1.51 0.28 0.14 117.35 129.74 2h3k s TYR 53 Ca 0.53 -2.19 -0.30 0.00 -1.01 0.00 0.00 57.07 54.10 2h3k s TYR 53 Cb -0.23 -3.46 -0.04 0.00 -0.11 0.00 0.00 41.96 38.13 2h3k s TYR 53 CO 0.23 -0.94 1.19 0.71 -1.11 0.00 0.00 175.55 175.62 2h3k s TYR 54 N 0.66 3.29 0.00 2.71 2.02 -1.21 -1.53 117.35 123.29 2h3k s TYR 54 Ca 0.12 1.27 0.00 0.00 -0.37 0.00 0.00 57.07 58.09 2h3k s TYR 54 Cb -0.21 -3.40 0.00 0.00 -0.40 0.00 0.00 41.96 37.95 2h3k s TYR 54 CO -0.03 -1.23 0.00 0.25 -1.57 0.00 0.00 175.55 172.97 2h3k n THR 55 N 4.36 0.00 1.84 -0.71 -2.24 -1.24 -3.97 114.28 112.33 2h3k n THR 55 Ca 0.10 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.03 2h3k n THR 55 Cb 0.47 0.00 0.83 0.00 -2.10 0.00 0.00 70.33 69.52 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 1.16 0.00 -0.78 -0.00 -1.26 -4.49 118.16 112.79 2h3k n LYS 56 Ca 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.05 2h3k n LYS 56 Cb 0.00 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 33.54 2h3k n LYS 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2h3k n LYS 57 N -0.69 0.00 -4.03 -1.58 4.81 -1.26 -5.10 118.16 110.30 2h3k n LYS 57 Ca 0.22 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.58 2h3k n LYS 57 Cb 0.18 -0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.14 2h3k n LYS 57 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2h3k s LYS 58 N -0.70 0.80 0.94 1.64 2.47 -1.26 -5.00 119.74 118.62 2h3k s LYS 58 Ca 0.00 -1.20 -0.12 0.00 -1.56 0.00 0.00 55.97 53.09 2h3k s LYS 58 Cb 0.00 0.27 0.15 0.00 -1.46 0.00 0.00 37.83 36.79 2h3k s LYS 58 CO 0.00 -0.22 1.09 0.00 0.16 0.00 0.00 175.35 176.38 2h3k s ALA 59 N -3.94 1.24 -0.27 3.13 0.00 -1.26 -3.64 121.76 117.02 2h3k s ALA 59 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 51.96 52.05 2h3k s ALA 59 Cb 0.07 -3.22 0.13 0.00 0.00 0.00 0.00 23.12 20.10 2h3k s ALA 59 CO -0.06 -2.61 0.31 -1.21 0.00 0.00 0.00 175.76 172.19 2h3k s GLU 60 N -4.84 0.33 0.19 0.00 2.02 -0.59 -2.88 118.70 112.93 2h3k s GLU 60 Ca 0.64 0.02 -0.30 0.00 0.02 0.00 0.00 54.97 55.36 2h3k s GLU 60 Cb -0.19 -0.64 -0.08 0.00 0.10 0.00 0.00 34.13 33.32 2h3k s GLU 60 CO 0.58 -0.94 1.12 0.54 0.02 0.00 0.00 175.26 176.58 2h3k s VAL 61 N 2.41 3.75 0.06 2.63 0.11 -0.87 0.10 120.40 128.58 2h3k s VAL 61 Ca 0.10 1.53 0.07 0.00 -2.93 0.00 0.00 61.98 60.75 2h3k s VAL 61 Cb -0.14 -3.98 -0.03 0.00 -1.53 0.00 0.00 36.38 30.71 2h3k s VAL 61 CO -0.28 0.27 -0.20 -0.70 -3.33 0.00 0.00 175.10 170.87 2h3k s GLU 62 N -0.48 1.25 0.17 1.54 -6.30 0.18 -2.20 118.70 112.86 2h3k s GLU 62 Ca 0.49 -0.97 0.10 0.00 -2.50 0.00 0.00 54.97 52.10 2h3k s GLU 62 Cb -0.30 -1.38 -0.04 0.00 0.00 0.00 0.00 34.13 32.40 2h3k s GLU 62 CO 0.36 0.34 -0.22 -0.51 0.02 0.00 0.00 175.26 175.26 2h3k s LEU 63 N -1.36 2.42 -0.27 2.70 1.02 -0.48 0.37 118.68 123.08 2h3k s LEU 63 Ca 0.06 -0.84 -0.07 0.00 0.02 0.00 0.00 54.13 53.30 2h3k s LEU 63 Cb -0.09 -1.02 -0.01 0.00 0.02 0.00 0.00 46.19 45.09 2h3k s LEU 63 CO 0.02 0.06 0.06 -0.62 0.02 0.00 0.00 176.35 175.90 2h3k s ASP 64 N -2.56 5.05 0.13 2.29 2.15 -1.26 -3.12 116.67 119.34 2h3k s ASP 64 Ca 0.17 -0.46 -0.00 0.00 0.43 0.00 0.00 