#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 -0.40 0.00 0.00 -4.77 -1.26 -5.10 116.67 105.14 2h3k s ASP 2 Ca 0.00 0.03 0.00 0.00 -3.30 0.00 0.00 52.55 49.28 2h3k s ASP 2 Cb 0.00 0.41 0.00 0.00 -1.09 0.00 0.00 42.92 42.24 2h3k s ASP 2 CO 0.00 -0.66 0.00 1.21 0.70 0.00 0.00 175.17 176.42 2h3k n GLU 3 N -0.21 3.93 -4.65 2.11 2.13 -1.26 -5.13 120.64 117.56 2h3k n GLU 3 Ca -0.10 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.47 2h3k n GLU 3 Cb 0.62 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 32.17 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 -0.53 1.84 0.58 4.31 0.01 -1.26 -4.75 113.70 113.90 2h3k s SER 4 Ca 0.00 -0.30 0.30 0.00 1.31 0.00 0.00 55.95 57.26 2h3k s SER 4 Cb 0.00 -0.68 1.41 0.00 0.21 0.00 0.00 66.02 66.96 2h3k s SER 4 CO 0.00 0.08 1.79 0.25 0.41 0.00 0.00 173.24 175.77 2h3k h LEU 5 N 6.62 0.00 0.00 2.44 5.85 -1.44 0.37 115.31 129.16 2h3k h LEU 5 Ca -0.32 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.14 2h3k h LEU 5 Cb 1.18 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.22 2h3k h LEU 5 CO 0.48 0.00 -1.12 0.50 -0.34 0.00 0.00 178.44 177.95 2h3k h LYS 6 N 0.00 0.46 0.00 1.25 3.64 -1.67 -2.69 116.57 117.57 2h3k h LYS 6 Ca 0.32 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2h3k h LYS 6 Cb 1.65 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.66 2h3k h LYS 6 CO -0.00 1.23 -0.28 -0.44 -2.27 0.00 0.00 179.45 177.69 2h3k h ASP 7 N 0.21 0.00 0.23 4.20 5.19 -0.70 -3.33 116.42 122.22 2h3k h ASP 7 Ca -0.13 -0.08 -0.35 0.00 -0.62 0.00 0.00 57.03 55.85 2h3k h ASP 7 Cb 1.79 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.30 2h3k h ASP 7 CO 0.20 0.04 -1.82 0.00 -3.12 0.00 0.00 179.24 174.54 2h3k h ALA 8 N 2.46 0.34 -0.02 3.45 0.00 -0.92 -3.32 119.26 121.25 2h3k h ALA 8 Ca 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 54.91 53.65 2h3k h ALA 8 Cb 0.77 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2h3k h ALA 8 CO 0.00 1.21 0.09 -0.84 0.00 0.00 0.00 179.25 179.71 2h3k h ILE 9 N 0.08 0.10 -1.33 0.00 3.07 -1.58 -3.29 117.51 114.56 2h3k h ILE 9 Ca -0.36 0.00 -0.72 0.00 1.55 0.00 0.00 64.86 65.33 2h3k h ILE 9 Cb 2.06 0.91 -0.13 0.00 -0.27 0.00 0.00 36.82 39.39 2h3k h ILE 9 CO 0.13 0.00 1.99 0.29 -1.05 0.00 0.00 178.15 179.51 2h3k n LYS 10 N -3.20 3.30 -3.81 0.16 4.76 -1.25 -4.78 118.16 113.35 2h3k n LYS 10 Ca -0.02 -3.45 -0.12 0.00 -2.87 0.00 0.00 58.31 51.85 2h3k n LYS 10 Cb 0.16 -3.18 -0.10 0.00 -1.84 0.00 0.00 35.03 30.07 2h3k n LYS 10 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2h3k s ASP 11 N 2.84 -0.16 0.21 4.39 1.11 -1.24 -5.04 116.67 118.78 2h3k s ASP 11 Ca 0.46 0.20 0.07 0.00 0.18 0.00 0.00 52.55 53.46 2h3k s ASP 11 Cb 0.04 0.37 0.14 0.00 1.07 0.00 0.00 42.92 44.54 2h3k s ASP 11 CO 0.01 -0.25 1.48 1.55 1.18 0.00 0.00 175.17 179.14 2h3k h PRO 12 N 4.92 0.06 -0.02 8.23 0.13 -1.93 -1.23 132.00 142.15 2h3k h PRO 12 Ca -0.28 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 64.66 2h3k h PRO 12 Cb 1.19 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2h3k h PRO 12 CO 0.38 0.79 -0.61 0.00 -0.23 0.00 0.00 178.00 178.33 2h3k h ALA 13 N 1.19 0.94 0.00 -0.56 0.00 -1.98 -3.17 119.26 115.68 2h3k h ALA 13 Ca -0.01 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 54.19 2h3k h ALA 13 Cb 1.34 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2h3k h ALA 13 CO 0.10 0.75 -1.42 1.28 0.00 0.00 0.00 179.25 179.97 2h3k n LEU 14 N -3.83 0.80 -4.58 0.00 4.77 -1.20 -4.64 117.00 108.32 2h3k n LEU 14 Ca -0.02 0.35 -0.45 0.00 -0.03 0.00 0.00 56.01 55.86 2h3k n LEU 14 Cb 0.61 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.73 2h3k n LEU 14 CO 0.43 0.11 1.80 1.21 -1.33 0.00 0.00 177.39 179.61 2h3k n GLU 15 N -2.83 1.87 -3.19 3.23 2.13 -0.47 -2.12 120.64 119.26 2h3k n GLU 15 Ca -0.09 0.55 -0.09 0.00 0.66 0.00 0.00 57.16 58.19 2h3k n GLU 15 Cb 0.80 -3.02 0.00 0.00 0.27 0.00 0.00 31.44 29.50 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 10.62 -7.13 -4.77 4.31 2.85 -1.23 -4.97 115.26 114.95 2h3k n ASN 16 Ca 0.31 -0.13 -0.23 0.00 -0.11 0.00 0.00 54.58 54.42 2h3k n ASN 16 Cb 0.39 -4.41 -0.06 0.00 1.24 0.00 0.00 39.78 36.94 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 -3.26 2.41 -0.77 1.20 2.20 -1.18 -5.07 119.74 115.27 2h3k s LYS 17 Ca 0.07 -1.58 -0.08 0.00 -0.36 0.00 0.00 55.97 54.03 2h3k s LYS 17 Cb -0.02 -2.20 0.20 0.00 -1.51 0.00 0.00 37.83 34.30 2h3k s LYS 17 CO 0.79 0.02 0.66 -2.00 -0.36 0.00 0.00 175.35 174.45 2h3k s GLU 18 N -3.92 3.19 -0.42 4.03 2.12 -1.26 -4.92 118.70 117.52 2h3k s GLU 18 Ca 0.40 -2.62 -0.03 0.00 0.36 0.00 0.00 54.97 53.09 2h3k s GLU 18 Cb -0.02 -4.11 0.10 0.00 0.26 0.00 0.00 34.13 30.36 2h3k s GLU 18 CO 0.24 -1.24 2.59 -2.39 -0.54 0.00 0.00 175.26 173.92 2h3k n HIS 19 N 3.54 1.59 -2.20 5.30 1.44 -1.26 -4.36 115.22 119.26 2h3k n HIS 19 Ca 0.13 -1.96 -0.14 0.00 -2.01 0.00 0.00 57.72 53.73 