#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 1.40 0.00 0.00 1.01 -1.26 -5.05 116.67 112.77 2h3k s ASP 2 Ca 0.00 -0.30 0.00 0.00 0.71 0.00 0.00 52.55 52.96 2h3k s ASP 2 Cb 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 42.92 43.81 2h3k s ASP 2 CO 0.00 0.09 0.00 1.21 0.21 0.00 0.00 175.17 176.68 2h3k n GLU 3 N 2.45 3.90 -4.22 8.23 2.13 -1.26 -5.09 120.64 126.78 2h3k n GLU 3 Ca -0.16 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.32 2h3k n GLU 3 Cb 0.56 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.16 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 -1.00 5.31 0.60 4.31 0.01 -1.26 -4.73 113.70 116.95 2h3k s SER 4 Ca 0.00 0.06 0.28 0.00 1.31 0.00 0.00 55.95 57.60 2h3k s SER 4 Cb 0.00 -1.78 1.40 0.00 0.21 0.00 0.00 66.02 65.85 2h3k s SER 4 CO 0.00 0.24 1.80 -0.07 0.41 0.00 0.00 173.24 175.62 2h3k h LEU 5 N 6.19 0.00 0.00 2.44 3.38 -1.42 0.69 115.31 126.58 2h3k h LEU 5 Ca -0.40 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 2h3k h LEU 5 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2h3k h LEU 5 CO 0.63 0.00 -0.70 0.50 0.09 0.00 0.00 178.44 178.96 2h3k h LYS 6 N 0.00 0.00 -0.29 1.13 3.64 -1.64 -2.99 116.57 116.41 2h3k h LYS 6 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2h3k h LYS 6 Cb 1.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2h3k h LYS 6 CO -0.00 0.46 0.00 -0.25 -2.27 0.00 0.00 179.45 177.39 2h3k n ASP 7 N -3.15 2.87 -0.04 4.20 8.00 0.23 -4.27 116.55 124.40 2h3k n ASP 7 Ca -0.00 -1.91 -0.04 0.00 0.71 0.00 0.00 54.79 53.55 2h3k n ASP 7 Cb 0.76 -0.19 -0.05 0.00 -0.02 0.00 0.00 41.12 41.62 2h3k n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h3k n ALA 8 N 1.12 1.83 0.34 2.24 0.00 -0.67 -4.52 120.51 120.84 2h3k n ALA 8 Ca 0.18 -0.44 0.22 0.00 0.00 0.00 0.00 53.44 53.40 2h3k n ALA 8 Cb 0.52 0.14 1.15 0.00 0.00 0.00 0.00 19.45 21.27 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 0.02 -0.11 0.00 3.07 -1.70 -3.29 117.51 115.50 2h3k h ILE 9 Ca -0.19 0.00 -0.71 0.00 1.55 0.00 0.00 64.86 65.51 2h3k h ILE 9 Cb 1.40 0.95 -0.05 0.00 -0.27 0.00 0.00 36.82 38.85 2h3k h ILE 9 CO 0.00 0.00 3.03 0.29 -1.05 0.00 0.00 178.15 180.43 2h3k n LYS 10 N -3.08 2.90 -3.83 0.16 4.76 -1.26 -4.84 118.16 112.97 2h3k n LYS 10 Ca -0.03 -2.68 -0.15 0.00 -2.87 0.00 0.00 58.31 52.58 2h3k n LYS 10 Cb 0.12 -3.29 -0.16 0.00 -1.84 0.00 0.00 35.03 29.87 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 3.19 0.13 0.26 4.39 -1.08 -1.24 -5.02 116.67 117.30 2h3k s ASP 11 Ca 0.47 0.02 0.13 0.00 -0.52 0.00 0.00 52.55 52.65 2h3k s ASP 11 Cb 0.13 -0.08 0.25 0.00 -1.46 0.00 0.00 42.92 41.76 2h3k s ASP 11 CO -0.07 -0.09 1.53 1.55 0.52 0.00 0.00 175.17 178.60 2h3k h PRO 12 N 6.99 0.00 0.00 4.34 0.13 -1.93 -0.88 132.00 140.65 2h3k h PRO 12 Ca -0.40 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 2h3k h PRO 12 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2h3k h PRO 12 CO 0.49 0.62 -0.06 0.00 -0.23 0.00 0.00 178.00 178.82 2h3k h ALA 13 N 1.38 1.05 0.00 -0.56 0.00 -1.99 -3.15 119.26 115.99 2h3k h ALA 13 Ca -0.01 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2h3k h ALA 13 Cb 1.27 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2h3k h ALA 13 CO 0.08 0.08 -1.68 1.28 0.00 0.00 0.00 179.25 179.01 2h3k n LEU 14 N -3.24 0.00 -4.69 0.00 4.77 -1.17 -4.84 117.00 107.83 2h3k n LEU 14 Ca -0.00 0.00 -0.53 0.00 -0.03 0.00 0.00 56.01 55.44 2h3k n LEU 14 Cb 0.28 0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 2h3k n LEU 14 CO 0.28 0.17 1.42 1.21 -1.33 0.00 0.00 177.39 179.13 2h3k n GLU 15 N -2.22 1.61 -3.42 3.23 2.13 -0.34 -2.42 120.64 119.21 2h3k n GLU 15 Ca -0.12 0.59 -0.14 0.00 0.66 0.00 0.00 57.16 58.15 2h3k n GLU 15 Cb 0.66 -2.35 0.01 0.00 0.27 0.00 0.00 31.44 30.02 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 6.07 -6.34 -4.57 4.31 2.85 -1.21 -4.91 115.26 111.45 2h3k n ASN 16 Ca 0.25 -0.56 -0.25 0.00 -0.11 0.00 0.00 54.58 53.92 2h3k n ASN 16 Cb 0.20 -3.72 -0.09 0.00 1.24 0.00 0.00 39.78 37.41 2h3k n ASN 16 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2h3k s LYS 17 N -4.20 2.05 -1.07 1.20 2.20 -1.01 -5.06 119.74 113.85 2h3k s LYS 17 Ca 0.09 -1.45 -0.17 0.00 -0.36 0.00 0.00 55.97 54.07 2h3k s LYS 17 Cb -0.03 -2.06 0.13 0.00 -1.51 0.00 0.00 37.83 34.36 2h3k s LYS 17 CO 0.82 0.38 1.33 -2.00 -0.36 0.00 0.00 175.35 175.52 2h3k s GLU 18 N -3.32 3.80 -0.40 4.03 2.56 -1.26 -4.84 118.70 119.28 2h3k s GLU 18 Ca 0.28 -1.99 -0.01 0.00 0.00 0.00 0.00 54.97 53.25 2h3k s GLU 18 Cb -0.07 -5.08 0.25 0.00 2.00 0.00 0.00 34.13 31.24 2h3k s GLU 18 CO 0.17 -1.87 2.07 -2.39 -0.56 0.00 0.00 175.26 172.68 2h3k n HIS 19 N 6.68 1.89 -2.75 5.30 1.44 -1.26 -4.39 115.22 122.13 2h3k n HIS 19 Ca 0.32 -2.18 -0.15 0.00 -2.01 0.00 0.00 57.72 53.70 2h3k n HIS 19 Cb 0.47 -1.08 0.01 0.00 0.12 0.00 0.00 29.99 29.50 2h3k n HIS 19 