#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 4.32 0.00 0.00 -1.08 -1.26 -5.02 116.67 113.63 2h3k s ASP 2 Ca 0.00 -0.19 0.00 0.00 -0.52 0.00 0.00 52.55 51.84 2h3k s ASP 2 Cb 0.00 -1.36 0.00 0.00 -1.46 0.00 0.00 42.92 40.10 2h3k s ASP 2 CO 0.00 0.26 0.00 -1.84 0.52 0.00 0.00 175.17 174.11 2h3k n GLU 3 N 2.93 1.76 -3.65 4.34 0.28 -1.26 -5.13 120.64 119.91 2h3k n GLU 3 Ca -0.18 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.47 2h3k n GLU 3 Cb 0.53 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.32 2h3k n GLU 3 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2h3k s SER 4 N 1.00 6.30 0.60 -1.84 0.01 -1.26 -4.69 113.70 113.82 2h3k s SER 4 Ca 0.00 0.34 0.29 0.00 1.31 0.00 0.00 55.95 57.89 2h3k s SER 4 Cb 0.00 -2.13 1.52 0.00 0.21 0.00 0.00 66.02 65.62 2h3k s SER 4 CO 0.00 0.14 1.92 0.25 0.41 0.00 0.00 173.24 175.96 2h3k h LEU 5 N 6.69 0.00 -0.59 2.44 5.85 -1.79 0.45 115.31 128.37 2h3k h LEU 5 Ca -0.41 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.16 2h3k h LEU 5 Cb 1.16 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2h3k h LEU 5 CO 0.76 0.00 -0.68 0.50 -0.34 0.00 0.00 178.44 178.67 2h3k h LYS 6 N 0.00 0.11 0.00 1.25 3.64 -1.75 -2.64 116.57 117.18 2h3k h LYS 6 Ca 0.17 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 2h3k h LYS 6 Cb 1.02 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2h3k h LYS 6 CO -0.00 0.75 -1.78 -0.25 -2.27 0.00 0.00 179.45 175.90 2h3k n ASP 7 N -3.77 0.31 0.05 4.20 8.00 0.12 -4.19 116.55 121.27 2h3k n ASP 7 Ca -0.02 0.13 -0.13 0.00 0.71 0.00 0.00 54.79 55.48 2h3k n ASP 7 Cb 0.67 1.20 -0.03 0.00 -0.02 0.00 0.00 41.12 42.95 2h3k n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h3k h ALA 8 N 1.71 0.42 0.00 2.24 0.00 -0.37 -3.01 119.26 120.26 2h3k h ALA 8 Ca -0.13 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2h3k h ALA 8 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2h3k h ALA 8 CO 0.01 0.79 0.00 0.44 0.00 0.00 0.00 179.25 180.49 2h3k n ILE 9 N -3.79 0.86 -1.53 0.00 -6.64 -1.00 -3.58 119.36 103.68 2h3k n ILE 9 Ca -0.06 0.23 -0.29 0.00 -1.77 0.00 0.00 62.75 60.86 2h3k n ILE 9 Cb 0.79 -1.13 -0.06 0.00 -1.44 0.00 0.00 39.64 37.81 2h3k n ILE 9 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 2h3k n LYS 10 N -2.09 3.07 -4.13 6.28 4.76 -1.14 -4.86 118.16 120.05 2h3k n LYS 10 Ca 0.02 -2.42 -0.15 0.00 -2.87 0.00 0.00 58.31 52.89 2h3k n LYS 10 Cb 0.22 -2.31 -0.12 0.00 -1.84 0.00 0.00 35.03 30.97 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 