2h3k n HIS 19 Cb 0.42 -1.28 0.05 0.00 0.12 0.00 0.00 29.99 29.29 2h3k n HIS 19 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2h3k n ASP 20 N 0.73 3.62 -4.24 4.39 9.92 -1.26 -4.99 116.55 124.72 2h3k n ASP 20 Ca 0.44 -3.26 -0.41 0.00 -0.53 0.00 0.00 54.79 51.04 2h3k n ASP 20 Cb 0.57 -0.39 -0.09 0.00 -0.64 0.00 0.00 41.12 40.56 2h3k n ASP 20 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2h3k s ILE 21 N -4.08 4.21 -1.56 0.53 -1.09 -1.26 -4.98 121.20 112.96 2h3k s ILE 21 Ca 0.43 -1.61 0.00 0.00 -2.23 0.00 0.00 60.65 57.24 2h3k s ILE 21 Cb 0.38 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 2h3k s ILE 21 CO 0.00 -0.65 0.00 0.61 -1.23 0.00 0.00 174.94 173.67 2h3k n GLY 22 N 4.91 0.52 1.14 6.18 0.00 -1.26 -5.08 105.19 111.60 2h3k n GLY 22 Ca -0.09 -2.19 -0.09 0.00 0.00 0.00 0.00 46.02 43.65 2h3k n GLY 22 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2h3k n PRO 23 N -0.19 -1.27 0.00 1.61 -0.04 -1.26 -5.10 135.00 128.75 2h3k n PRO 23 Ca 0.00 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.88 2h3k n PRO 23 Cb 0.00 -0.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 2h3k n PRO 23 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2h3k n ARG 24 N -2.34 0.00 -4.29 0.54 0.00 -1.26 -4.72 116.66 104.59 2h3k n ARG 24 Ca 0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.74 2h3k n ARG 24 Cb 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.54 2h3k n ARG 24 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2h3k s GLU 25 N -1.30 1.23 -0.27 -0.14 0.41 -0.12 -4.95 118.70 113.56 2h3k s GLU 25 Ca 0.00 -1.60 -0.07 0.00 -0.41 0.00 0.00 54.97 52.89 2h3k s GLU 25 Cb 0.00 -0.53 -0.01 0.00 -1.78 0.00 0.00 34.13 31.81 2h3k s GLU 25 CO 0.00 -0.08 0.07 -0.65 -0.49 0.00 0.00 175.26 174.11 2h3k s GLN 26 N -3.86 3.36 -0.03 1.61 -1.52 -1.26 -2.15 119.66 115.81 2h3k s GLN 26 Ca 0.25 -0.67 0.04 0.00 -1.95 0.00 0.00 55.36 53.03 2h3k s GLN 26 Cb 0.05 -3.33 -0.00 0.00 -0.22 0.00 0.00 33.01 29.51 2h3k s GLN 26 CO 0.06 -0.32 -0.14 0.08 -0.25 0.00 0.00 175.29 174.73 2h3k s VAL 27 N 1.55 1.17 0.58 1.09 1.01 0.10 -4.97 120.40 120.94 2h3k s VAL 27 Ca 0.05 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 2h3k s VAL 27 Cb -0.16 -1.01 0.04 0.00 0.00 0.00 0.00 36.38 35.25 2h3k s VAL 27 CO 0.03 0.34 0.83 0.21 0.00 0.00 0.00 175.10 176.51 2h3k s ASN 28 N 0.07 5.22 -0.01 3.32 2.47 -1.26 0.16 114.94 124.91 2h3k s ASN 28 Ca -0.03 0.17 0.02 0.00 0.42 0.00 0.00 52.86 53.44 2h3k s ASN 28 Cb -0.10 -1.03 -0.00 0.00 -1.45 0.00 0.00 41.25 38.67 2h3k s ASN 28 CO 0.01 -1.22 -0.06 0.72 -3.72 0.00 0.00 177.10 172.83 2h3k s PHE 29 N -2.88 0.59 -0.36 0.43 -0.12 -1.26 -0.48 117.98 113.90 2h3k s PHE 29 Ca 0.57 -0.12 -0.13 0.00 -0.05 0.00 0.00 56.93 57.21 2h3k s PHE 29 Cb -0.10 -0.40 -0.00 0.00 -0.63 0.00 0.00 43.02 41.88 2h3k s PHE 29 CO 0.40 -0.03 0.24 -0.65 -0.05 0.00 0.00 175.22 175.14 2h3k s GLN 30 N -0.03 3.31 -0.26 1.99 1.11 0.55 -4.93 119.66 121.41 2h3k s GLN 30 Ca 0.01 -0.77 -0.26 0.00 0.01 0.00 0.00 55.36 54.35 2h3k s GLN 30 Cb -0.04 -3.82 0.00 0.00 -1.01 0.00 0.00 33.01 28.14 2h3k s GLN 30 CO -0.00 -0.53 0.89 -0.51 0.01 0.00 0.00 175.29 175.15 2h3k s LEU 31 N 1.69 4.07 -0.11 2.90 1.43 -1.26 -1.49 118.68 125.91 2h3k s LEU 31 Ca 0.05 1.05 -0.03 0.00 -1.03 0.00 0.00 54.13 54.18 2h3k s LEU 31 Cb -0.18 -3.28 0.04 0.00 0.03 0.00 0.00 46.19 42.81 2h3k s LEU 31 CO 0.10 -0.60 0.04 -0.76 0.23 0.00 0.00 176.35 175.36 2h3k s LEU 32 N 3.01 0.59 0.00 1.79 1.43 -0.83 -3.69 118.68 120.98 2h3k s LEU 32 Ca 0.37 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 2h3k s LEU 32 Cb -0.15 -0.38 0.00 0.00 0.03 0.00 0.00 46.19 45.69 2h3k s LEU 32 CO 0.08 -0.26 0.00 0.47 0.23 0.00 0.00 176.35 176.87 2h3k n ASP 33 N 5.18 0.00 -1.94 2.29 9.92 -1.25 -2.49 116.55 128.25 2h3k n ASP 33 Ca -0.07 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.02 2h3k n ASP 33 Cb 0.49 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 41.00 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 1.86 -0.76 -1.24 4.81 -1.26 -3.85 118.16 117.72 2h3k n LYS 34 Ca 0.00 -1.65 -0.04 0.00 -0.87 0.00 0.00 58.31 55.76 2h3k n LYS 34 Cb 0.00 -1.66 -0.04 0.00 0.02 0.00 0.00 35.03 33.35 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 0.37 -0.51 -2.24 3.14 3.02 -1.26 -4.97 115.26 112.80 2h3k n ASN 35 Ca 0.32 -1.51 -0.10 0.00 -0.03 0.00 0.00 54.58 53.26 2h3k n ASN 35 Cb 0.58 0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.89 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 0.00 -3.27 -4.62 6.41 2.85 -1.25 -4.87 115.26 110.50 2h3k n ASN 36 Ca -0.14 0.25 -0.42 0.00 -0.11 0.00 0.00 54.58 54.16 2h3k n ASN 36 Cb 0.60 -2.86 -0.05 0.00 1.24 0.00 0.00 39.78 38.71 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 -4.63 4.02 -0.03 1.20 0.41 -1.26 -4.94 118.70 113.46 2h3k s GLU 37 Ca 0.00 0.70 -0.18 0.00 -0.41 0.00 0.00 54.97 55.08 2h3k s GLU 37 