52.55 52.69 2h3k s ASP 64 Cb -0.07 -1.89 -0.04 0.00 -0.30 0.00 0.00 42.92 40.62 2h3k s ASP 64 CO 0.08 -0.11 0.29 -0.63 -0.17 0.00 0.00 175.17 174.63 2h3k s ILE 65 N 1.55 5.30 -0.11 4.11 1.09 -0.35 -3.12 121.20 129.67 2h3k s ILE 65 Ca 0.05 -0.40 0.05 0.00 -1.10 0.00 0.00 60.65 59.24 2h3k s ILE 65 Cb -0.16 -3.68 -0.10 0.00 -1.06 0.00 0.00 42.46 37.46 2h3k s ILE 65 CO 0.02 -0.00 -0.04 -3.20 -0.10 0.00 0.00 174.94 171.62 2h3k n ASN 66 N -0.17 2.79 -3.82 3.58 5.15 -0.14 -2.44 115.26 120.21 2h3k n ASN 66 Ca -0.05 -0.03 -0.36 0.00 -0.60 0.00 0.00 54.58 53.53 2h3k n ASN 66 Cb 0.52 0.29 -0.03 0.00 -0.53 0.00 0.00 39.78 40.03 2h3k n ASN 66 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2h3k n THR 67 N -2.61 3.97 0.27 -0.44 -2.24 -1.26 -3.91 114.28 108.07 2h3k n THR 67 Ca -0.19 -5.56 0.16 0.00 -2.27 0.00 0.00 64.05 56.19 2h3k n THR 67 Cb 0.78 -2.14 0.73 0.00 -2.10 0.00 0.00 70.33 67.59 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 5.10 1.05 0.00 6.98 0.00 -1.86 -2.27 119.26 128.27 2h3k h ALA 68 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2h3k h ALA 68 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2h3k h ALA 68 CO 1.09 0.08 0.00 0.43 0.00 0.00 0.00 179.25 180.85 2h3k n SER 69 N -3.24 0.00 -0.01 0.00 7.64 -1.26 -2.90 113.62 113.85 2h3k n SER 69 Ca -0.00 -0.04 0.08 0.00 1.01 0.00 0.00 58.87 59.92 2h3k n SER 69 Cb 0.29 -0.28 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 2h3k n SER 69 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2h3k n THR 70 N -1.28 0.00 -2.66 0.44 -2.24 -0.85 -4.96 114.28 102.72 2h3k n THR 70 Ca 0.11 -0.31 -0.40 0.00 -2.27 0.00 0.00 64.05 61.18 2h3k n THR 70 Cb 0.18 0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 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 -2.94 3.84 0.04 4.78 0.52 -1.14 -3.03 118.94 121.01 2h3k s TRP 71 Ca -0.03 1.83 -0.00 0.00 0.02 0.00 0.00 56.10 57.92 2h3k s TRP 71 Cb 0.11 -3.09 -0.00 0.00 -1.15 0.00 0.00 33.47 29.34 2h3k s TRP 71 CO 0.65 0.10 -0.00 1.17 0.02 0.00 0.00 176.95 178.89 2h3k n LYS 72 N 1.62 0.01 -4.61 4.98 4.81 -1.25 -3.40 118.16 120.32 2h3k n LYS 72 Ca -0.01 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.16 2h3k n LYS 72 Cb 0.47 -0.51 -0.10 0.00 0.02 0.00 0.00 35.03 34.91 2h3k n LYS 72 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2h3k s LYS 73 N -2.01 1.94 -0.30 1.64 2.20 -1.26 -3.03 119.74 118.93 2h3k s LYS 73 Ca -0.00 -2.14 -0.22 0.00 -0.36 0.00 0.00 55.97 53.24 2h3k s LYS 73 Cb 0.00 -1.34 0.18 0.00 -1.51 0.00 0.00 37.83 35.16 2h3k s LYS 73 CO 0.00 -0.19 1.32 0.12 -0.36 0.00 0.00 175.35 176.24 2h3k s PHE 74 N -2.93 -0.15 -0.03 4.03 5.36 -1.22 -3.98 117.98 119.06 2h3k s PHE 74 Ca 0.27 0.34 -0.30 0.00 -0.96 0.00 0.00 56.93 56.28 2h3k s PHE 74 Cb 0.07 0.36 0.07 0.00 -0.34 0.00 0.00 43.02 43.18 2h3k s PHE 74 CO 0.14 -0.07 0.66 -1.21 -1.46 0.00 0.00 175.22 173.27 2h3k s GLU 75 N 0.36 1.06 -0.08 10.12 2.02 0.22 -4.76 118.70 127.65 2h3k s GLU 75 Ca 0.02 0.19 -0.00 0.00 0.02 0.00 0.00 54.97 55.20 2h3k s GLU 75 Cb -0.04 0.50 0.02 0.00 0.10 0.00 0.00 34.13 34.71 2h3k s GLU 75 CO -0.13 -0.34 -0.04 0.08 0.02 0.00 0.00 