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2h3k n ASP 20 N 0.13 2.04 -4.18 4.39 5.68 -1.26 -5.05 116.55 118.31 2h3k n ASP 20 Ca 0.38 -2.99 -0.35 0.00 -0.50 0.00 0.00 54.79 51.33 2h3k n ASP 20 Cb 0.59 -0.54 -0.14 0.00 -1.14 0.00 0.00 41.12 39.89 2h3k n ASP 20 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2h3k s ILE 21 N -3.47 2.89 0.00 2.12 1.01 -1.26 -5.02 121.20 117.47 2h3k s ILE 21 Ca 0.34 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.74 2h3k s ILE 21 Cb 0.42 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 40.31 2h3k s ILE 21 CO -0.03 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.54 2h3k n GLY 22 N 4.63 0.05 3.79 6.18 0.00 -1.26 -5.04 105.19 113.53 2h3k n GLY 22 Ca -0.15 -2.26 -0.31 0.00 0.00 0.00 0.00 46.02 43.31 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 2.34 0.00 1.61 0.04 -1.26 -5.06 135.00 132.67 2h3k s PRO 23 Ca 0.00 0.92 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2h3k s PRO 23 Cb 0.00 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2h3k s PRO 23 CO 0.00 -1.51 0.00 2.89 0.04 0.00 0.00 177.00 178.42 2h3k n ARG 24 N -3.40 0.00 -1.74 4.56 1.85 -1.26 -4.28 116.66 112.39 2h3k n ARG 24 Ca 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.93 2h3k n ARG 24 Cb 0.54 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.95 2h3k n ARG 24 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2h3k n GLU 25 N -0.09 0.00 -4.12 2.89 1.02 -0.51 -4.94 120.64 114.90 2h3k n GLU 25 Ca 0.00 -0.02 -0.22 0.00 -0.02 0.00 0.00 57.16 56.90 2h3k n GLU 25 Cb 0.00 0.02 -0.17 0.00 -0.02 0.00 0.00 31.44 31.27 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 -2.01 0.98 0.14 3.49 -2.07 -1.26 -2.08 119.66 116.86 2h3k s GLN 26 Ca 0.00 -0.12 0.11 0.00 -1.82 0.00 0.00 55.36 53.52 2h3k s GLN 26 Cb 0.00 -1.02 -0.04 0.00 -1.09 0.00 0.00 33.01 30.86 2h3k s GLN 26 CO 0.00 -0.13 -0.25 0.08 -1.32 0.00 0.00 175.29 173.67 2h3k s VAL 27 N 1.17 2.17 -0.07 3.63 1.01 -1.01 -4.91 120.40 122.39 2h3k s VAL 27 Ca -0.07 -1.79 -0.06 0.00 0.00 0.00 0.00 61.98 60.06 2h3k s VAL 27 Cb -0.14 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2h3k s VAL 27 CO -0.01 0.01 0.19 0.21 0.00 0.00 0.00 175.10 175.49 2h3k s ASN 28 N -2.18 6.43 -0.03 3.32 2.47 -1.26 0.14 114.94 123.83 2h3k s ASN 28 Ca 0.14 0.48 0.05 0.00 0.42 0.00 0.00 52.86 53.95 2h3k s ASN 28 Cb -0.09 -2.07 -0.01 0.00 -1.45 0.00 0.00 41.25 37.63 2h3k s ASN 28 CO 0.06 0.34 -0.17 0.72 -3.72 0.00 0.00 177.10 174.34 2h3k s PHE 29 N -1.15 1.60 -0.37 0.43 -0.12 -1.26 0.11 117.98 117.23 2h3k s PHE 29 Ca 0.21 -0.39 -0.17 0.00 -0.05 0.00 0.00 56.93 56.52 2h3k s PHE 29 Cb -0.13 -1.06 -0.00 0.00 -0.63 0.00 0.00 43.02 41.20 2h3k s PHE 29 CO 0.10 -0.10 0.45 -0.65 -0.05 0.00 0.00 175.22 174.97 2h3k s GLN 30 N -0.14 3.48 -0.23 1.99 1.11 0.10 -4.95 119.66 121.02 2h3k s GLN 30 Ca 0.01 -0.39 -0.24 0.00 0.01 0.00 0.00 55.36 54.75 2h3k s GLN 30 Cb -0.09 -3.85 -0.01 0.00 -1.01 0.00 0.00 33.01 28.05 2h3k s GLN 30 CO 0.01 -0.66 0.80 -0.51 0.01 0.00 0.00 175.29 174.94 2h3k s LEU 31 N 2.23 4.10 -0.07 2.90 1.43 -1.26 -2.42 118.68 125.58 2h3k s LEU 31 Ca 0.15 1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 54.24 2h3k s LEU 31 Cb -0.16 -3.15 0.04 0.00 0.03 0.00 0.00 46.19 42.95 2h3k s LEU 31 CO 0.13 -0.47 0.15 -0.76 0.23 0.00 0.00 176.35 175.63 2h3k s LEU 32 N 2.63 0.50 0.00 1.79 1.43 -1.06 -4.41 118.68 119.57 2h3k s LEU 32 Ca 0.34 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 2h3k s LEU 32 Cb -0.16 0.34 0.00 0.00 0.03 0.00 0.00 46.19 46.40 2h3k s LEU 32 CO 0.08 -0.17 0.00 -0.67 0.23 0.00 0.00 176.35 175.82 2h3k n ASP 33 N 4.51 0.00 -1.52 2.29 -0.08 -1.22 -2.12 116.55 118.41 2h3k n ASP 33 Ca -0.21 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.03 2h3k n ASP 33 Cb 0.51 0.00 0.18 0.00 2.34 0.00 0.00 41.12 44.15 2h3k n ASP 33 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2h3k n LYS 34 N 0.00 2.56 -0.59 -0.67 4.81 -1.26 -3.89 118.16 119.13 2h3k n LYS 34 Ca 0.00 -1.82 0.00 0.00 -0.87 0.00 0.00 58.31 55.62 2h3k n LYS 34 Cb 0.00 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.22 2h3k n LYS 34 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2h3k n ASN 35 N -0.03 0.06 -3.86 3.14 2.85 -1.26 -5.00 115.26 111.15 2h3k n ASN 35 Ca 0.25 -1.83 -0.26 0.00 -0.11 0.00 0.00 54.58 52.63 2h3k n ASN 35 Cb 1.00 -0.16 0.02 0.00 1.24 0.00 0.00 39.78 41.87 2h3k n ASN 35 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2h3k n ASN 36 N 0.04 -2.44 -4.09 1.20 4.13 -1.25 -4.97 115.26 107.87 2h3k n ASN 36 Ca -0.00 -0.85 -0.26 0.00 1.68 0.00 0.00 54.58 55.15 2h3k n ASN 36 Cb 0.70 -3.73 -0.16 0.00 -1.54 0.00 0.00 39.78 35.05 2h3k n ASN 36 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 2h3k s GLU 37 N -6.37 1.84 0.01 3.52 -1.05 -1.26 -4.96 118.70 110.43 2h3k s GLU 37 Ca 0.29 -0.55 -0.23 0.00 -0.15 0.00 0.00 54.97 