Cb 0.00 -3.71 -0.05 0.00 -1.78 0.00 0.00 34.13 28.59 2h3k s GLU 37 CO 0.00 -0.66 0.51 0.99 -0.49 0.00 0.00 175.26 175.61 2h3k s THR 38 N 2.98 5.02 -0.70 3.63 2.01 -1.26 -3.91 115.64 123.41 2h3k s THR 38 Ca 0.34 1.04 -0.11 0.00 0.31 0.00 0.00 61.69 63.27 2h3k s THR 38 Cb -0.14 -3.84 0.18 0.00 0.01 0.00 0.00 72.50 68.71 2h3k s THR 38 CO 0.12 0.44 0.61 -1.58 -0.69 0.00 0.00 174.62 173.51 2h3k s GLN 39 N -0.22 3.15 -0.02 4.92 2.00 -1.24 -4.78 119.66 123.47 2h3k s GLN 39 Ca 0.27 -2.30 0.04 0.00 -2.00 0.00 0.00 55.36 51.37 2h3k s GLN 39 Cb -0.17 -4.19 -0.06 0.00 0.80 0.00 0.00 33.01 29.40 2h3k s GLN 39 CO 0.14 -1.26 0.06 2.48 -0.50 0.00 0.00 175.29 176.21 2h3k n TYR 40 N 4.13 0.00 0.05 1.67 4.11 -1.26 -4.70 117.16 121.15 2h3k n TYR 40 Ca 0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.74 2h3k n TYR 40 Cb 0.43 -0.13 -0.15 0.00 -0.00 0.00 0.00 39.34 39.50 2h3k n TYR 40 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 2h3k h TYR 41 N 0.00 0.64 -3.53 -3.48 3.20 -2.05 -3.46 116.97 108.28 2h3k h TYR 41 Ca -0.04 -0.46 -0.46 0.00 3.14 0.00 0.00 58.73 60.90 2h3k h TYR 41 Cb 0.61 -0.03 -0.33 0.00 1.54 0.00 0.00 36.73 38.53 2h3k h TYR 41 CO 0.00 1.73 -0.79 -1.58 -1.64 0.00 0.00 178.16 175.87 2h3k s HIS 42 N -2.57 1.11 0.37 -3.82 2.46 -1.26 -5.14 115.29 106.43 2h3k s HIS 42 Ca -0.18 -0.36 0.04 0.00 0.47 0.00 0.00 55.06 55.03 2h3k s HIS 42 Cb 0.06 -0.85 -0.03 0.00 -0.13 0.00 0.00 32.58 31.63 2h3k s HIS 42 CO 0.82 -0.20 0.15 -0.59 -2.47 0.00 0.00 174.74 172.45 2h3k s PHE 43 N 0.62 1.75 0.00 3.88 -0.71 -1.26 -4.83 117.98 117.43 2h3k s PHE 43 Ca -0.11 -1.32 0.00 0.00 -1.04 0.00 0.00 56.93 54.46 2h3k s PHE 43 Cb -0.14 -1.04 0.00 0.00 -1.21 0.00 0.00 43.02 40.63 2h3k s PHE 43 CO 0.02 -0.39 0.00 1.19 -1.34 0.00 0.00 175.22 174.70 2h3k n PHE 44 N -0.78 0.00 0.00 3.49 3.72 -1.26 -5.08 117.46 117.55 2h3k n PHE 44 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2h3k n PHE 44 Cb 0.65 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 2h3k n PHE 44 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2h3k n SER 45 N -1.70 0.00 -1.26 4.37 7.64 -1.26 -4.95 113.62 116.46 2h3k n SER 45 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 2h3k n SER 45 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2h3k n SER 45 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2h3k n ILE 46 N 0.00 0.00 0.10 0.44 -0.00 -1.21 -4.88 119.36 113.80 2h3k n ILE 46 Ca 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 62.75 63.07 2h3k n ILE 46 Cb 0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 39.64 38.93 2h3k n ILE 46 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 2h3k n LYS 47 N -3.80 0.00 -3.23 0.38 4.81 -1.26 -4.76 118.16 110.30 2h3k n LYS 47 Ca -0.02 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.21 2h3k n LYS 47 Cb 0.65 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.73 2h3k n LYS 47 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2h3k s ASP 48 N -2.41 5.13 0.69 3.14 1.11 -1.26 -5.09 116.67 117.98 2h3k s ASP 48 Ca 0.00 -0.81 -0.13 0.00 0.18 0.00 0.00 52.55 51.78 2h3k s ASP 48 Cb 0.00 0.02 0.01 0.00 1.07 0.00 0.00 42.92 44.02 2h3k s ASP 48 CO 0.00 -1.10 1.09 -2.16 1.18 0.00 0.00 175.17 174.18 2h3k s PRO 49 N -4.48 2.71 0.70 8.23 0.04 -1.26 -4.75 135.00 136.20 2h3k s PRO 49 Ca 0.54 1.24 -0.17 0.00 0.04 0.00 0.00 61.00 62.65 2h3k s PRO 49 Cb -0.06 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.55 2h3k s PRO 49 CO 0.33 -1.30 1.26 0.00 0.04 0.00 0.00 177.00 177.34 2h3k n ALA 50 N -2.81 0.77 -3.99 8.56 0.00 0.42 -4.69 120.51 118.76 2h3k n ALA 50 Ca 0.09 -0.10 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 2h3k n ALA 50 Cb 0.53 -2.30 -0.15 0.00 0.00 0.00 0.00 19.45 17.52 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 -1.60 3.54 -0.16 0.00 1.11 -0.12 0.02 116.67 119.47 2h3k s ASP 51 Ca 0.80 -0.72 -0.17 0.00 0.18 0.00 0.00 52.55 52.64 2h3k s ASP 51 Cb -0.35 -1.54 -0.04 0.00 1.07 0.00 0.00 42.92 42.06 2h3k s ASP 51 CO 0.44 -0.04 0.45 -0.69 1.18 0.00 0.00 175.17 176.50 2h3k s VAL 52 N 1.30 5.19 -0.84 -1.27 1.01 -0.91 -0.21 120.40 124.66 2h3k s VAL 52 Ca 0.03 0.85 -0.06 0.00 0.00 0.00 0.00 61.98 62.80 2h3k s VAL 52 Cb -0.14 -3.78 0.21 0.00 0.00 0.00 0.00 36.38 32.67 2h3k s VAL 52 CO -0.10 0.29 0.73 -0.31 0.00 0.00 0.00 175.10 175.71 2h3k s TYR 53 N 0.97 3.78 -0.22 5.22 2.02 0.13 -0.94 117.35 128.31 2h3k s TYR 53 Ca 0.23 -2.62 -0.29 0.00 -0.37 0.00 0.00 57.07 54.02 2h3k s TYR 53 Cb -0.15 -3.48 -0.04 0.00 -0.40 0.00 0.00 41.96 37.90 2h3k s TYR 53 CO 0.09 -0.87 1.90 0.71 -1.57 0.00 0.00 175.55 175.81 2h3k s TYR 54 N -0.59 1.63 0.42 2.71 2.02 -1.26 -2.14 117.35 120.14 2h3k s TYR 54 Ca 0.23 0.43 0.07 0.00 -0.37 0.00 0.00 57.07 57.42 2h3k s TYR 54 Cb -0.12 -4.04 -0.05 0.00 -0.40 0.00 0.00 41.96 37.34 2h3k s TYR 54 CO -0.08 -3.64 0.13 0.95 -1.57 0.00 0.00 175.55 171.34 2h3k s THR 55 N 6.51 2.12 0.66 -0.71 -4.23 -1.24 -4.65 115.64 114.10 2h3k s THR 55 Ca 0.85 -1.79 0.40 0.00 -1.18 0.00 0.00 61.69 59.97 2h3k s THR 55 Cb -0.29 -2.91 0.41 0.00 1.34 0.00 0.00 72.50 71.05 2h3k s THR 55 CO 0.34 0.00 2.26 0.07 -0.54 0.00 0.00 174.62 176.75 2h3k h LYS 56 N 1.49 0.00 0.00 3.99 2.10 -1.93 -3.26 116.57 118.95 2h3k h LYS 56 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2h3k h LYS 56 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2h3k h LYS 56 CO 0.73 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.81 2h3k n LYS 57 N -3.11 0.00 -3.72 0.07 5.02 -1.26 -5.05 118.16 110.10 2h3k n LYS 57 Ca -0.03 0.10 -0.12 0.00 -2.02 0.00 0.00 58.31 56.25 2h3k n LYS 57 Cb 0.15 -0.