175.26 174.85 2h3k s VAL 76 N -1.38 0.67 -0.12 2.63 1.01 -1.24 0.17 120.40 122.13 2h3k s VAL 76 Ca -0.10 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2h3k s VAL 76 Cb -0.00 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.66 2h3k s VAL 76 CO 0.08 0.29 -0.19 -0.47 0.00 0.00 0.00 175.10 174.82 2h3k s TYR 77 N 1.51 2.31 0.02 5.22 5.04 -0.95 -0.12 117.35 130.37 2h3k s TYR 77 Ca -0.01 -1.13 0.07 0.00 -2.44 0.00 0.00 57.07 53.56 2h3k s TYR 77 Cb -0.13 -1.61 -0.02 0.00 0.35 0.00 0.00 41.96 40.54 2h3k s TYR 77 CO -0.04 -0.54 -0.20 -2.00 -1.34 0.00 0.00 175.55 171.43 2h3k s GLU 78 N 0.91 1.47 0.00 4.97 -6.30 -1.10 -1.63 118.70 117.01 2h3k s GLU 78 Ca -0.07 -0.82 0.00 0.00 -2.50 0.00 0.00 54.97 51.58 2h3k s GLU 78 Cb -0.15 -1.50 0.00 0.00 0.00 0.00 0.00 34.13 32.48 2h3k s GLU 78 CO -0.02 0.40 0.00 -1.71 0.02 0.00 0.00 175.26 173.95 2h3k n ASN 79 N 2.21 0.00 -2.35 -1.70 5.15 -1.26 -2.66 115.26 114.65 2h3k n ASN 79 Ca -0.16 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.79 2h3k n ASN 79 Cb 0.53 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.83 2h3k n ASN 79 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2h3k n ASN 80 N 1.52 -1.04 -3.64 1.20 6.94 -1.26 -5.13 115.26 113.86 2h3k n ASN 80 Ca 0.00 -1.75 -0.02 0.00 -0.02 0.00 0.00 54.58 52.79 2h3k n ASN 80 Cb 0.00 0.66 -0.05 0.00 -2.36 0.00 0.00 39.78 38.03 2h3k n ASN 80 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 2h3k s GLN 81 N 0.08 0.59 -0.75 -3.83 0.74 -1.09 -5.10 119.66 110.30 2h3k s GLN 81 Ca 0.07 1.36 -0.26 0.00 0.05 0.00 0.00 55.36 56.58 2h3k s GLN 81 Cb 0.19 0.68 0.04 0.00 1.10 0.00 0.00 33.01 35.02 2h3k s GLN 81 CO -0.05 -0.18 1.24 0.21 -0.55 0.00 0.00 175.29 175.96 2h3k s LYS 82 N 2.57 3.21 0.04 1.67 2.47 -1.26 -2.72 119.74 125.72 2h3k s LYS 82 Ca -0.07 -0.41 -0.31 0.00 -1.56 0.00 0.00 55.97 53.62 2h3k s LYS 82 Cb -0.10 -4.28 -0.06 0.00 -1.46 0.00 0.00 37.83 31.93 2h3k s LYS 82 CO -0.19 -2.10 1.36 -0.51 0.16 0.00 0.00 175.35 174.07 2h3k s LEU 83 N 5.38 4.34 -0.03 5.43 1.43 0.82 -4.89 118.68 131.17 2h3k s LEU 83 Ca 0.34 2.14 -0.30 0.00 -1.03 0.00 0.00 54.13 55.28 2h3k s LEU 83 Cb -0.09 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.51 2h3k s LEU 83 CO 0.12 -0.65 1.33 -2.16 0.23 0.00 0.00 176.35 175.22 2h3k s PRO 84 N 1.81 4.30 0.46 1.29 0.04 -1.26 -3.66 135.00 137.98 2h3k s PRO 84 Ca 0.63 1.86 -0.17 0.00 0.04 0.00 0.00 61.00 63.36 2h3k s PRO 84 Cb -0.32 -3.58 -0.09 0.00 0.04 0.00 0.00 34.50 30.55 2h3k s PRO 84 CO 0.28 -0.54 0.92 0.54 0.04 0.00 0.00 177.00 178.23 2h3k s VAL 85 N 2.39 4.55 0.26 -0.36 0.11 -1.26 -4.90 120.40 121.19 2h3k s VAL 85 Ca 0.61 1.17 0.04 0.00 -2.93 0.00 0.00 61.98 60.87 2h3k s VAL 85 Cb -0.29 -3.68 -0.06 0.00 -1.53 0.00 0.00 36.38 30.83 2h3k s VAL 85 CO 0.25 -0.51 -0.00 0.00 -3.33 0.00 0.00 175.10 171.50 2h3k s ARG 86 N -3.69 1.45 -0.23 1.54 3.03 -1.23 -4.79 118.95 115.04 2h3k s ARG 86 Ca 0.58 -1.75 -0.05 0.00 2.03 0.00 0.00 55.73 56.54 2h3k s ARG 86 Cb -0.10 -0.80 -0.02 0.00 -1.03 0.00 0.00 34.95 33.00 2h3k s ARG 86 CO 0.25 -0.08 0.01 -1.17 -1.13 0.00 0.00 175.30 173.18 2h3k s LEU 87 N -3.38 3.18 -0.09 -1.89 