54.33 2h3k s GLU 37 Cb -0.15 -1.54 -0.05 0.00 -0.44 0.00 0.00 34.13 31.95 2h3k s GLU 37 CO 0.84 0.15 0.70 0.99 0.95 0.00 0.00 175.26 178.89 2h3k s THR 38 N 0.31 4.84 0.43 1.83 2.01 -1.26 -3.45 115.64 120.36 2h3k s THR 38 Ca -0.09 1.48 -0.24 0.00 0.31 0.00 0.00 61.69 63.14 2h3k s THR 38 Cb -0.14 -4.04 -0.10 0.00 0.01 0.00 0.00 72.50 68.23 2h3k s THR 38 CO 0.03 0.36 0.99 1.67 -0.69 0.00 0.00 174.62 176.98 2h3k n GLN 39 N 2.96 1.29 -0.18 4.92 -0.06 -1.26 -4.97 117.38 120.09 2h3k n GLN 39 Ca -0.04 0.47 -0.05 0.00 -2.00 0.00 0.00 57.00 55.38 2h3k n GLN 39 Cb 0.51 -2.03 0.05 0.00 -4.06 0.00 0.00 30.24 24.70 2h3k n GLN 39 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2h3k n TYR 40 N -0.58 -3.09 -1.35 3.69 4.02 -1.26 -4.83 117.16 113.76 2h3k n TYR 40 Ca 0.10 -0.17 -0.29 0.00 -0.01 0.00 0.00 57.90 57.52 2h3k n TYR 40 Cb 0.40 -0.20 -0.07 0.00 -0.02 0.00 0.00 39.34 39.44 2h3k n TYR 40 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2h3k n TYR 41 N -2.97 1.56 -0.03 -0.72 4.02 -1.26 -4.53 117.16 113.22 2h3k n TYR 41 Ca 0.03 -2.37 -0.01 0.00 -0.01 0.00 0.00 57.90 55.53 2h3k n TYR 41 Cb 0.11 -1.94 -0.00 0.00 -0.02 0.00 0.00 39.34 37.49 2h3k n TYR 41 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2h3k h HIS 42 N 4.00 0.00 -1.98 -0.72 3.86 -2.01 -3.49 115.15 114.81 2h3k h HIS 42 Ca 0.56 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 59.15 2h3k h HIS 42 Cb 0.74 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.08 2h3k h HIS 42 CO 1.75 0.00 -0.69 0.12 0.86 0.00 0.00 177.93 179.97 2h3k s PHE 43 N -1.41 2.38 -0.44 2.45 5.36 -1.26 -5.08 117.98 119.98 2h3k s PHE 43 Ca -0.04 -0.49 0.09 0.00 -0.96 0.00 0.00 56.93 55.54 2h3k s PHE 43 Cb 0.01 -1.34 0.33 0.00 -0.34 0.00 0.00 43.02 41.67 2h3k s PHE 43 CO 0.06 0.59 0.75 1.19 -1.46 0.00 0.00 175.22 176.35 2h3k n PHE 44 N -0.77 1.25 0.07 10.12 3.72 -1.26 -4.97 117.46 125.63 2h3k n PHE 44 Ca -0.05 -3.85 -0.03 0.00 -0.05 0.00 0.00 57.45 53.47 2h3k n PHE 44 Cb 0.63 -0.44 -0.01 0.00 -0.94 0.00 0.00 39.48 38.72 2h3k n PHE 44 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2h3k h SER 45 N 3.22 -0.17 -4.26 4.37 0.02 -1.95 -3.41 113.55 111.37 2h3k h SER 45 Ca 0.11 0.01 -0.47 0.00 -0.84 0.00 0.00 61.79 60.60 2h3k h SER 45 Cb 0.82 0.04 0.09 0.00 0.14 0.00 0.00 62.40 63.50 2h3k h SER 45 CO 0.59 -0.09 0.34 -0.63 -1.14 0.00 0.00 176.83 175.90 2h3k s ILE 46 N -2.91 2.31 0.00 3.27 1.09 -1.26 0.63 121.20 124.34 2h3k s ILE 46 Ca -0.03 -0.05 0.00 0.00 -1.10 0.00 0.00 60.65 59.47 2h3k s ILE 46 Cb 0.00 -3.07 0.00 0.00 -1.06 0.00 0.00 42.46 38.34 2h3k s ILE 46 CO 0.09 -0.08 0.00 1.17 -0.10 0.00 0.00 174.94 176.01 2h3k n LYS 47 N -3.12 0.00 -1.79 2.79 3.00 -1.26 -4.88 118.16 112.90 2h3k n LYS 47 Ca 0.08 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.07 2h3k n LYS 47 Cb 0.60 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.66 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 -0.61 5.57 0.64 3.14 1.11 -1.26 -5.02 116.67 120.25 2h3k s ASP 48 Ca 0.00 1.71 -0.14 0.00 0.18 0.00 0.00 52.55 54.30 2h3k s ASP 48 Cb 0.00 -2.51 -0.01 0.00 1.07 0.00 0.00 42.92 41.46 2h3k s ASP 48 CO 0.00 -1.31 1.07 -2.16 1.18 0.00 0.00 175.17 173.95 2h3k s PRO 49 N -4.59 3.05 -1.02 8.23 0.04 -1.26 -4.59 135.00 134.86 2h3k s PRO 49 Ca 0.61 1.18 -0.24 0.00 0.04 0.00 0.00 61.00 62.59 2h3k s PRO 49 Cb -0.15 -2.00 -0.14 0.00 0.04 0.00 0.00 34.50 32.25 2h3k s PRO 49 CO 0.46 -1.02 1.94 0.00 0.04 0.00 0.00 177.00 178.42 2h3k n ALA 50 N -2.46 1.79 -1.69 8.56 0.00 0.37 -4.61 120.51 122.47 2h3k n ALA 50 Ca 0.09 -2.94 -0.44 0.00 0.00 0.00 0.00 53.44 50.15 2h3k n ALA 50 Cb 0.53 -3.51 -0.03 0.00 0.00 0.00 0.00 19.45 16.44 2h3k n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2h3k n ASP 51 N 13.62 3.19 -4.78 0.00 8.00 -0.74 -2.41 116.55 133.42 2h3k n ASP 51 Ca 0.45 1.12 -0.36 0.00 0.71 0.00 0.00 54.79 56.71 2h3k n ASP 51 Cb 0.45 -1.48 -0.08 0.00 -0.02 0.00 0.00 41.12 40.00 2h3k n ASP 51 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2h3k s VAL 52 N 0.32 4.93 -0.56 2.53 1.01 -0.88 0.16 120.40 127.90 2h3k s VAL 52 Ca 0.71 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.69 2h3k s VAL 52 Cb -0.61 -3.12 0.14 0.00 0.00 0.00 0.00 36.38 32.79 2h3k s VAL 52 CO 0.45 0.61 0.33 -0.31 0.00 0.00 0.00 175.10 176.17 2h3k s TYR 53 N -0.94 3.28 -0.69 5.22 1.51 0.19 -1.43 117.35 124.49 2h3k s TYR 53 Ca 0.14 -3.00 -0.26 0.00 -1.01 0.00 0.00 57.07 52.93 2h3k s TYR 53 Cb -0.12 -2.97 -0.01 0.00 -0.11 0.00 0.00 41.96 38.76 2h3k s TYR 53 CO 0.03 -0.78 1.71 0.71 -1.11 0.00 0.00 175.55 176.11 2h3k s TYR 54 N -0.20 1.87 0.00 2.71 2.02 -1.26 -1.96 117.35 120.53 2h3k s TYR 54 Ca 0.17 0.49 0.00 0.00 -0.37 0.00 0.00 57.07 57.36 2h3k s TYR 54 Cb -0.24 -4.25 0.00 0.00 -0.40 0.00 0.00 41.96 37.08 2h3k s TYR 54 CO -0.01 -2.17 0.00 0.25 -1.57 0.00 0.00 175.55 172.04 2h3k n THR 55 