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.60 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 -0.30 0.86 0.58 1.97 2.47 -1.23 -5.07 119.74 119.02 2h3k s LYS 58 Ca 0.00 -0.49 -0.20 0.00 -1.56 0.00 0.00 55.97 53.73 2h3k s LYS 58 Cb 0.00 0.37 -0.05 0.00 -1.46 0.00 0.00 37.83 36.69 2h3k s LYS 58 CO 0.00 -0.28 1.05 0.00 0.16 0.00 0.00 175.35 176.28 2h3k n ALA 59 N 0.50 0.47 -3.77 3.13 0.00 -1.26 -3.66 120.51 115.92 2h3k n ALA 59 Ca -0.18 0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 2h3k n ALA 59 Cb 0.60 -2.16 -0.14 0.00 0.00 0.00 0.00 19.45 17.74 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 -2.73 1.01 0.32 0.00 2.02 -0.91 -3.11 118.70 115.29 2h3k s GLU 60 Ca 0.74 -1.50 -0.28 0.00 0.02 0.00 0.00 54.97 53.96 2h3k s GLU 60 Cb -0.43 -2.27 -0.09 0.00 0.10 0.00 0.00 34.13 31.43 2h3k s GLU 60 CO 0.48 -1.04 1.07 0.08 0.02 0.00 0.00 175.26 175.88 2h3k s VAL 61 N 1.10 3.59 -0.04 2.63 1.01 -0.32 0.17 120.40 128.54 2h3k s VAL 61 Ca 0.13 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.57 2h3k s VAL 61 Cb -0.20 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.33 2h3k s VAL 61 CO -0.14 0.25 -0.00 -0.70 0.00 0.00 0.00 175.10 174.50 2h3k s GLU 62 N -1.79 0.39 0.32 2.72 2.12 0.71 -0.67 118.70 122.49 2h3k s GLU 62 Ca 0.49 0.07 0.08 0.00 0.36 0.00 0.00 54.97 55.96 2h3k s GLU 62 Cb -0.28 -0.59 -0.03 0.00 0.26 0.00 0.00 34.13 33.49 2h3k s GLU 62 CO 0.36 -0.15 0.24 -0.51 -0.54 0.00 0.00 175.26 174.65 2h3k s LEU 63 N 1.17 3.58 0.30 2.70 1.02 0.31 -0.94 118.68 126.81 2h3k s LEU 63 Ca -0.08 -0.49 0.08 0.00 0.02 0.00 0.00 54.13 53.66 2h3k s LEU 63 Cb -0.13 -2.15 -0.04 0.00 0.02 0.00 0.00 46.19 43.89 2h3k s LEU 63 CO -0.02 -0.27 0.13 -1.81 0.02 0.00 0.00 176.35 174.41 2h3k s ASP 64 N -3.93 4.90 -0.17 2.29 1.01 -1.26 -2.64 116.67 116.87 2h3k s ASP 64 Ca 0.38 -0.59 -0.14 0.00 0.71 0.00 0.00 52.55 52.92 2h3k s ASP 64 Cb -0.06 -0.94 0.05 0.00 1.01 0.00 0.00 42.92 42.99 2h3k s ASP 64 CO 0.25 -0.17 0.45 -0.63 0.21 0.00 0.00 175.17 175.29 2h3k s ILE 65 N -2.32 -0.01 -0.24 0.77 1.09 -0.25 -3.32 121.20 116.91 2h3k s ILE 65 Ca 0.35 0.03 -0.07 0.00 -1.10 0.00 0.00 60.65 59.86 2h3k s ILE 65 Cb -0.05 -0.64 -0.13 0.00 -1.06 0.00 0.00 42.46 40.58 2h3k s ILE 65 CO 0.23 0.01 -0.28 -3.20 -0.10 0.00 0.00 174.94 171.60 2h3k n ASN 66 N 3.30 1.93 -3.29 3.58 5.15 -1.26 0.02 115.26 124.70 2h3k n ASN 66 Ca -0.16 0.13 -0.38 0.00 -0.60 0.00 0.00 54.58 53.57 2h3k n ASN 66 Cb 0.56 -0.59 -0.03 0.00 -0.53 0.00 0.00 39.78 39.20 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 -3.74 4.44 0.33 -0.44 -2.24 -1.26 -3.32 114.28 108.05 2h3k n THR 67 Ca -0.46 -2.86 0.21 0.00 -2.27 0.00 0.00 64.05 58.67 2h3k n THR 67 Cb 0.89 -2.49 1.13 0.00 -2.10 0.00 0.00 70.33 67.76 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 4.84 1.05 0.00 6.98 0.00 -1.82 -0.15 119.26 130.16 2h3k h ALA 68 Ca 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.73 2h3k h ALA 68 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2h3k h ALA 68 CO 1.67 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 179.79 2h3k n SER 69 N -3.16 0.00 -0.00 0.00 3.41 -1.26 -3.33 113.62 109.27 2h3k n SER 69 Ca -0.03 0.45 0.08 0.00 -0.26 0.00 0.00 58.87 59.12 2h3k n SER 69 Cb 0.10 -0.48 -0.12 0.00 -0.26 0.00 0.00 64.21 63.45 2h3k n SER 69 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2h3k n THR 70 N -1.48 0.00 -2.65 6.66 -2.24 -0.08 -4.93 114.28 109.56 2h3k n THR 70 Ca 0.07 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 2h3k n THR 70 Cb 0.32 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 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 -2.95 3.52 -0.00 4.78 0.52 -1.16 -3.01 118.94 120.63 2h3k s TRP 71 Ca -0.01 1.56 -0.00 0.00 0.02 0.00 0.00 56.10 57.67 2h3k s TRP 71 Cb 0.12 -3.21 -0.00 0.00 -1.15 0.00 0.00 33.47 29.23 2h3k s TRP 71 CO 0.70 -0.36 -0.00 1.17 0.02 0.00 0.00 176.95 178.48 2h3k n LYS 72 N 4.56 0.00 -3.65 4.98 3.00 -1.21 -3.21 118.16 122.64 2h3k n LYS 72 Ca 0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.18 2h3k n LYS 72 Cb 0.49 -0.49 -0.03 0.00 0.00 0.00 0.00 35.03 34.99 2h3k n LYS 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2h3k