0.20 -1.26 -3.00 118.68 112.44 2h3k s LEU 87 Ca 0.30 -0.28 0.03 0.00 0.69 0.00 0.00 54.13 54.87 2h3k s LEU 87 Cb 0.06 -1.83 -0.25 0.00 -0.43 0.00 0.00 46.19 43.75 2h3k s LEU 87 CO 0.11 -0.01 0.49 1.33 -0.29 0.00 0.00 176.35 177.98 2h3k n VAL 88 N 4.71 1.69 -3.52 1.68 0.24 -0.81 -4.99 118.33 117.33 2h3k n VAL 88 Ca -0.17 -0.73 -0.15 0.00 -2.04 0.00 0.00 64.34 61.25 2h3k n VAL 88 Cb 0.51 -1.37 -0.05 0.00 -1.47 0.00 0.00 33.84 31.46 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 -6.55 -0.57 -0.16 -1.34 0.15 -1.25 -4.73 113.70 99.26 2h3k s SER 89 Ca -0.14 0.54 -0.07 0.00 0.70 0.00 0.00 55.95 56.98 2h3k s SER 89 Cb 0.07 0.48 0.07 0.00 -1.71 0.00 0.00 66.02 64.93 2h3k s SER 89 CO 0.79 -0.58 0.37 -0.47 1.20 0.00 0.00 173.24 174.56 2h3k s TYR 90 N -1.50 -0.59 0.49 3.44 5.04 -0.05 0.27 117.35 124.45 2h3k s TYR 90 Ca -0.07 1.24 -0.20 0.00 -2.44 0.00 0.00 57.07 55.60 2h3k s TYR 90 Cb -0.00 0.21 -0.08 0.00 0.35 0.00 0.00 41.96 42.43 2h3k s TYR 90 CO 0.05 -0.37 1.04 -1.12 -1.34 0.00 0.00 175.55 173.81 2h3k s SER 91 N 1.83 6.32 0.92 4.32 0.01 0.41 -2.59 113.70 124.92 2h3k s SER 91 Ca -0.06 1.91 -0.11 0.00 1.31 0.00 0.00 55.95 59.00 2h3k s SER 91 Cb -0.10 -2.56 0.14 0.00 0.21 0.00 0.00 66.02 63.72 2h3k s SER 91 CO -0.12 -0.80 1.09 -2.16 0.41 0.00 0.00 173.24 171.67 2h3k s PRO 92 N -3.29 1.04 0.14 12.44 0.04 -1.26 -3.60 135.00 140.51 2h3k s PRO 92 Ca 0.67 0.93 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 2h3k s PRO 92 Cb -0.16 -1.78 0.13 0.00 0.04 0.00 0.00 34.50 32.73 2h3k s PRO 92 CO 0.21 -2.42 0.97 0.28 0.04 0.00 0.00 177.00 176.08 2h3k n VAL 93 N -4.02 -0.34 -0.08 -0.36 0.31 -1.26 0.14 118.33 112.72 2h3k n VAL 93 Ca 0.07 1.47 0.08 0.00 -0.01 0.00 0.00 64.34 65.95 2h3k n VAL 93 Cb 0.55 -1.93 0.44 0.00 -0.91 0.00 0.00 33.84 31.98 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 0.53 0.14 5.55 0.13 -2.04 -2.25 132.00 134.07 2h3k h PRO 94 Ca 0.20 -0.03 -0.35 0.00 -0.87 0.00 0.00 66.00 64.96 2h3k h PRO 94 Cb 0.36 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.36 2h3k h PRO 94 CO -0.62 0.35 -1.82 0.93 -0.23 0.00 0.00 178.00 176.62 2h3k h GLU 95 N 0.55 0.29 -5.91 0.86 5.08 0.96 -3.49 114.58 112.91 2h3k h GLU 95 Ca 0.24 -0.49 -0.19 0.00 -1.00 0.00 0.00 59.36 57.92 2h3k h GLU 95 Cb 0.25 0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.69 2h3k h GLU 95 CO -0.07 1.17 -0.87 -3.47 -1.00 0.00 0.00 179.01 174.78 2h3k n ASP 96 N -3.48 -6.76 -3.44 1.42 2.03 0.38 -4.93 116.55 101.77 2h3k n ASP 96 Ca -0.26 0.23 0.01 0.00 0.52 0.00 0.00 54.79 55.30 2h3k n ASP 96 Cb 1.06 -3.52 -0.03 0.00 -0.72 0.00 0.00 41.12 37.91 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 -2.00 -1.35 0.00 -0.67 3.76 -1.24 -4.39 115.29 109.41 2h3k s HIS 97 Ca 0.30 1.96 0.03 0.00 -0.15 0.00 0.00 55.06 57.21 2h3k s HIS 97 Cb -0.05 0.67 -0.03 0.00 1.11 0.00 0.00 32.58 34.27 2h3k s HIS 97 CO 0.80 -0.70 -0.08 0.00 -0.85 0.00 0.00 174.74 173.91 2h3k s ALA 98 N 2.85 2.97 -0.12 -1.40 0.00 -1.02 0.16 121.76 125.19 2h3k s ALA 98 Ca 0.04 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2h3k s ALA 98 Cb -0.12 -1.09 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 