N 7.06 0.00 -0.31 -0.71 -2.24 -1.25 -4.65 114.28 112.19 2h3k n THR 55 Ca 0.19 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.96 2h3k n THR 55 Cb 0.51 -1.16 0.23 0.00 -2.10 0.00 0.00 70.33 67.80 2h3k n THR 55 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2h3k n LYS 56 N 0.00 3.09 0.13 -0.78 4.81 -1.26 -4.47 118.16 119.67 2h3k n LYS 56 Ca 0.00 -2.05 0.00 0.00 -0.87 0.00 0.00 58.31 55.39 2h3k n LYS 56 Cb 0.00 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.11 2h3k n LYS 56 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2h3k n LYS 57 N 0.13 0.00 -3.60 1.64 5.02 -1.26 -5.14 118.16 114.95 2h3k n LYS 57 Ca 0.24 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.38 2h3k n LYS 57 Cb 0.99 -0.04 -0.06 0.00 -0.02 0.00 0.00 35.03 35.90 2h3k n LYS 57 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2h3k s LYS 58 N -1.89 0.97 0.72 1.97 2.47 -1.26 -5.04 119.74 117.66 2h3k s LYS 58 Ca 0.00 -0.07 -0.16 0.00 -1.56 0.00 0.00 55.97 54.18 2h3k s LYS 58 Cb 0.00 0.44 0.03 0.00 -1.46 0.00 0.00 37.83 36.84 2h3k s LYS 58 CO 0.00 -0.32 1.23 0.00 0.16 0.00 0.00 175.35 176.42 2h3k n ALA 59 N 0.75 0.58 -3.63 3.13 0.00 -1.26 -3.82 120.51 116.25 2h3k n ALA 59 Ca -0.19 -0.14 -0.28 0.00 0.00 0.00 0.00 53.44 52.82 2h3k n ALA 59 Cb 0.58 -2.28 -0.16 0.00 0.00 0.00 0.00 19.45 17.60 2h3k n ALA 59 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2h3k s GLU 60 N -3.66 0.35 0.22 0.00 0.41 -0.83 -2.81 118.70 112.40 2h3k s GLU 60 Ca 0.78 -0.53 -0.30 0.00 -0.41 0.00 0.00 54.97 54.52 2h3k s GLU 60 Cb -0.34 -1.64 -0.09 0.00 -1.78 0.00 0.00 34.13 30.29 2h3k s GLU 60 CO 0.45 -0.87 0.99 0.08 -0.49 0.00 0.00 175.26 175.42 2h3k s VAL 61 N 1.97 3.98 0.04 2.63 1.01 -0.97 0.56 120.40 129.62 2h3k s VAL 61 Ca 0.06 1.91 0.07 0.00 0.00 0.00 0.00 61.98 64.02 2h3k s VAL 61 Cb -0.16 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 2h3k s VAL 61 CO -0.24 0.42 -0.19 -0.70 0.00 0.00 0.00 175.10 174.39 2h3k s GLU 62 N -0.99 1.31 0.20 2.72 2.12 0.42 -2.21 118.70 122.27 2h3k s GLU 62 Ca 0.43 -0.88 0.07 0.00 0.36 0.00 0.00 54.97 54.95 2h3k s GLU 62 Cb -0.27 -1.40 -0.05 0.00 0.26 0.00 0.00 34.13 32.67 2h3k s GLU 62 CO 0.34 0.36 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.79 2h3k s LEU 63 N -1.10 2.52 0.12 2.70 1.43 -0.29 -1.79 118.68 122.27 2h3k s LEU 63 Ca 0.06 -1.05 0.04 0.00 -1.03 0.00 0.00 54.13 52.15 2h3k s LEU 63 Cb -0.08 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 2h3k s LEU 63 CO 0.01 -0.24 0.12 -0.62 0.23 0.00 0.00 176.35 175.85 2h3k s ASP 64 N -3.30 5.57 -0.33 2.29 2.15 -1.26 -2.93 116.67 118.86 2h3k s ASP 64 Ca 0.22 -0.06 -0.01 0.00 0.43 0.00 0.00 52.55 53.13 2h3k s ASP 64 Cb 0.01 -1.49 0.11 0.00 -0.30 0.00 0.00 42.92 41.25 2h3k s ASP 64 CO 0.06 0.12 0.15 -0.63 -0.17 0.00 0.00 175.17 174.70 2h3k s ILE 65 N -1.58 0.49 0.21 4.11 1.09 -0.58 -4.05 121.20 120.88 2h3k s ILE 65 Ca 0.30 -1.39 -0.09 0.00 -1.10 0.00 0.00 60.65 58.37 2h3k s ILE 65 Cb -0.11 -1.37 0.15 0.00 -1.06 0.00 0.00 42.46 40.07 2h3k s ILE 65 CO 0.23 -0.78 1.83 -1.13 -0.10 0.00 0.00 174.94 174.99 2h3k h ASN 66 N 7.82 0.68 -2.90 3.58 -1.24 -0.02 -1.60 115.58 121.89 2h3k h ASN 66 Ca -0.10 0.01 -0.81 0.00 0.71 0.00 0.00 56.30 56.11 2h3k h ASN 66 Cb 0.99 -0.13 -0.27 0.00 0.73 0.00 0.00 38.32 39.64 2h3k h ASN 66 CO 0.42 0.45 0.81 0.35 -1.29 0.00 0.00 177.43 178.18 2h3k n THR 67 N -4.70 5.23 0.42 -3.57 -2.24 -1.26 -3.92 114.28 104.25 2h3k n THR 67 Ca 0.08 -5.82 0.09 0.00 -2.27 0.00 0.00 64.05 56.14 2h3k n THR 67 Cb 0.12 -2.14 0.40 0.00 -2.10 0.00 0.00 70.33 66.62 2h3k n THR 67 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h3k n ALA 68 N 1.57 1.63 0.36 6.98 0.00 -1.19 -2.22 120.51 127.63 2h3k n ALA 68 Ca 0.26 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.85 2h3k n ALA 68 Cb 0.34 -1.31 0.09 0.00 0.00 0.00 0.00 19.45 18.58 2h3k n ALA 68 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2h3k h SER 69 N 0.00 0.00 1.56 0.00 4.64 -1.91 -3.32 113.55 114.51 2h3k h SER 69 Ca 0.00 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2h3k h SER 69 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2h3k h SER 69 CO 0.00 0.06 -0.44 0.71 -0.87 0.00 0.00 176.83 176.29 2h3k h THR 70 N 0.00 0.00 -3.36 2.95 1.35 -1.78 -3.45 112.91 108.62 2h3k h THR 70 Ca 0.00 -1.01 -0.56 0.00 -0.55 0.00 0.00 66.41 64.29 2h3k h THR 70 Cb 0.86 1.78 -0.06 0.00 -1.73 0.00 0.00 68.15 69.01 2h3k h THR 70 CO 0.00 0.00 0.13 0.26 -0.25 0.00 0.00 175.52 175.66 2h3k s TRP 71 N -3.28 3.55 -0.18 4.73 0.52 -1.24 -3.12 118.94 119.93 2h3k s TRP 71 Ca 0.04 1.25 -0.07 0.00 0.02 0.00 0.00 56.10 57.34 2h3k s TRP 71 Cb 0.07 -2.83 -0.09 0.00 -1.15 0.00 0.00 33.47 29.47 2h3k s TRP 71 CO 0.72 0.04 -0.21 1.17 0.02 0.00 0.00 176.95 178.69 2h3k n LYS 72 N 3.98 0.39 -4.57 4.98 0.00 -1.03 -2.79 118.16 119.13 2h3k n LYS 72 Ca -0.00 0.15 -0.27 0.00 0.00 