n LYS 73 N -2.51 1.05 -3.65 1.64 5.02 -1.26 -1.35 118.16 117.10 2h3k n LYS 73 Ca -0.00 -2.57 -0.01 0.00 -2.02 0.00 0.00 58.31 53.71 2h3k n LYS 73 Cb 0.00 0.55 -0.06 0.00 -0.02 0.00 0.00 35.03 35.50 2h3k n LYS 73 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2h3k s PHE 74 N -2.18 -0.24 -0.15 2.13 5.36 -1.22 -4.20 117.98 117.48 2h3k s PHE 74 Ca 0.08 0.50 -0.10 0.00 -0.96 0.00 0.00 56.93 56.44 2h3k s PHE 74 Cb -0.01 0.22 0.05 0.00 -0.34 0.00 0.00 43.02 42.94 2h3k s PHE 74 CO 0.05 -0.12 0.37 -1.21 -1.46 0.00 0.00 175.22 172.85 2h3k s GLU 75 N 0.91 0.38 -0.19 10.12 2.02 0.12 -4.90 118.70 127.17 2h3k s GLU 75 Ca -0.05 0.64 0.01 0.00 0.02 0.00 0.00 54.97 55.59 2h3k s GLU 75 Cb -0.03 0.06 0.03 0.00 0.10 0.00 0.00 34.13 34.28 2h3k s GLU 75 CO -0.12 -0.12 -0.18 0.08 0.02 0.00 0.00 175.26 174.95 2h3k s VAL 76 N 0.90 2.01 -0.03 2.63 1.01 -1.25 0.16 120.40 125.83 2h3k s VAL 76 Ca -0.06 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 60.94 2h3k s VAL 76 Cb -0.06 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 2h3k s VAL 76 CO -0.07 0.43 -0.13 -0.72 0.00 0.00 0.00 175.10 174.61 2h3k s TYR 77 N 1.29 1.28 -0.06 5.22 -0.85 -0.03 0.11 117.35 124.31 2h3k s TYR 77 Ca 0.03 -0.32 0.05 0.00 -0.52 0.00 0.00 57.07 56.30 2h3k s TYR 77 Cb -0.14 -0.87 -0.02 0.00 0.38 0.00 0.00 41.96 41.31 2h3k s TYR 77 CO -0.11 -0.10 -0.19 -2.00 -1.52 0.00 0.00 175.55 171.62 2h3k s GLU 78 N 0.01 2.55 0.00 -3.49 2.12 -1.06 -1.12 118.70 117.72 2h3k s GLU 78 Ca -0.01 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.52 2h3k s GLU 78 Cb -0.09 -2.28 0.00 0.00 0.26 0.00 0.00 34.13 32.02 2h3k s GLU 78 CO 0.01 0.49 0.00 -1.71 -0.54 0.00 0.00 175.26 173.51 2h3k n ASN 79 N 2.66 0.00 -1.57 -1.70 5.15 -1.26 -2.33 115.26 116.21 2h3k n ASN 79 Ca -0.17 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.78 2h3k n ASN 79 Cb 0.52 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.79 2h3k n ASN 79 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2h3k n ASN 80 N 1.46 -0.73 -3.59 1.20 4.05 -1.26 -5.11 115.26 111.27 2h3k n ASN 80 Ca 0.00 -1.47 -0.20 0.00 0.45 0.00 0.00 54.58 53.36 2h3k n ASN 80 Cb 0.00 0.30 -0.15 0.00 1.23 0.00 0.00 39.78 41.16 2h3k n ASN 80 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 2h3k s GLN 81 N 0.04 0.09 -0.23 1.20 0.74 -0.99 -5.11 119.66 115.40 2h3k s GLN 81 Ca 0.03 0.27 -0.29 0.00 0.05 0.00 0.00 55.36 55.41 2h3k s GLN 81 Cb 0.15 -1.00 -0.01 0.00 1.10 0.00 0.00 33.01 33.24 2h3k s GLN 81 CO -0.04 -0.52 1.36 0.15 -0.55 0.00 0.00 175.29 175.69 2h3k s LYS 82 N 2.26 4.01 0.10 1.67 -0.14 -1.26 -2.56 119.74 123.82 2h3k s LYS 82 Ca 0.04 1.49 -0.23 0.00 -1.36 0.00 0.00 55.97 55.91 2h3k s LYS 82 Cb -0.14 -3.88 -0.07 0.00 -1.68 0.00 0.00 37.83 32.06 2h3k s LYS 82 CO -0.09 -1.01 0.70 -0.51 -0.76 0.00 0.00 175.35 173.68 2h3k s LEU 83 N 4.23 4.53 -0.26 3.17 1.43 0.29 -4.92 118.68 127.15 2h3k s LEU 83 Ca 0.59 1.45 -0.29 0.00 -1.03 0.00 0.00 54.13 54.86 2h3k s LEU 83 Cb -0.20 -3.13 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 2h3k s LEU 83 CO 0.22 0.19 1.35 -2.16 0.23 0.00 0.00 176.35 176.18 2h3k s PRO 84 N -0.86 3.94 -0.37 1.29 0.04 -1.26 -3.95 135.00 133.83 2h3k s PRO 84 Ca 0.34 1.39 -0.17 0.00 0.04 0.00 0.00 61.00 62.59 2h3k s PRO 84 Cb -0.21 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.44 2h3k s PRO 84 CO 0.23 -1.09 0.45 0.08 0.04 0.00 0.00 177.00 176.71 2h3k s VAL 85 N 4.38 5.08 0.70 -0.36 1.01 -1.26 -4.75 120.40 125.20 2h3k s VAL 85 Ca 0.59 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.59 2h3k s VAL 85 Cb -0.19 -3.95 0.11 0.00 0.00 0.00 0.00 36.38 32.35 2h3k s VAL 85 CO 0.23 -0.25 0.97 0.00 0.00 0.00 0.00 175.10 176.05 2h3k s ARG 86 N 2.22 1.84 -0.07 2.72 3.03 -0.99 -4.83 118.95 122.87 2h3k s ARG 86 Ca 0.15 -0.91 -0.02 0.00 2.03 0.00 0.00 55.73 56.98 2h3k s ARG 86 Cb -0.16 -2.32 -0.03 0.00 -1.03 0.00 0.00 34.95 31.41 2h3k s ARG 86 CO 0.13 -1.33 0.01 -1.17 -1.13 0.00 0.00 175.30 171.81 2h3k s LEU 87 N -5.12 3.61 -0.17 -1.89 0.20 -1.26 -2.02 118.68 112.02 2h3k s LEU 87 Ca 0.64 0.14 -0.14 0.00 0.69 0.00 0.00 54.13 55.46 2h3k s LEU 87 Cb -0.07 -1.86 -0.06 0.00 -0.43 0.00 0.00 46.19 43.77 2h3k s LEU 87 CO 0.44 0.36 -0.24 0.52 -0.29 0.00 0.00 176.35 177.14 2h3k n VAL 88 N 2.01 1.47 -3.64 1.68 0.31 -0.81 -4.96 118.33 114.39 2h3k n VAL 88 Ca -0.18 0.12 -0.12 0.00 -0.01 0.00 0.00 64.34 64.15 2h3k n VAL 88 Cb 0.54 -2.31 -0.05 0.00 -0.91 0.00 0.00 33.84 31.10 2h3k n VAL 88 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2h3k s SER 89 N -6.02 -0.28 -0.11 4.52 0.15 -1.26 -4.82 113.70 105.88 2h3k s SER 89 Ca -0.24 -0.13 -0.05 0.00 0.70 0.00 0.00 55.95 56.23 2h3k s SER 89 Cb 0.04 0.45 0.05 0.00 -1.71 0.00 0.00 66.02 64.86 2h3k s SER 89 CO 0.36 -0.76 0.25 -0.47 1.20 0.00 0.00 173.24 173.81 2h3k s TYR 90 N -3.10 -0.35 0.54 3.44 6.14 -0.90 -1.16 117.35 121.95 2h3k s TYR 90 Ca -0.01 0.83 -0.18 0.00 0.64 0.00 0.00 57.07 58.35 2h3k s TYR 90 Cb 0.00 0.01 -0.06 0.00 0.42 0.00 0.00 41.96 42.34 2h3k s TYR 90 CO -0.07 -0.27 1.04 0.45 0.64 0.00 0.00 175.55 177.34 2h3k s SER 91 N 1.60 6.13 0.92 4.32 0.15 0.16 -3.47 113.70 123.51 2h3k s SER 91 Ca -0.06 1.81 -0.11 0.00 0.70 0.00 0.00 55.95 58.29 2h3k s SER 91 Cb -0.11 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.81 2h3k s SER 91 CO -0.08 -0.93 1.09 -2.16 1.20 0.00 0.00 173.24 172.36 2h3k s PRO 92 N -3.77 1.02 0.15 5.44 0.04 -1.26 -3.70 135.00 132.93 2h3k s PRO 92 Ca 0.64 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 2h3k s PRO 92 Cb -0.15 -1.77 0.15 0.00 0.04 0.00 0.00 34.50 32.77 2h3k s PRO 92 CO 0.30 -2.44 1.02 0.28 0.04 0.00 0.00 177.00 176.20 2h3k n VAL 93 N -4.04 -0.35 -0.10 -0.36 0.31 -1.26 0.12 118.33 112.65 2h3k n VAL 93 Ca 0.07 1.55 0.07 0.00 -0.01 0.00 0.00 64.34 66.02 2h3k n VAL 93 Cb 0.54 -2.04 0.41 0.00 -0.91 0.00 0.00 33.84 31.84 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 0.60 0.04 5.55 0.13 -2.03 -1.88 132.00 134.41 2h3k h PRO 94 Ca 0.22 -0.04 -0.29 0.00 -0.87 0.00 0.00 66.00 65.02 2h3k h PRO 94 Cb 0.39 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.35 2h3k h PRO 94 CO -0.65 0.40 -1.62 0.93 -0.23 0.00 0.00 178.00 176.83 2h3k h GLU 95 N 0.62 0.08 -6.10 0.86 3.07 0.61 -3.49 114.58 110.23 2h3k h GLU 95 Ca 0.25 -0.14 -0.07 0.00 -0.50 0.00 0.00 59.36 58.91 2h3k h GLU 95 Cb 0.22 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2h3k h GLU 95 CO -0.07 0.78 -1.01 -3.47 -1.40 0.00 0.00 179.01 173.83 2h3k n ASP 96 N -3.22 -6.76 -3.32 1.42 -0.08 0.34 -4.92 116.55 100.00 2h3k n ASP 96 Ca -0.17 0.52 0.02 0.00 -1.51 0.00 0.00 54.79 53.66 2h3k n ASP 96 Cb 1.03 -2.55 -0.02 0.00 2.34 0.00 0.00 41.12 41.93 2h3k n ASP 96 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2h3k s HIS 97 N -1.29 -1.22 0.05 -0.67 3.76 -1.21 -4.44 115.29 110.27 2h3k s HIS 97 Ca 0.08 1.62 0.05 0.00 -0.15 0.00 0.00 55.06 56.66 2h3k s HIS 97 Cb -0.01 0.55 -0.04 0.00 1.11 0.00 0.00 32.58 34.19 2h3k s HIS 97 CO 0.35 -0.64 -0.08 0.00 -0.85 0.00 0.00 174.74 173.51 2h3k s ALA 98 N 2.82 3.00 0.00 -1.40 0.00 0.10 0.36 121.76 126.64 2h3k s ALA 98 Ca 0.07 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 50.98 2h3k s ALA 98 Cb -0.12 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 2h3k s ALA 98 CO -0.18 0.63 -0.21 0.71 0.00 0.00 0.00 175.76 176.70 2h3k s TYR 99 N -1.10 1.91 0.05 0.00 2.02 -0.31 -1.09 117.35 118.83 2h3k s TYR 99 Ca 0.19 -0.37 -0.02 0.00 -0.37 0.00 0.00 57.07 56.51 2h3k s TYR 99 Cb -0.11 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.21 2h3k s TYR 99 CO 0.11 0.01 -0.01 0.96 -1.57 0.00 0.00 175.55 175.05 2h3k s ILE 100 N -0.60 0.21 0.16 2.71 -5.25 -1.08 -1.93 121.20 115.42 2h3k s ILE 100 Ca 0.08 -1.75 -0.22 0.00 -0.99 0.00 0.00 60.65 57.77 2h3k s ILE 100 Cb -0.08 -1.50 0.07 0.00 2.95 0.00 0.00 42.46 43.89 2h3k s ILE 100 CO 0.00 -0.97 0.58 0.00 -1.79 0.00 0.00 174.94 172.77 2h3k s ARG 101 N -3.91 1.27 0.09 0.37 1.70 -0.86 -0.53 118.95 117.07 2h3k s ARG 101 Ca 0.07 -0.50 -0.13 0.00 -0.47 0.00 0.00 55.73 54.70 2h3k s ARG 101 Cb 0.08 0.58 0.02 0.00 -0.57 0.00 0.00 34.95 35.06 2h3k s ARG 101 CO -0.10 -0.55 0.31 -0.59 -1.08 0.00 0.00 175.30 173.29 2h3k s PHE 102 N -3.76 -0.07 0.65 5.89 -0.71 0.15 -2.34 117.98 117.80 2h3k s PHE 102 Ca 0.01 -0.23 -0.14 0.00 -1.04 0.00 0.00 56.93 55.54 2h3k s PHE 102 Cb -0.01 0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.90 2h3k s PHE 102 CO -0.13 -0.59 1.07 -1.25 -1.34 0.00 0.00 175.22 172.98 2h3k s PRO 103 N -3.42 3.01 -0.33 1.99 0.04 -1.26 -1.17 135.00 133.87 2h3k s PRO 103 Ca 0.01 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.23 2h3k s PRO 103 Cb 0.02 -1.99 0.15 0.00 0.04 0.00 0.00 34.50 32.72 2h3k s PRO 103 CO -0.09 -1.05 0.35 0.14 0.04 0.00 0.00 177.00 176.38 2h3k s VAL 104 N -2.63 -0.39 0.51 -0.36 -7.23 -1.18 -4.87 120.40 104.24 2h3k s VAL 104 Ca 0.62 -0.71 0.02 0.00 -1.81 0.00 0.00 61.98 60.10 2h3k s VAL 104 Cb -0.16 -0.84 0.02 0.00 0.56 0.00 0.00 36.38 35.96 2h3k s VAL 104 CO 0.44 -0.51 0.73 -0.55 -0.31 0.00 0.00 175.10 174.91 2h3k s SER 105 N 1.93 5.46 -1.48 4.85 0.15 -1.26 -4.34 113.70 119.01 2h3k s SER 105 Ca 0.13 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2h3k s SER 105 Cb -0.14 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 2h3k s SER 105 CO -0.19 -0.99 0.00 -0.67 1.20 0.00 0.00 173.24 172.60 2h3k n ASP 106 N -2.23 -4.81 -2.07 5.45 -0.08 -1.26 -2.03 116.55 109.52 2h3k n ASP 106 Ca 0.06 0.13 -0.19 0.00 -1.51 0.00 0.00 54.79 53.29 2h3k n ASP 106 Cb 0.59 -3.85 -0.02 0.00 2.34 0.00 0.00 41.12 40.18 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 -1.02 -0.12 3.53 0.27 0.00 -1.15 -4.83 105.19 101.87 2h3k n GLY 107 Ca -0.18 -0.09 -0.62 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.81 0.00 -0.43 2.61 -1.04 -0.86 -3.22 114.28 107.53 