2h3k s ALA 98 CO -0.19 0.61 -0.19 0.71 0.00 0.00 0.00 175.76 176.69 2h3k s TYR 99 N -0.97 2.67 0.21 0.00 2.02 0.14 -1.21 117.35 120.21 2h3k s TYR 99 Ca 0.16 -0.93 0.02 0.00 -0.37 0.00 0.00 57.07 55.95 2h3k s TYR 99 Cb -0.11 -1.78 -0.05 0.00 -0.40 0.00 0.00 41.96 39.62 2h3k s TYR 99 CO 0.07 -0.37 0.04 0.96 -1.57 0.00 0.00 175.55 174.68 2h3k s ILE 100 N 0.43 0.63 -0.23 2.71 -5.25 -1.18 -1.93 121.20 116.37 2h3k s ILE 100 Ca -0.14 -1.99 -0.30 0.00 -0.99 0.00 0.00 60.65 57.23 2h3k s ILE 100 Cb -0.17 -2.34 0.16 0.00 2.95 0.00 0.00 42.46 43.07 2h3k s ILE 100 CO 0.06 -0.28 1.21 0.00 -1.79 0.00 0.00 174.94 174.15 2h3k s ARG 101 N -3.96 0.28 0.20 0.37 1.04 -1.16 -1.38 118.95 114.32 2h3k s ARG 101 Ca 0.30 0.05 0.01 0.00 -1.04 0.00 0.00 55.73 55.05 2h3k s ARG 101 Cb 0.07 0.13 -0.05 0.00 -2.04 0.00 0.00 34.95 33.06 2h3k s ARG 101 CO 0.08 -0.09 0.04 -0.59 -0.04 0.00 0.00 175.30 174.70 2h3k s PHE 102 N -1.21 1.28 0.57 5.89 -0.71 -0.93 -3.58 117.98 119.29 2h3k s PHE 102 Ca 0.05 -1.09 -0.17 0.00 -1.04 0.00 0.00 56.93 54.67 2h3k s PHE 102 Cb -0.01 -0.73 -0.05 0.00 -1.21 0.00 0.00 43.02 41.03 2h3k s PHE 102 CO -0.04 -0.29 1.07 -1.25 -1.34 0.00 0.00 175.22 173.37 2h3k s PRO 103 N -3.97 3.38 -0.33 1.99 0.04 -1.26 -2.06 135.00 132.79 2h3k s PRO 103 Ca 0.28 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2h3k s PRO 103 Cb 0.07 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.68 2h3k s PRO 103 CO 0.07 -0.77 0.11 0.14 0.04 0.00 0.00 177.00 176.59 2h3k s VAL 104 N -2.23 1.20 0.23 -0.36 -7.23 -1.14 -4.87 120.40 106.00 2h3k s VAL 104 Ca 0.66 -1.74 -0.05 0.00 -1.81 0.00 0.00 61.98 59.05 2h3k s VAL 104 Cb -0.18 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 2h3k s VAL 104 CO 0.32 -0.70 0.48 -0.55 -0.31 0.00 0.00 175.10 174.35 2h3k s SER 105 N 1.30 6.47 -1.48 4.85 0.15 -1.26 -4.20 113.70 119.54 2h3k s SER 105 Ca 0.11 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2h3k s SER 105 Cb -0.19 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2h3k s SER 105 CO -0.18 -0.09 0.00 -0.67 1.20 0.00 0.00 173.24 173.49 2h3k n ASP 106 N -0.54 -4.70 -1.89 5.45 2.03 -1.26 -2.16 116.55 113.48 2h3k n ASP 106 Ca -0.02 0.24 -0.17 0.00 0.52 0.00 0.00 54.79 55.36 2h3k n ASP 106 Cb 0.53 -3.62 -0.01 0.00 -0.72 0.00 0.00 41.12 37.30 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 -1.11 -0.17 2.90 0.27 0.00 -1.24 -4.83 105.19 101.00 2h3k n GLY 107 Ca -0.16 -0.17 -0.50 0.00 0.00 0.00 0.00 46.02 45.19 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 0.01 2.61 -1.04 -0.92 -2.46 114.28 108.58 2h3k n THR 108 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 2h3k n THR 108 Cb 0.65 -0.11 -0.00 0.00 -1.82 0.00 0.00 70.33 69.05 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 1.77 5.00 -4.04 -2.82 7.27 -1.26 -2.56 117.38 120.74 2h3k n GLN 109 Ca 0.19 -0.00 -0.17 0.00 0.07 0.00 0.00 57.00 57.09 2h3k n GLN 109 Cb 0.03 -0.65 -0.15 0.00 2.41 0.00 0.00 30.24 31.88 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 -1.29 0.40 0.03 3.69 2.12 -1.26 0.12 118.70 122.51 2h3k s GLU 110 Ca 0.00 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.28 