0.00 0.00 58.31 58.19 2h3k n LYS 72 Cb 0.51 -1.19 -0.09 0.00 0.00 0.00 0.00 35.03 34.26 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 -2.33 1.95 -0.29 1.64 2.20 -1.26 -1.33 119.74 120.32 2h3k s LYS 73 Ca -0.25 -2.19 -0.26 0.00 -0.36 0.00 0.00 55.97 52.92 2h3k s LYS 73 Cb 0.09 -0.92 0.17 0.00 -1.51 0.00 0.00 37.83 35.66 2h3k s LYS 73 CO 0.34 -0.38 1.32 0.12 -0.36 0.00 0.00 175.35 176.39 2h3k s PHE 74 N -3.12 -0.16 -0.29 4.03 5.36 -1.23 -3.92 117.98 118.64 2h3k s PHE 74 Ca 0.22 0.38 -0.14 0.00 -0.96 0.00 0.00 56.93 56.43 2h3k s PHE 74 Cb 0.04 0.46 0.14 0.00 -0.34 0.00 0.00 43.02 43.31 2h3k s PHE 74 CO 0.12 -0.09 0.86 -1.21 -1.46 0.00 0.00 175.22 173.44 2h3k s GLU 75 N -0.08 0.44 -0.11 10.12 2.02 0.20 -4.89 118.70 126.40 2h3k s GLU 75 Ca 0.06 0.97 -0.06 0.00 0.02 0.00 0.00 54.97 55.96 2h3k s GLU 75 Cb -0.04 0.43 -0.04 0.00 0.10 0.00 0.00 34.13 34.58 2h3k s GLU 75 CO -0.12 -0.13 0.11 0.08 0.02 0.00 0.00 175.26 175.22 2h3k s VAL 76 N 2.20 5.26 -0.11 2.63 1.01 -1.26 0.16 120.40 130.28 2h3k s VAL 76 Ca -0.06 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 2h3k s VAL 76 Cb -0.07 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 33.05 2h3k s VAL 76 CO -0.18 0.60 -0.06 -0.47 0.00 0.00 0.00 175.10 175.00 2h3k s TYR 77 N -1.01 1.37 0.06 5.22 5.04 -0.67 -0.86 117.35 126.49 2h3k s TYR 77 Ca 0.15 -0.68 0.03 0.00 -2.44 0.00 0.00 57.07 54.13 2h3k s TYR 77 Cb -0.12 -1.17 -0.03 0.00 0.35 0.00 0.00 41.96 40.99 2h3k s TYR 77 CO 0.04 -0.49 -0.09 -1.83 -1.34 0.00 0.00 175.55 171.84 2h3k s GLU 78 N 1.75 0.65 0.00 4.97 -1.05 -1.04 -1.23 118.70 122.75 2h3k s GLU 78 Ca 0.05 -0.89 0.00 0.00 -0.15 0.00 0.00 54.97 53.98 2h3k s GLU 78 Cb -0.13 -0.41 0.00 0.00 -0.44 0.00 0.00 34.13 33.15 2h3k s GLU 78 CO -0.08 0.07 0.00 -1.71 0.95 0.00 0.00 175.26 174.50 2h3k n ASN 79 N 1.20 0.00 -2.16 0.83 2.85 -1.26 -2.74 115.26 113.97 2h3k n ASN 79 Ca -0.21 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.24 2h3k n ASN 79 Cb 0.55 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.60 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 1.52 -0.75 -3.63 1.20 5.15 -1.26 -5.15 115.26 112.34 2h3k n ASN 80 Ca 0.00 -1.51 -0.05 0.00 -0.60 0.00 0.00 54.58 52.42 2h3k n ASN 80 Cb 0.00 0.52 -0.05 0.00 -0.53 0.00 0.00 39.78 39.72 2h3k n ASN 80 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2h3k s GLN 81 N 0.04 0.22 -0.03 1.20 2.00 -1.11 -5.15 119.66 116.85 2h3k s GLN 81 Ca 0.04 0.08 -0.19 0.00 -2.00 0.00 0.00 55.36 53.29 2h3k s GLN 81 Cb 0.12 0.11 -0.05 0.00 0.80 0.00 0.00 33.01 33.98 2h3k s GLN 81 CO -0.03 -0.06 0.54 0.15 -0.50 0.00 0.00 175.29 175.38 2h3k s LYS 82 N -0.87 4.25 0.06 1.67 -0.14 -1.26 -2.49 119.74 120.97 2h3k s LYS 82 Ca 0.06 0.61 -0.19 0.00 -1.36 0.00 0.00 55.97 55.09 2h3k s LYS 82 Cb -0.01 -3.34 -0.07 0.00 -1.68 0.00 0.00 37.83 32.73 2h3k s LYS 82 CO -0.06 0.38 0.56 -0.51 -0.76 0.00 0.00 175.35 174.97 2h3k s LEU 83 N -0.18 4.52 -0.77 3.17 1.43 -0.04 -4.98 118.68 121.82 2h3k s LEU 83 Ca 0.29 1.24 -0.26 0.00 -1.03 0.00 0.00 54.13 54.37 2h3k s LEU 83 Cb -0.17 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.18 2h3k s LEU 83 CO 0.15 0.27 1.52 -2.16 0.23 0.00 0.00 176.35 176.36 2h3k s PRO 84 N -1.04 3.06 0.29 1.29 0.04 -1.26 -4.23 135.00 133.14 2h3k s PRO 84 Ca 0.29 -0.18 -0.29 0.00 0.04 0.00 0.00 61.00 60.85 2h3k s PRO 84 Cb -0.19 -4.52 -0.10 0.00 0.04 0.00 0.00 34.50 29.73 2h3k s PRO 84 CO 0.19 -2.42 1.30 0.54 0.04 0.00 0.00 177.00 176.65 2h3k s VAL 85 N 6.86 2.90 0.05 -0.36 0.11 -1.26 -4.91 120.40 123.79 2h3k s VAL 85 Ca 0.48 0.84 0.06 0.00 -2.93 0.00 0.00 61.98 60.44 2h3k s VAL 85 Cb -0.08 -3.54 -0.03 0.00 -1.53 0.00 0.00 36.38 31.21 2h3k s VAL 85 CO 0.11 0.18 -0.17 0.00 -3.33 0.00 0.00 175.10 171.88 2h3k s ARG 86 N -1.20 1.08 -0.06 1.54 1.70 -1.23 -4.99 118.95 115.80 2h3k s ARG 86 Ca 0.51 -0.89 -0.20 0.00 -0.47 0.00 0.00 55.73 54.69 2h3k s ARG 86 Cb -0.38 -1.15 -0.05 0.00 -0.57 0.00 0.00 34.95 32.80 2h3k s ARG 86 CO 0.47 0.28 0.55 -1.17 -1.08 0.00 0.00 175.30 174.35 2h3k s LEU 87 N -1.32 4.35 -0.21 -1.89 0.20 -1.26 -2.77 118.68 115.79 2h3k s LEU 87 Ca 0.04 1.02 0.06 0.00 0.69 0.00 0.00 54.13 55.93 2h3k s LEU 87 Cb -0.09 -2.83 -0.17 0.00 -0.43 0.00 0.00 46.19 42.67 2h3k s LEU 87 CO 0.02 0.05 -0.12 1.33 -0.29 0.00 0.00 176.35 177.35 2h3k n VAL 88 N 3.16 1.26 -3.65 1.68 0.24 -0.36 -5.01 118.33 115.66 2h3k n VAL 88 Ca -0.07 -0.58 -0.15 0.00 -2.04 0.00 0.00 64.34 61.51 2h3k n VAL 88 Cb 0.51 -1.05 -0.08 0.00 -1.47 0.00 0.00 33.84 31.76 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 -5.85 -0.45 -0.14 -1.34 0.15 -1.22 -4.67 113.70 100.17 2h3k s SER 89 Ca -0.23 0.56 -0.06 0.00 0.70 0.00 0.00 55.95 56.92 2h3k s SER 89 Cb 0.07 0.59 0.06 0.00 -1.71 0.00 0.00 66.02 65.03 2h3k s SER 89 CO 0.59 -0.44 0.32 -0.47 1.20 0.00 0.00 173.24 174.43 2h3k s TYR 90 N -0.88 -0.50 0.52 3.44 