2h3k n THR 108 Ca -0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 2h3k n THR 108 Cb 0.66 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 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 2.73 -0.27 -3.68 -2.82 7.27 -1.26 -3.19 117.38 116.16 2h3k n GLN 109 Ca 0.25 -0.39 -0.16 0.00 0.07 0.00 0.00 57.00 56.77 2h3k n GLN 109 Cb 0.01 -0.79 -0.15 0.00 2.41 0.00 0.00 30.24 31.72 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 -0.08 0.06 0.03 3.69 2.02 -1.26 0.98 118.70 124.14 2h3k s GLU 110 Ca 0.00 0.58 0.01 0.00 0.02 0.00 0.00 54.97 55.58 2h3k s GLU 110 Cb 0.00 -0.22 -0.02 0.00 0.10 0.00 0.00 34.13 33.99 2h3k s GLU 110 CO 0.00 -0.29 -0.05 -0.48 0.02 0.00 0.00 175.26 174.47 2h3k s LEU 111 N 2.18 2.23 -0.23 1.80 2.34 -1.11 -4.76 118.68 121.12 2h3k s LEU 111 Ca 0.01 -0.49 -0.12 0.00 0.06 0.00 0.00 54.13 53.59 2h3k s LEU 111 Cb -0.12 -0.01 -0.05 0.00 -0.56 0.00 0.00 46.19 45.45 2h3k s LEU 111 CO -0.06 -0.24 0.24 -0.54 -1.06 0.00 0.00 176.35 174.69 2h3k s LYS 112 N -1.40 4.09 -0.00 1.48 3.01 -0.27 -0.74 119.74 125.90 2h3k s LYS 112 Ca -0.13 -0.13 -0.07 0.00 -1.01 0.00 0.00 55.97 54.64 2h3k s LYS 112 Cb -0.09 -3.56 -0.05 0.00 -1.01 0.00 0.00 37.83 33.12 2h3k s LYS 112 CO -0.00 -0.01 0.26 0.42 0.51 0.00 0.00 175.35 176.53 2h3k s ILE 113 N 1.24 5.31 -0.12 2.17 1.01 0.18 -0.85 121.20 130.14 2h3k s ILE 113 Ca 0.11 0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.96 2h3k s ILE 113 Cb -0.14 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.80 2h3k s ILE 113 CO 0.06 0.40 -0.08 -0.69 0.00 0.00 0.00 174.94 174.63 2h3k s VAL 114 N -1.26 1.11 0.26 2.92 1.01 0.43 -2.43 120.40 122.42 2h3k s VAL 114 Ca 0.26 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 2h3k s VAL 114 Cb -0.13 -1.12 0.06 0.00 0.00 0.00 0.00 36.38 35.19 2h3k s VAL 114 CO 0.15 0.36 0.93 -0.55 0.00 0.00 0.00 175.10 175.98 2h3k s SER 115 N 1.67 -0.03 -0.29 3.32 0.15 -1.26 0.15 113.70 117.42 2h3k s SER 115 Ca 0.05 -0.80 -0.07 0.00 0.70 0.00 0.00 55.95 55.82 2h3k s SER 115 Cb -0.13 0.63 0.14 0.00 -1.71 0.00 0.00 66.02 64.95 2h3k s SER 115 CO -0.09 -1.24 0.60 -0.94 1.20 0.00 0.00 173.24 172.77 2h3k s SER 116 N -3.21 -1.05 0.05 5.45 1.04 -1.26 -2.92 113.70 111.80 2h3k s SER 116 Ca 0.18 1.29 0.03 0.00 0.48 0.00 0.00 55.95 57.93 2h3k s SER 116 Cb -0.03 2.12 -0.04 0.00 0.10 0.00 0.00 66.02 68.16 2h3k s SER 116 CO 0.07 -0.23 -0.01 0.42 0.98 0.00 0.00 173.24 174.47 2h3k s THR 117 N 2.84 4.03 -0.10 2.02 -4.23 -0.95 -3.28 115.64 115.98 2h3k s THR 117 Ca 0.02 -0.82 -0.01 0.00 -1.18 0.00 0.00 61.69 59.70 2h3k s THR 117 Cb -0.13 -2.86 0.03 0.00 1.34 0.00 0.00 72.50 70.88 2h3k s THR 117 CO -0.19 0.24 -0.03 -1.58 -0.54 0.00 0.00 174.62 172.52 2h3k s GLN 118 N -1.93 1.06 -0.19 3.99 0.74 -1.17 -2.21 119.66 119.97 2h3k s GLN 118 Ca 0.23 -0.12 0.15 0.00 0.05 0.00 0.00 55.36 55.67 2h3k s GLN 118 Cb -0.12 -1.36 0.75 0.00 1.10 0.00 0.00 33.01 33.38 2h3k s GLN 118 CO 0.14 -0.31 1.66 -0.89 -0.55 0.00 0.00 175.29 175.34 2h3k n ILE 119 N 5.04 2.33 -3.22 -2.34 -0.00 -1.26 -4.86 119.36 115.06 2h3k n ILE 119 Ca -0.10 -1.26 -0.23 0.00 -0.00 0.00 0.00 62.75 61.16 2h3k n ILE 119 Cb 0.50 -0.16 0.05 0.00 -0.00 0.00 0.00 39.64 40.03 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 0.76 -6.23 -0.04 4.38 2.03 -1.26 -4.93 116.55 111.27 2h3k n ASP 120 Ca 0.26 -0.37 -0.03 0.00 0.52 0.00 0.00 54.79 55.16 2h3k n ASP 120 Cb 1.06 -4.98 -0.01 0.00 -0.72 0.00 0.00 41.12 36.47 2h3k n ASP 120 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2h3k n ASP 121 N -2.67 1.01 0.16 1.67 2.03 -1.26 -5.04 116.55 112.45 2h3k n ASP 121 Ca -0.07 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.62 2h3k n ASP 121 Cb 0.60 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 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 1.62 -1.51 3.67 0.27 0.00 -1.26 -5.14 105.19 102.85 2h3k n GLY 122 Ca -0.05 0.32 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 2.44 -0.20 1.61 2.12 -1.26 -5.08 118.70 116.33 2h3k s GLU 123 Ca 0.00 -1.08 -0.27 0.00 0.36 0.00 0.00 54.97 53.98 2h3k s GLU 123 Cb 0.00 -2.38 -0.00 0.00 0.26 0.00 0.00 34.13 32.00 2h3k s GLU 123 CO 0.00 0.46 0.93 -2.00 -0.54 0.00 0.00 175.26 174.11 2h3k s GLU 124 N -2.93 4.28 -0.81 4.30 2.12 -1.26 -4.84 118.70 119.56 2h3k s GLU 124 Ca 0.28 1.17 -0.25 0.00 0.36 0.00 0.00 54.97 56.53 2h3k s GLU 124 Cb -0.09 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 2h3k s GLU 124 CO 0.19 -0.48 1.92 0.99 -0.54 0.00 0.00 175.26 177.34 2h3k s THR 125 N 2.66 3.42 -0.20 -1.70 2.01 -0.94 -4.94 115.64 115.96 2h3k s THR 125 Ca 0.41 -0.19 -0.07 0.00 0.31 0.00 0.00 61.69 62.14 2h3k s THR 125 Cb -0.16 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 2h3k s THR 125 CO 0.10 -0.94 0.07 0.21 -0.69 0.00 0.00 174.62 173.36 2h3k s ASN 126 N 8.03 5.53 -0.12 3.53 3.84 -1.26 -2.23 114.94 132.26 2h3k s ASN 126 Ca 0.69 0.01 -0.08 0.00 0.21 