2h3k s GLU 110 Cb 0.00 -0.46 -0.02 0.00 0.26 0.00 0.00 34.13 33.90 2h3k s GLU 110 CO 0.01 -0.03 -0.04 -0.48 -0.54 0.00 0.00 175.26 174.18 2h3k s LEU 111 N 0.50 2.28 -0.64 2.70 2.34 -1.11 -4.77 118.68 119.99 2h3k s LEU 111 Ca -0.05 -0.59 -0.17 0.00 0.06 0.00 0.00 54.13 53.37 2h3k s LEU 111 Cb -0.08 0.05 0.13 0.00 -0.56 0.00 0.00 46.19 45.73 2h3k s LEU 111 CO -0.01 -0.32 0.68 -0.54 -1.06 0.00 0.00 176.35 175.10 2h3k s LYS 112 N -1.88 3.16 0.40 1.48 3.01 -0.65 -2.62 119.74 122.65 2h3k s LYS 112 Ca -0.11 -1.68 -0.25 0.00 -1.01 0.00 0.00 55.97 52.92 2h3k s LYS 112 Cb -0.07 -4.35 -0.08 0.00 -1.01 0.00 0.00 37.83 32.31 2h3k s LYS 112 CO -0.02 -1.45 1.15 0.42 0.51 0.00 0.00 175.35 175.96 2h3k s ILE 113 N 1.89 3.24 -0.10 2.17 1.09 -0.81 -2.24 121.20 126.44 2h3k s ILE 113 Ca 0.11 1.02 -0.02 0.00 -1.10 0.00 0.00 60.65 60.66 2h3k s ILE 113 Cb -0.22 -3.56 0.03 0.00 -1.06 0.00 0.00 42.46 37.66 2h3k s ILE 113 CO 0.01 0.07 0.01 -0.69 -0.10 0.00 0.00 174.94 174.24 2h3k s VAL 114 N -1.46 0.39 0.22 2.92 1.01 0.44 -2.51 120.40 121.41 2h3k s VAL 114 Ca 0.58 -0.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.32 2h3k s VAL 114 Cb -0.29 -0.62 0.04 0.00 0.00 0.00 0.00 36.38 35.51 2h3k s VAL 114 CO 0.36 0.16 0.78 -0.94 0.00 0.00 0.00 175.10 175.46 2h3k s SER 115 N 1.96 -0.28 -0.23 3.32 1.04 -1.25 0.72 113.70 118.99 2h3k s SER 115 Ca 0.04 -0.46 -0.03 0.00 0.48 0.00 0.00 55.95 55.98 2h3k s SER 115 Cb -0.13 0.64 0.11 0.00 0.10 0.00 0.00 66.02 66.74 2h3k s SER 115 CO -0.06 -1.16 0.28 -0.94 0.98 0.00 0.00 173.24 172.35 2h3k s SER 116 N -2.89 1.04 0.36 7.02 1.04 -1.26 -0.88 113.70 118.15 2h3k s SER 116 Ca 0.10 -0.16 0.07 0.00 0.48 0.00 0.00 55.95 56.45 2h3k s SER 116 Cb -0.04 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 2h3k s SER 116 CO 0.03 -0.33 0.37 0.42 0.98 0.00 0.00 173.24 174.71 2h3k s THR 117 N 2.40 3.36 -0.26 2.02 -4.23 -0.86 -3.83 115.64 114.25 2h3k s THR 117 Ca 0.09 -1.26 -0.01 0.00 -1.18 0.00 0.00 61.69 59.33 2h3k s THR 117 Cb -0.15 -3.16 0.14 0.00 1.34 0.00 0.00 72.50 70.67 2h3k s THR 117 CO -0.17 -0.11 0.40 -1.58 -0.54 0.00 0.00 174.62 172.63 2h3k s GLN 118 N -4.10 0.38 -0.17 3.99 0.74 -1.17 -2.28 119.66 117.06 2h3k s GLN 118 Ca 0.45 0.47 0.10 0.00 0.05 0.00 0.00 55.36 56.42 2h3k s GLN 118 Cb -0.06 -0.36 0.58 0.00 1.10 0.00 0.00 33.01 34.27 2h3k s GLN 118 CO 0.28 -0.74 1.38 -0.89 -0.55 0.00 0.00 175.29 174.78 2h3k n ILE 119 N 5.37 1.95 -3.46 -2.34 -0.00 -1.26 -4.89 119.36 114.73 2h3k n ILE 119 Ca -0.02 -0.99 -0.14 0.00 -0.00 0.00 0.00 62.75 61.60 2h3k n ILE 119 Cb 0.50 -0.34 0.00 0.00 -0.00 0.00 0.00 39.64 39.80 2h3k n ILE 119 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2h3k n ASP 120 N 0.45 -6.22 0.11 4.38 -0.08 -1.26 -4.94 116.55 108.99 2h3k n ASP 120 Ca 0.20 -0.56 0.00 0.00 -1.51 0.00 0.00 54.79 52.91 2h3k n ASP 120 Cb 0.92 -3.42 0.00 0.00 2.34 0.00 0.00 41.12 40.96 2h3k n ASP 120 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2h3k n ASP 121 N -2.24 0.36 0.08 1.67 2.03 -1.26 -5.06 116.55 112.13 2h3k n ASP 121 Ca -0.16 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2h3k n ASP 121 Cb 0.60 