5.04 -1.11 0.53 117.35 124.40 2h3k s TYR 90 Ca -0.09 1.09 -0.19 0.00 -2.44 0.00 0.00 57.07 55.44 2h3k s TYR 90 Cb -0.03 0.13 -0.07 0.00 0.35 0.00 0.00 41.96 42.34 2h3k s TYR 90 CO 0.06 -0.33 1.05 -1.12 -1.34 0.00 0.00 175.55 173.86 2h3k s SER 91 N 1.81 6.14 0.92 4.32 0.01 0.35 -3.36 113.70 123.88 2h3k s SER 91 Ca -0.05 1.91 -0.11 0.00 1.31 0.00 0.00 55.95 59.00 2h3k s SER 91 Cb -0.11 -2.55 0.14 0.00 0.21 0.00 0.00 66.02 63.71 2h3k s SER 91 CO -0.10 -0.92 1.09 -2.16 0.41 0.00 0.00 173.24 171.55 2h3k s PRO 92 N -3.49 1.08 0.15 12.44 0.04 -1.26 -3.62 135.00 140.34 2h3k s PRO 92 Ca 0.67 0.95 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 2h3k s PRO 92 Cb -0.17 -1.78 0.16 0.00 0.04 0.00 0.00 34.50 32.75 2h3k s PRO 92 CO 0.25 -2.40 1.02 0.28 0.04 0.00 0.00 177.00 176.20 2h3k n VAL 93 N -4.01 -0.35 -0.21 -0.36 0.31 -1.26 0.13 118.33 112.59 2h3k n VAL 93 Ca 0.07 1.54 0.05 0.00 -0.01 0.00 0.00 64.34 66.00 2h3k n VAL 93 Cb 0.54 -2.04 0.32 0.00 -0.91 0.00 0.00 33.84 31.76 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 0.81 0.03 5.55 0.13 -2.03 -2.10 132.00 134.39 2h3k h PRO 94 Ca 0.23 -0.05 -0.29 0.00 -0.87 0.00 0.00 66.00 65.02 2h3k h PRO 94 Cb 0.39 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 31.30 2h3k h PRO 94 CO -0.65 0.54 -1.60 0.93 -0.23 0.00 0.00 178.00 176.98 2h3k h GLU 95 N 0.84 0.07 -6.08 0.86 5.08 0.27 -3.49 114.58 112.12 2h3k h GLU 95 Ca 0.32 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2h3k h GLU 95 Cb 0.20 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2h3k h GLU 95 CO -0.11 0.75 -1.01 -3.47 -1.00 0.00 0.00 179.01 174.18 2h3k n ASP 96 N -3.21 -6.78 -3.46 1.42 2.03 0.36 -4.92 116.55 101.99 2h3k n ASP 96 Ca -0.16 0.54 0.01 0.00 0.52 0.00 0.00 54.79 55.70 2h3k n ASP 96 Cb 1.03 -2.61 -0.03 0.00 -0.72 0.00 0.00 41.12 38.78 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 -1.31 -1.11 -0.10 -0.67 3.76 -1.24 -4.44 115.29 110.18 2h3k s HIS 97 Ca 0.08 1.75 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 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 0.36 -0.56 -0.09 0.00 -0.85 0.00 0.00 174.74 173.59 2h3k s ALA 98 N 2.75 2.83 -0.26 -1.40 0.00 -0.61 0.13 121.76 125.20 2h3k s ALA 98 Ca -0.01 -0.89 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 2h3k s ALA 98 Cb -0.10 -1.25 0.02 0.00 0.00 0.00 0.00 23.12 21.79 2h3k s ALA 98 CO -0.18 0.41 -0.01 0.71 0.00 0.00 0.00 175.76 176.69 2h3k s TYR 99 N -0.24 3.09 0.28 0.00 2.02 0.19 -1.53 117.35 121.15 2h3k s TYR 99 Ca 0.03 -1.26 0.08 0.00 -0.37 0.00 0.00 57.07 55.55 2h3k s TYR 99 Cb -0.13 -2.14 -0.06 0.00 -0.40 0.00 0.00 41.96 39.24 2h3k s TYR 99 CO 0.03 -0.65 -0.11 0.96 -1.57 0.00 0.00 175.55 174.21 2h3k s ILE 100 N 1.41 1.95 -0.09 2.71 -5.25 -1.15 -1.22 121.20 119.56 2h3k s ILE 100 Ca 0.02 -2.21 -0.31 0.00 -0.99 0.00 0.00 60.65 57.16 2h3k s ILE 100 Cb -0.17 -2.39 0.09 0.00 2.95 0.00 0.00 42.46 42.95 2h3k s ILE 100 CO -0.02 -0.35 0.80 0.00 -1.79 0.00 0.00 174.94 173.58 2h3k s ARG 101 N -3.65 0.88 0.21 0.37 1.70 -1.11 -1.14 118.95 116.22 2h3k s ARG 101 Ca 0.29 0.20 0.03 0.00 -0.47 0.00 0.00 55.73 55.78 2h3k s ARG 101 Cb 0.01 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.76 2h3k s ARG 101 CO 0.13 -0.28 -0.01 -0.59 -1.08 0.00 0.00 175.30 173.46 2h3k s PHE 102 N -1.22 1.45 0.62 5.89 -0.12 -0.94 -3.47 117.98 120.20 2h3k s PHE 102 Ca -0.07 -0.92 -0.15 0.00 -0.05 0.00 0.00 56.93 55.74 2h3k s PHE 102 Cb -0.00 -0.82 -0.02 0.00 -0.63 0.00 0.00 43.02 41.54 2h3k s PHE 102 CO 0.06 -0.06 1.06 -1.25 -0.05 0.00 0.00 175.22 174.99 2h3k s PRO 103 N -3.86 3.15 -0.33 1.99 0.04 -1.26 -2.28 135.00 132.45 2h3k s PRO 103 Ca 0.26 1.18 -0.01 0.00 0.04 0.00 0.00 61.00 62.47 2h3k s PRO 103 Cb 0.05 -2.01 0.13 0.00 0.04 0.00 0.00 34.50 32.71 2h3k s PRO 103 CO 0.07 -0.94 0.21 0.14 0.04 0.00 0.00 177.00 176.51 2h3k s VAL 104 N -2.56 -0.04 0.46 -0.36 -7.23 -1.12 -4.89 120.40 104.65 2h3k s VAL 104 Ca 0.63 -1.19 0.01 0.00 -1.81 0.00 0.00 61.98 59.63 2h3k s VAL 104 Cb -0.16 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.78 2h3k s VAL 104 CO 0.41 -0.81 0.67 -0.55 -0.31 0.00 0.00 175.10 174.52 2h3k s SER 105 N 1.59 5.73 -2.17 4.85 0.15 -1.26 -4.26 113.70 118.32 2h3k s SER 105 Ca 0.14 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.97 2h3k s SER 105 Cb -0.19 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 2h3k s SER 105 CO -0.16 -0.77 0.00 -0.67 1.20 0.00 0.00 173.24 172.85 2h3k n ASP 106 N -2.09 -5.53 -1.38 5.45 -0.08 -1.26 -1.50 116.55 110.16 2h3k n ASP 106 Ca 0.03 0.48 -0.12 0.00 -1.51 0.00 0.00 54.79 53.66 2h3k n ASP 106 Cb 0.58 -4.84 -0.01 0.00 2.34 0.00 0.00 41.12 39.19 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 -0.46 0.00 3.35 0.27 0.00 -1.23 -4.86 105.19 102.26 2h3k n GLY 107 Ca -0.21 -0.37 -0.59 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.88 0.00 0.00 2.61 -1.04 -0.56 -2.62 114.28 108.79 2h3k n THR 108 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2h3k n THR 108 Cb 0.59 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 2h3k n THR 108 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2h3k n GLN 109 N 2.63 4.75 -3.74 -2.82 7.27 -1.26 -2.62 117.38 121.60 2h3k n GLN 109 Ca 0.24 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 57.12 2h3k n GLN 109 Cb 0.00 -0.56 -0.17 0.00 2.41 0.00 0.00 30.24 31.92 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 -1.09 0.08 0.01 3.69 2.02 -1.26 0.16 118.70 122.31 2h3k s GLU 110 Ca 0.00 0.26 -0.02 0.00 0.02 0.00 0.00 54.97 55.23 2h3k s GLU 110 Cb 0.00 -0.53 -0.01 0.00 0.10 0.00 0.00 34.13 33.69 2h3k s GLU 110 CO 0.00 -0.27 0.03 -0.48 0.02 0.00 0.00 175.26 174.56 2h3k s LEU 111 N 1.78 1.97 0.65 1.80 2.34 -1.06 -4.74 118.68 121.42 2h3k s LEU 111 Ca 0.00 -0.28 -0.10 0.00 0.06 0.00 0.00 54.13 53.81 2h3k s LEU 111 Cb -0.12 0.26 0.00 0.00 -0.56 0.00 0.00 46.19 45.76 2h3k s LEU 111 CO -0.03 -0.25 1.02 -0.54 -1.06 0.00 0.00 176.35 175.49 2h3k s LYS 112 N -1.08 3.04 -0.05 1.48 3.01 -0.36 -2.07 119.74 123.71 2h3k s LYS 112 Ca -0.12 0.38 0.00 0.00 -1.01 0.00 0.00 55.97 55.22 2h3k s LYS 112 Cb -0.07 -2.12 0.03 0.00 -1.01 0.00 0.00 37.83 34.66 2h3k s LYS 112 CO -0.00 -0.82 -0.01 0.42 0.51 0.00 0.00 175.35 175.45 2h3k s ILE 113 N -3.20 0.33 -0.24 2.17 1.01 0.15 -1.68 121.20 119.75 2h3k s ILE 113 Ca 0.56 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 61.23 2h3k s ILE 113 Cb -0.11 -0.42 0.02 0.00 0.01 0.00 0.00 42.46 41.95 2h3k s ILE 113 CO 0.50 0.20 -0.06 -0.69 0.00 0.00 0.00 174.94 174.89 2h3k s VAL 114 N 1.28 2.98 0.32 2.92 1.01 0.41 -2.17 120.40 127.15 2h3k s VAL 114 Ca -0.06 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 2h3k s VAL 114 Cb -0.13 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.84 2h3k s VAL 114 CO -0.02 0.28 0.81 -0.94 0.00 0.00 0.00 175.10 175.22 2h3k s SER 115 N 1.37 -0.08 -0.10 3.32 1.04 -1.13 0.59 113.70 118.70 2h3k s SER 115 Ca 0.02 -0.90 -0.18 0.00 0.48 0.00 0.00 55.95 55.37 2h3k s SER 115 Cb -0.16 0.76 0.04 0.00 0.10 0.00 0.00 66.02 66.76 2h3k s SER 115 CO -0.05 -1.48 0.44 -0.44 0.98 0.00 0.00 173.24 172.69 2h3k s SER 116 N -3.05 -0.40 0.17 7.02 0.01 -1.25 -0.39 113.70 115.80 2h3k s SER 116 Ca 0.15 0.60 0.01 0.00 1.31 0.00 0.00 55.95 58.02 2h3k s SER 116 Cb -0.05 0.66 -0.05 0.00 0.21 0.00 0.00 66.02 66.80 2h3k s SER 116 CO 0.09 -0.32 0.02 0.42 0.41 0.00 0.00 173.24 173.86 2h3k s THR 117 N -0.50 0.55 -0.20 1.44 -4.23 0.23 -2.46 115.64 110.48 2h3k s THR 117 Ca -0.06 -1.97 -0.04 0.00 -1.18 0.00 0.00 61.69 58.44 2h3k s THR 117 Cb -0.03 -2.14 0.10 0.00 1.34 0.00 0.00 72.50 71.77 2h3k s THR 117 CO 0.03 -0.44 0.33 -1.58 -0.54 0.00 0.00 174.62 172.42 2h3k s GLN 118 N -3.95 0.27 -0.28 3.99 0.74 -1.18 -0.78 119.66 118.47 2h3k s GLN 118 Ca 0.25 0.60 0.12 0.00 0.05 0.00 0.00 55.36 56.38 2h3k s GLN 118 Cb 0.06 -0.39 0.66 0.00 1.10 0.00 0.00 33.01 34.44 2h3k s GLN 118 CO 0.04 -0.50 1.66 -0.89 -0.55 0.00 0.00 175.29 175.04 2h3k n ILE 119 N 5.36 2.71 -3.65 -2.34 -0.00 -1.26 -4.87 119.36 115.30 2h3k n ILE 119 Ca -0.05 -1.87 -0.26 0.00 -0.00 0.00 0.00 62.75 60.57 2h3k n ILE 119 Cb 0.50 -0.32 0.04 0.00 -0.00 0.00 0.00 39.64 39.85 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 -0.38 -3.83 0.00 4.38 -0.08 -1.26 -4.93 116.55 110.45 2h3k n ASP 120 Ca 0.34 -0.92 0.00 0.00 -1.51 0.00 0.00 54.79 52.71 2h3k n ASP 120 Cb 1.20 -3.81 0.00 0.00 2.34 0.00 0.00 41.12 40.86 2h3k n ASP 120 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2h3k n ASP 121 N -2.89 0.00 0.19 1.67 8.00 -1.26 -5.09 116.55 117.17 2h3k n ASP 121 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2h3k n ASP 121 Cb 0.63 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 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 3.43 -1.18 3.52 0.44 0.00 -1.26 -5.12 105.19 105.02 2h3k n GLY 122 Ca 0.00 0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 2.60 -0.28 1.61 2.02 -1.26 -5.07 118.70 116.32 2h3k s GLU 123 Ca 0.00 -0.64 -0.29 0.00 0.02 0.00 0.00 54.97 54.06 2h3k s GLU 123 Cb 0.00 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.76 2h3k s GLU 123 CO 0.00 0.64 1.38 -2.00 0.02 0.00 0.00 175.26 175.30 2h3k s GLU 124 N -0.77 3.89 -0.49 1.61 2.12 -1.26 -4.85 118.70 118.94 2h3k s GLU 124 Ca 0.12 1.36 -0.29 0.00 0.36 0.00 0.00 54.97 56.52 2h3k s GLU 124 Cb -0.11 -3.92 -0.10 0.00 0.26 0.00 0.00 34.13 30.27 2h3k s GLU 124 CO 0.01 -1.16 2.38 2.41 -0.54 0.00 0.00 175.26 178.37 2h3k n THR 125 N 6.24 0.05 -3.84 -1.70 -1.04 0.04 -4.84 114.28 109.19 2h3k n THR 125 Ca 0.16 -0.52 -0.35 0.00 -2.04 0.00 0.00 64.05 61.30 2h3k n THR 125 Cb 0.46 -2.19 -0.13 0.00 -1.82 0.00 0.00 70.33 66.66 2h3k n THR 125 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2h3k s ASN 126 N 10.12 5.10 -1.27 8.00 