0.00 0.00 52.86 53.69 2h3k s ASN 126 Cb -0.08 -1.96 -0.26 0.00 -0.55 0.00 0.00 41.25 38.40 2h3k s ASN 126 CO 0.06 0.12 0.37 1.88 -2.79 0.00 0.00 177.10 176.74 2h3k h TYR 127 N 7.08 0.46 0.00 0.43 -1.99 -1.89 -3.48 116.97 117.58 2h3k h TYR 127 Ca -0.37 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.03 2h3k h TYR 127 Cb 1.17 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.88 2h3k h TYR 127 CO 0.59 1.76 0.00 -3.47 -0.00 0.00 0.00 178.16 177.04 2h3k n ASP 128 N -3.57 0.00 -4.08 3.88 2.03 -1.26 -4.49 116.55 109.06 2h3k n ASP 128 Ca -0.32 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.67 2h3k n ASP 128 Cb 1.02 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 41.27 2h3k n ASP 128 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2h3k s TYR 129 N 0.00 3.40 -0.33 -0.67 5.04 -1.26 -4.60 117.35 118.93 2h3k s TYR 129 Ca 0.00 -2.38 0.04 0.00 -2.44 0.00 0.00 57.07 52.28 2h3k s TYR 129 Cb 0.00 -2.26 0.09 0.00 0.35 0.00 0.00 41.96 40.14 2h3k s TYR 129 CO 0.00 -0.88 0.03 0.99 -1.34 0.00 0.00 175.55 174.34 2h3k s THR 130 N 1.09 2.30 -0.60 4.34 2.01 -1.02 -4.55 115.64 119.22 2h3k s THR 130 Ca -0.03 -2.21 -0.25 0.00 0.31 0.00 0.00 61.69 59.52 2h3k s THR 130 Cb -0.20 -2.64 0.04 0.00 0.01 0.00 0.00 72.50 69.72 2h3k s THR 130 CO -0.05 -0.50 1.02 -0.75 -0.69 0.00 0.00 174.62 173.65 2h3k s LYS 131 N 0.95 3.30 -0.56 4.92 2.20 -1.04 0.51 119.74 130.02 2h3k s LYS 131 Ca 0.07 -0.30 -0.16 0.00 -0.36 0.00 0.00 55.97 55.22 2h3k s LYS 131 Cb -0.19 -4.10 0.13 0.00 -1.51 0.00 0.00 37.83 32.17 2h3k s LYS 131 CO -0.07 -1.65 0.53 -1.17 -0.36 0.00 0.00 175.35 172.63 2h3k s LEU 132 N 4.30 6.20 -0.40 5.43 0.20 0.08 -1.97 118.68 132.51 2h3k s LEU 132 Ca 0.31 -1.84 -0.25 0.00 0.69 0.00 0.00 54.13 53.04 2h3k s LEU 132 Cb -0.12 -2.21 0.02 0.00 -0.43 0.00 0.00 46.19 43.44 2h3k s LEU 132 CO 0.18 -0.85 0.90 -0.69 -0.29 0.00 0.00 176.35 175.60 2h3k s VAL 133 N 1.55 4.57 1.07 1.68 1.01 -0.55 -2.76 120.40 126.95 2h3k s VAL 133 Ca 0.04 0.99 -0.16 0.00 0.00 0.00 0.00 61.98 62.85 2h3k s VAL 133 Cb -0.28 -4.35 0.11 0.00 0.00 0.00 0.00 36.38 31.85 2h3k s VAL 133 CO 0.02 -0.63 0.29 0.49 0.00 0.00 0.00 175.10 175.27 2h3k n PHE 134 N 6.86 -1.32 0.17 5.22 3.72 0.27 -0.33 117.46 132.06 2h3k n PHE 134 Ca 0.06 0.14 0.06 0.00 -0.05 0.00 0.00 57.45 57.66 2h3k n PHE 134 Cb 0.48 -1.66 0.15 0.00 -0.94 0.00 0.00 39.48 37.51 2h3k n PHE 134 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h3k h ALA 135 N -1.99 0.81 -2.82 4.37 0.00 -1.09 -3.42 119.26 115.12 2h3k h ALA 135 Ca -0.51 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.04 2h3k h ALA 135 Cb 1.33 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 2h3k h ALA 135 CO 0.38 0.44 -0.07 -1.59 0.00 0.00 0.00 179.25 178.41 2h3k s LYS 136 N -3.16 1.41 0.01 0.00 -2.85 -1.26 -5.00 119.74 108.89 2h3k s LYS 136 Ca 0.04 -1.05 -0.30 0.00 -1.00 0.00 0.00 55.97 53.65 2h3k s LYS 136 Cb 0.08 0.48 -0.05 0.00 -2.06 0.00 0.00 37.83 36.28 2h3k s LYS 136 CO 0.71 -0.58 1.31 -1.25 0.10 0.00 0.00 175.35 175.63 2h3k s PRO 137 N -3.94 4.33 -0.62 1.78 0.04 -1.26 -4.70 135.00 130.63 2h3k s PRO 137 Ca 0.15 1.86 -0.25 0.00 0.04 0.00 0.00 61.00 62.80 2h3k s PRO 137 Cb -0.00 -3.50 0.05 0.00 0.04 0.00 0.00 34.50 31.09 2h3k s PRO 137 CO 0.02 -0.47 1.05 0.42 0.04 0.00 0.00 177.00 178.06 2h3k s ILE 138 N 1.98 4.18 -0.22 0.56 -1.09 -1.19 -4.89 121.20 120.53 2h3k s ILE 138 Ca 0.61 0.22 -0.04 0.00 -2.23 0.00 0.00 60.65 59.21 2h3k s ILE 138 Cb -0.30 -4.68 -0.01 0.00 -1.58 0.00 0.00 42.46 35.89 2h3k s ILE 138 CO 0.26 -1.39 -0.05 -0.31 -1.23 0.00 0.00 174.94 172.22 2h3k s TYR 139 N 4.49 2.95 1.20 3.97 2.02 -1.26 -2.94 117.35 127.77 2h3k s TYR 139 Ca 0.31 -0.95 -0.16 0.00 -0.37 0.00 0.00 57.07 55.90 2h3k s TYR 139 Cb -0.12 -2.10 0.24 0.00 -0.40 0.00 0.00 41.96 39.58 2h3k s TYR 139 CO 0.17 -0.55 0.60 0.27 -1.57 0.00 0.00 175.55 174.48 2h3k n ASN 140 N 4.77 -2.38 -4.15 2.29 6.94 -1.26 -4.94 115.26 116.53 2h3k n ASN 140 Ca -0.18 -0.27 -0.39 0.00 -0.02 0.00 0.00 54.58 53.72 2h3k n ASN 140 Cb 0.51 -1.09 -0.08 0.00 -2.36 0.00 0.00 39.78 36.76 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 -2.24 5.60 0.34 0.53 1.11 -1.26 -4.88 116.67 115.88 2h3k s ASP 141 Ca 0.63 -2.88 0.27 0.00 0.18 0.00 0.00 52.55 50.74 2h3k s ASP 141 Cb -0.18 -1.94 1.01 0.00 1.07 0.00 0.00 42.92 42.88 2h3k s ASP 141 CO 0.63 -0.40 1.79 1.55 1.18 0.00 0.00 175.17 179.92 2h3k h PRO 142 N 7.12 0.00 0.00 8.23 0.13 -1.94 -3.34 132.00 142.21 2h3k h PRO 142 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2h3k h PRO 142 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2h3k h PRO 142 CO 0.73 0.00 -0.80 -1.13 -0.23 0.00 0.00 178.00 176.56 2h3k n SER 143 N -2.54 3.52 0.00 1.44 3.41 -1.26 -5.19 113.62 113.00 2h3k n SER 143 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2h3k n SER 143 Cb 0.30 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77