0.10 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 2h3k n ASP 121 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2h3k n GLY 122 N 2.35 -0.50 3.17 0.27 0.00 -1.26 -5.14 105.19 104.07 2h3k n GLY 122 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 2h3k n GLY 122 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2h3k s GLU 123 N -2.00 0.90 -0.12 1.61 -1.05 -1.26 -5.13 118.70 111.64 2h3k s GLU 123 Ca 0.00 -1.40 -0.19 0.00 -0.15 0.00 0.00 54.97 53.23 2h3k s GLU 123 Cb 0.00 -0.01 -0.04 0.00 -0.44 0.00 0.00 34.13 33.64 2h3k s GLU 123 CO 0.00 -0.14 0.52 -2.00 0.95 0.00 0.00 175.26 174.60 2h3k s GLU 124 N -3.94 4.34 -0.06 -4.83 -6.30 -1.26 -4.80 118.70 101.86 2h3k s GLU 124 Ca 0.18 0.53 -0.29 0.00 -2.50 0.00 0.00 54.97 52.89 2h3k s GLU 124 Cb 0.07 -3.45 -0.02 0.00 0.00 0.00 0.00 34.13 30.72 2h3k s GLU 124 CO -0.01 0.11 0.96 0.99 0.02 0.00 0.00 175.26 177.32 2h3k s THR 125 N 0.76 4.85 -0.20 -1.70 2.01 -0.97 -4.98 115.64 115.41 2h3k s THR 125 Ca 0.28 1.97 0.00 0.00 0.31 0.00 0.00 61.69 64.25 2h3k s THR 125 Cb -0.16 -4.28 0.05 0.00 0.01 0.00 0.00 72.50 68.12 2h3k s THR 125 CO 0.12 0.09 -0.05 0.54 -0.69 0.00 0.00 174.62 174.62 2h3k s ASN 126 N 1.04 3.34 -1.28 3.53 2.20 -1.26 -2.03 114.94 120.48 2h3k s ASN 126 Ca 0.48 -0.92 -0.10 0.00 -0.94 0.00 0.00 52.86 51.38 2h3k s ASN 126 Cb -0.19 -1.05 0.16 0.00 -2.00 0.00 0.00 41.25 38.17 2h3k s ASN 126 CO 0.22 -0.21 1.85 -1.22 -2.94 0.00 0.00 177.10 174.80 2h3k n TYR 127 N 4.78 3.15 -0.15 1.54 4.01 -0.06 -4.77 117.16 125.66 2h3k n TYR 127 Ca -0.12 -2.85 0.28 0.00 -0.16 0.00 0.00 57.90 55.05 2h3k n TYR 127 Cb 0.46 -2.00 0.72 0.00 -0.31 0.00 0.00 39.34 38.21 2h3k n TYR 127 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2h3k h ASP 128 N 5.89 0.00 -1.16 7.72 3.32 -1.89 -3.32 116.42 126.99 2h3k h ASP 128 Ca 0.40 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.48 2h3k h ASP 128 Cb 0.65 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.98 2h3k h ASP 128 CO 1.60 0.00 -0.33 -0.47 -1.72 0.00 0.00 179.24 178.32 2h3k s TYR 129 N -4.87 -1.52 -0.24 4.55 5.04 -1.26 -4.91 117.35 114.14 2h3k s TYR 129 Ca -0.05 1.42 -0.04 0.00 -2.44 0.00 0.00 57.07 55.97 2h3k s TYR 129 Cb 0.20 0.41 0.01 0.00 0.35 0.00 0.00 41.96 42.93 2h3k s TYR 129 CO 0.72 -0.90 -0.03 0.99 -1.34 0.00 0.00 175.55 174.99 2h3k s THR 130 N 2.80 3.31 -1.22 4.34 2.01 -1.04 -4.48 115.64 121.35 2h3k s THR 130 Ca 0.17 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.30 2h3k s THR 130 Cb -0.14 -2.61 0.13 0.00 0.01 0.00 0.00 72.50 69.90 2h3k s THR 130 CO -0.22 0.28 1.51 -0.75 -0.69 0.00 0.00 174.62 174.76 2h3k s LYS 131 N 1.43 4.02 -0.64 4.92 2.20 -0.41 -1.93 119.74 129.33 2h3k s LYS 131 Ca 0.03 -2.32 -0.23 0.00 -0.36 0.00 0.00 55.97 53.09 2h3k s LYS 131 Cb -0.16 -5.21 0.06 0.00 -1.51 0.00 0.00 37.83 31.01 2h3k s LYS 131 CO -0.03 -1.93 0.97 -1.17 -0.36 0.00 0.00 175.35 172.83 2h3k s LEU 132 N 2.55 4.29 -0.17 5.43 0.20 -1.08 -2.58 118.68 127.32 2h3k s LEU 132 Ca 0.46 -0.87 -0.18 0.00 0.69 0.00 0.00 54.13 54.23 2h3k s LEU 132 Cb -0.01 -2.49 -0.04 0.00 -0.43 0.00 0.00 46.19 43.23 2h3k s LEU 132 CO 0.02 -1.42 0.49 0.68 -0.29 0.00 0.00 176.35 175.83 2h3k s VAL 133 N 4.11 5.14 1.01 1.68 -7.23 -0.94 -2.75 120.40 121.41 2h3k s VAL 133 Ca 0.24 0.92 -0.12 0.00 -1.81 0.00 0.00 61.98 61.21 2h3k s VAL 133 Cb -0.16 -3.82 0.20 0.00 0.56 0.00 0.00 36.38 33.16 2h3k s VAL 133 CO 0.12 0.24 1.08 -0.36 -0.31 0.00 0.00 175.10 175.86 2h3k s PHE 134 N 1.26 1.81 0.05 2.82 0.08 0.33 -0.75 117.98 123.59 2h3k s PHE 134 Ca 0.24 1.29 0.18 0.00 0.12 0.00 0.00 56.93 58.76 2h3k s PHE 134 Cb -0.15 -3.18 0.50 0.00 -0.57 0.00 0.00 43.02 39.62 2h3k s PHE 134 CO 0.10 -3.08 1.65 0.00 -0.10 0.00 0.00 175.22 173.78 2h3k h ALA 135 N -2.05 0.88 -2.88 5.36 0.00 -0.74 -3.44 119.26 116.40 2h3k h ALA 135 Ca -0.54 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 53.96 2h3k h ALA 135 Cb 1.31 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 2h3k h ALA 135 CO 0.51 0.49 -0.05 0.15 0.00 0.00 0.00 179.25 180.36 2h3k s LYS 136 N -3.38 1.67 0.11 0.00 1.02 -1.26 -5.01 119.74 112.88 2h3k s LYS 136 Ca 0.02 -1.28 -0.31 0.00 0.02 0.00 0.00 55.97 54.42 2h3k s LYS 136 Cb 0.10 0.50 -0.07 0.00 -0.52 0.00 0.00 37.83 37.84 2h3k s LYS 136 CO 0.70 -0.71 1.26 -1.25 -0.92 0.00 0.00 175.35 174.42 2h3k s PRO 137 N -3.79 4.41 -1.20 -1.68 0.04 -1.26 -4.69 135.00 126.83 2h3k s PRO 137 Ca 0.21 1.89 -0.15 0.00 0.04 0.00 0.00 61.00 63.00 2h3k s PRO 137 Cb -0.02 -3.29 0.15 0.00 0.04 0.00 0.00 34.50 31.39 2h3k s PRO 137 CO 0.10 -0.27 1.46 0.42 0.04 0.00 0.00 177.00 178.74 2h3k s ILE 138 N 0.80 4.89 -0.15 0.56 -1.09 -1.03 -4.93 121.20 120.24 2h3k s ILE 138 Ca 0.59 -2.47 -0.17 0.00 -2.23 0.00 0.00 60.65 56.37 2h3k s ILE 138 Cb -0.33 -4.94 -0.04 0.00 -1.58 0.00 0.00 42.46 35.57 2h3k s ILE 138 CO 0.31 -1.67 0.44 -0.31 -1.23 0.00 0.00 174.94 172.48 2h3k s TYR 139 N 2.01 3.46 1.18 3.97 2.02 -1.26 -3.68 117.35 125.04 2h3k s TYR 139 Ca 0.44 0.78 -0.18 0.00 -0.37 0.00 0.00 57.07 57.74 2h3k s TYR 139 Cb -0.02 -2.53 0.27 0.00 -0.40 0.00 0.00 41.96 39.28 2h3k s TYR 139 CO 0.00 0.11 1.09 1.21 -1.57 0.00 0.00 175.55 176.39 2h3k s ASN 140 N 0.76 1.13 -0.56 2.29 2.47 -1.26 -4.96 114.94 114.81 2h3k s ASN 140 Ca 0.23 0.79 0.04 0.00 0.42 0.00 0.00 52.86 54.34 2h3k s ASN 140 Cb -0.15 -1.16 0.14 0.00 -1.45 0.00 0.00 41.25 38.64 2h3k s ASN 140 CO 0.09 -4.01 0.31 -1.81 -3.72 0.00 0.00 177.10 167.96 2h3k s ASP 141 N -3.70 4.44 0.45 -4.21 1.01 -1.26 -4.90 116.67 108.50 2h3k s ASP 141 Ca 0.69 -3.19 0.29 0.00 0.71 0.00 0.00 52.55 51.06 2h3k s ASP 141 Cb -0.12 -1.65 1.05 0.00 1.01 0.00 0.00 42.92 43.21 2h3k s ASP 141 CO 0.57 -0.20 1.85 1.55 0.21 0.00 0.00 175.17 179.14 2h3k h PRO 142 N 6.28 0.00 0.00 8.23 0.13 -1.94 -3.27 132.00 141.43 2h3k h PRO 142 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2h3k h PRO 142 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2h3k h PRO 142 CO 0.70 0.00 -1.01 0.43 -0.23 0.00 0.00 178.00 177.89 2h3k n SER 143 N -2.89 4.93 0.00 1.44 7.64 -1.26 -5.17 113.62 118.31 2h3k n SER 143 Ca 0.02 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2h3k n SER 143 Cb 0.35 1.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.56 2h3k n SER 143 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21