3.84 -1.26 0.77 114.94 140.24 2h3k s ASN 126 Ca 1.07 -1.90 -0.14 0.00 0.21 0.00 0.00 52.86 52.10 2h3k s ASN 126 Cb -0.50 -1.77 0.14 0.00 -0.55 0.00 0.00 41.25 38.56 2h3k s ASN 126 CO 0.36 -0.46 1.69 -1.22 -2.79 0.00 0.00 177.10 174.68 2h3k n TYR 127 N 4.54 4.26 0.16 0.43 4.01 0.48 -4.77 117.16 126.27 2h3k n TYR 127 Ca -0.03 -3.07 0.08 0.00 -0.16 0.00 0.00 57.90 54.72 2h3k n TYR 127 Cb 0.42 -2.26 0.58 0.00 -0.31 0.00 0.00 39.34 37.77 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 6.76 0.13 -2.11 7.72 1.82 -1.86 -2.99 116.42 125.89 2h3k h ASP 128 Ca 0.39 -0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.89 2h3k h ASP 128 Cb 0.79 -0.03 -0.29 0.00 0.68 0.00 0.00 39.33 40.47 2h3k h ASP 128 CO 1.45 0.09 -0.45 -0.47 -1.61 0.00 0.00 179.24 178.26 2h3k s TYR 129 N -5.19 -0.80 -0.28 0.28 5.04 -1.26 -4.77 117.35 110.38 2h3k s TYR 129 Ca -0.06 1.03 0.02 0.00 -2.44 0.00 0.00 57.07 55.63 2h3k s TYR 129 Cb 0.17 0.10 0.07 0.00 0.35 0.00 0.00 41.96 42.65 2h3k s TYR 129 CO 0.69 -0.64 -0.04 0.99 -1.34 0.00 0.00 175.55 175.22 2h3k s THR 130 N 2.56 1.94 -0.65 4.34 2.01 -0.92 -4.38 115.64 120.53 2h3k s THR 130 Ca 0.08 -1.68 -0.27 0.00 0.31 0.00 0.00 61.69 60.13 2h3k s THR 130 Cb -0.14 -2.21 0.03 0.00 0.01 0.00 0.00 72.50 70.19 2h3k s THR 130 CO -0.15 -0.23 1.21 -0.75 -0.69 0.00 0.00 174.62 174.02 2h3k s LYS 131 N 1.17 3.35 -0.45 4.92 2.20 -0.90 -0.67 119.74 129.35 2h3k s LYS 131 Ca -0.02 -0.03 -0.12 0.00 -0.36 0.00 0.00 55.97 55.43 2h3k s LYS 131 Cb -0.19 -4.10 0.08 0.00 -1.51 0.00 0.00 37.83 32.11 2h3k s LYS 131 CO -0.07 -1.89 0.34 -1.17 -0.36 0.00 0.00 175.35 172.20 2h3k s LEU 132 N 5.22 5.45 -0.15 5.43 0.20 -0.88 -2.55 118.68 131.41 2h3k s LEU 132 Ca 0.38 -1.46 -0.15 0.00 0.69 0.00 0.00 54.13 53.59 2h3k s LEU 132 Cb -0.08 -2.09 -0.05 0.00 -0.43 0.00 0.00 46.19 43.54 2h3k s LEU 132 CO 0.20 -0.61 0.34 0.68 -0.29 0.00 0.00 176.35 176.67 2h3k s VAL 133 N 1.53 5.27 0.85 1.68 -7.23 -1.02 -2.58 120.40 118.90 2h3k s VAL 133 Ca 0.04 0.66 -0.12 0.00 -1.81 0.00 0.00 61.98 60.75 2h3k s VAL 133 Cb -0.24 -3.68 0.10 0.00 0.56 0.00 0.00 36.38 33.12 2h3k s VAL 133 CO 0.04 0.37 1.11 -0.36 -0.31 0.00 0.00 175.10 175.95 2h3k s PHE 134 N 0.49 2.66 0.03 2.82 0.08 0.42 0.00 117.98 124.48 2h3k s PHE 134 Ca 0.19 1.08 0.14 0.00 0.12 0.00 0.00 56.93 58.46 2h3k s PHE 134 Cb -0.14 -3.20 0.19 0.00 -0.57 0.00 0.00 43.02 39.31 2h3k s PHE 134 CO 0.06 -2.04 1.50 0.00 -0.10 0.00 0.00 175.22 174.64 2h3k h ALA 135 N -1.28 0.71 -2.63 5.36 0.00 0.52 -3.44 119.26 118.51 2h3k h ALA 135 Ca -0.48 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 53.81 2h3k h ALA 135 Cb 1.29 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.86 2h3k h ALA 135 CO 0.59 0.74 -0.28 -1.59 0.00 0.00 0.00 179.25 178.71 2h3k s LYS 136 N -3.13 1.06 0.14 0.00 -2.85 -1.26 -5.03 119.74 108.67 2h3k s LYS 136 Ca 0.02 -1.02 -0.31 0.00 -1.00 0.00 0.00 55.97 53.66 2h3k s LYS 136 Cb 0.09 0.39 -0.08 0.00 -2.06 0.00 0.00 37.83 36.17 2h3k s LYS 136 CO 0.75 -0.39 1.33 -1.25 0.10 0.00 0.00 175.35 175.90 2h3k s PRO 137 N -3.91 4.36 -1.15 1.78 0.04 -1.26 -4.72 135.00 130.14 2h3k s PRO 137 Ca 0.11 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 63.01 2h3k s PRO 137 Cb 0.03 -3.24 0.12 0.00 0.04 0.00 0.00 34.50 31.46 2h3k s PRO 137 CO -0.05 -0.34 1.45 0.42 0.04 0.00 0.00 177.00 178.52 2h3k s ILE 138 N 0.69 4.59 -0.29 0.56 -1.09 -1.08 -4.92 121.20 119.66 2h3k s ILE 138 Ca 0.61 -1.98 -0.18 0.00 -2.23 0.00 0.00 60.65 56.86 2h3k s ILE 138 Cb -0.36 -4.98 -0.02 0.00 -1.58 0.00 0.00 42.46 35.53 2h3k s ILE 138 CO 0.33 -1.75 0.53 -0.31 -1.23 0.00 0.00 174.94 172.52 2h3k s TYR 139 N 2.94 3.23 0.72 3.97 2.02 -1.26 -3.58 117.35 125.39 2h3k s TYR 139 Ca 0.44 0.49 -0.12 0.00 -0.37 0.00 0.00 57.07 57.51 2h3k s TYR 139 Cb -0.01 -2.83 0.18 0.00 -0.40 0.00 0.00 41.96 38.91 2h3k s TYR 139 CO -0.01 -0.39 0.42 0.27 -1.57 0.00 0.00 175.55 174.26 2h3k n ASN 140 N 5.66 -3.03 -3.87 2.29 6.94 -1.26 -4.96 115.26 117.02 2h3k n ASN 140 Ca -0.04 -0.42 -0.28 0.00 -0.02 0.00 0.00 54.58 53.82 2h3k n ASN 140 Cb 0.49 -0.49 -0.12 0.00 -2.36 0.00 0.00 39.78 37.31 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 -2.49 4.55 0.00 0.53 1.11 -1.26 -4.89 116.67 114.22 2h3k s ASP 141 Ca 0.32 -3.70 0.20 0.00 0.18 0.00 0.00 52.55 49.56 2h3k s ASP 141 Cb -0.06 -1.56 1.07 0.00 1.07 0.00 0.00 42.92 43.44 2h3k s ASP 141 CO 0.27 -0.11 1.64 -0.81 1.18 0.00 0.00 175.17 177.34 2h3k n PRO 142 N 2.17 0.35 -1.02 8.23 -0.04 -1.26 -3.04 135.00 140.39 2h3k n PRO 142 Ca 0.18 0.08 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 2h3k n PRO 142 Cb 0.35 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.24 1.06 0.00 3.54 2.88 -1.26 -5.22 113.62 113.38 2h3k n SER 143 Ca 0.11 -2.47 0.00 0.00 -1.33 0.00 0.00 58.87 55.17 2h3k n SER 143 Cb 0.15 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70