0.80 1.06 0.41 4.39 1.11 -1.24 -5.02 116.67 118.19 2h3k s ASP 11 Ca 0.60 -0.50 0.28 0.00 0.18 0.00 0.00 52.55 53.11 2h3k s ASP 11 Cb 0.30 -0.01 0.99 0.00 1.07 0.00 0.00 42.92 45.27 2h3k s ASP 11 CO -0.14 -0.12 1.81 1.55 1.18 0.00 0.00 175.17 179.46 2h3k h PRO 12 N 4.69 0.00 0.22 8.23 0.13 -1.94 -3.13 132.00 140.20 2h3k h PRO 12 Ca -0.36 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.45 2h3k h PRO 12 Cb 1.20 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.35 2h3k h PRO 12 CO 0.42 0.00 -1.45 0.00 -0.23 0.00 0.00 178.00 176.74 2h3k h ALA 13 N 2.14 -0.06 -0.49 -0.56 0.00 -1.96 -3.26 119.26 115.05 2h3k h ALA 13 Ca 0.00 -0.90 -0.15 0.00 0.00 0.00 0.00 54.91 53.87 2h3k h ALA 13 Cb 0.60 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.47 2h3k h ALA 13 CO 0.00 0.80 0.19 1.28 0.00 0.00 0.00 179.25 181.52 2h3k n LEU 14 N -3.65 4.67 -4.36 0.00 4.77 -1.19 -4.76 117.00 112.47 2h3k n LEU 14 Ca -0.15 -2.42 -0.46 0.00 -0.03 0.00 0.00 56.01 52.95 2h3k n LEU 14 Cb 1.08 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2h3k n LEU 14 CO 0.58 0.65 0.60 -0.70 -1.33 0.00 0.00 177.39 177.20 2h3k s GLU 15 N -2.14 3.64 -0.22 3.23 2.56 -1.19 0.48 118.70 125.07 2h3k s GLU 15 Ca 0.36 -2.32 -0.04 0.00 0.00 0.00 0.00 54.97 52.97 2h3k s GLU 15 Cb 0.29 -4.57 0.02 0.00 2.00 0.00 0.00 34.13 31.86 2h3k s GLU 15 CO 0.09 -1.42 0.08 -1.71 -0.56 0.00 0.00 175.26 171.74 2h3k n ASN 16 N 4.60 -4.52 -4.32 -1.70 2.85 -1.16 -4.93 115.26 106.08 2h3k n ASN 16 Ca 0.17 1.15 -0.17 0.00 -0.11 0.00 0.00 54.58 55.62 2h3k n ASN 16 Cb 0.47 -4.53 -0.10 0.00 1.24 0.00 0.00 39.78 36.85 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 -1.11 1.29 -1.01 1.20 2.36 -1.26 -5.01 119.74 116.21 2h3k s LYS 17 Ca -0.09 -1.63 -0.15 0.00 -2.55 0.00 0.00 55.97 51.55 2h3k s LYS 17 Cb 0.01 -0.73 0.18 0.00 -1.05 0.00 0.00 37.83 36.23 2h3k s LYS 17 CO 0.65 -0.01 1.15 -2.00 1.55 0.00 0.00 175.35 176.68 2h3k s GLU 18 N -3.80 3.82 -0.40 4.03 2.56 -1.26 -4.86 118.70 118.79 2h3k s GLU 18 Ca 0.25 -2.32 -0.02 0.00 0.00 0.00 0.00 54.97 52.89 2h3k s GLU 18 Cb 0.04 -4.82 0.24 0.00 2.00 0.00 0.00 34.13 31.59 2h3k s GLU 18 CO 0.07 -1.61 2.12 -2.39 -0.56 0.00 0.00 175.26 172.89 2h3k n HIS 19 N 5.32 1.86 -3.09 5.30 1.44 -1.26 -4.45 115.22 120.34 2h3k n HIS 19 Ca 0.26 -2.16 -0.18 0.00 -2.01 0.00 0.00 57.72 53.63 2h3k n HIS 19 Cb 0.46 -1.10 -0.02 0.00 0.12 0.00 0.00 29.99 29.44 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 0.18 1.45 -3.79 4.39 9.92 -1.26 -4.99 116.55 122.45 2h3k n ASP 20 Ca 0.38 -3.08 -0.30 0.00 -0.53 0.00 0.00 54.79 51.27 2h3k n ASP 20 Cb 0.58 -0.60 -0.09 0.00 -0.64 0.00 0.00 41.12 40.37 2h3k n ASP 20 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2h3k n ILE 21 N 0.16 2.35 -2.74 0.53 5.41 -1.26 -5.02 119.36 118.79 2h3k n ILE 21 Ca 0.24 -5.10 0.00 0.00 1.00 0.00 0.00 62.75 58.90 2h3k n ILE 21 Cb 0.64 -2.19 0.00 0.00 -0.71 0.00 0.00 39.64 37.38 2h3k n ILE 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2h3k n GLY 22 N 1.61 -0.30 3.71 7.39 0.00 -1.26 -5.13 105.19 111.21 2h3k n GLY 22 Ca 0.24 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.00 0.06 -0.15 1.61 0.04 -1.26 -5.08 135.00 128.22 2h3k s PRO 23 Ca 0.00 0.13 -0.34 0.00 0.04 0.00 0.00 61.00 60.83 2h3k s PRO 23 Cb 0.00 -1.73 0.14 0.00 0.04 0.00 0.00 34.50 32.95 2h3k s PRO 23 CO 0.00 -2.90 1.32 -0.98 0.04 0.00 0.00 177.00 174.48 2h3k s ARG 24 N -5.32 0.21 0.25 4.56 1.70 -1.26 -4.56 118.95 114.52 2h3k s ARG 24 Ca 0.68 -0.10 0.01 0.00 -0.47 0.00 0.00 55.73 55.85 2h3k s ARG 24 Cb -0.13 0.08 -0.00 0.00 -0.57 0.00 0.00 34.95 34.33 2h3k s ARG 24 CO 0.55 -0.09 0.30 0.39 -1.08 0.00 0.00 175.30 175.37 2h3k n GLU 25 N -0.25 0.43 -4.07 3.89 -0.58 0.30 -4.93 120.64 115.42 2h3k n GLU 25 Ca -0.03 -2.11 -0.21 0.00 -0.42 0.00 0.00 57.16 54.40 2h3k n GLU 25 Cb 0.60 1.93 -0.17 0.00 -0.57 0.00 0.00 31.44 33.23 2h3k n GLU 25 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 2h3k s GLN 26 N -2.69 0.80 0.02 3.49 -2.07 -1.26 -2.54 119.66 115.41 2h3k s GLN 26 Ca 0.23 -0.07 0.03 0.00 -1.82 0.00 0.00 55.36 53.73 2h3k s GLN 26 Cb -0.00 -0.88 -0.01 0.00 -1.09 0.00 0.00 33.01 31.02 2h3k s GLN 26 CO 0.16 -0.13 -0.09 0.08 -1.32 0.00 0.00 175.29 173.99 2h3k s VAL 27 N 1.14 0.70 0.47 3.63 1.01 0.42 -4.92 120.40 122.86 2h3k s VAL 27 Ca -0.07 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2h3k s VAL 27 Cb -0.14 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 2h3k s VAL 27 CO -0.01 0.01 0.73 0.21 0.00 0.00 0.00 175.10 176.04 2h3k s ASN 28 N -0.70 5.90 -0.02 3.32 2.47 -1.26 0.14 114.94 124.80 2h3k s ASN 28 Ca -0.00 0.51 0.03 0.00 0.42 0.00 0.00 52.86 53.81 2h3k s ASN 28 Cb -0.06 -1.75 -0.00 0.00 -1.45 0.00 0.00 41.25 37.99 2h3k s ASN 28 CO 0.00 -0.71 -0.09 0.72 -3.72 0.00 0.00 177.10 173.30 2h3k s PHE 29 N -2.66 0.84 -0.37 0.43 -0.12 -1.26 -0.21 117.98 114.63 2h3k s PHE 29 Ca 0.48 -0.18 -0.17 0.00 -0.05 0.00 0.00 56.93 57.01 2h3k s PHE 29 Cb -0.10 -0.57 -0.00 0.00 -0.63 0.00 0.00 43.02 41.71 2h3k s PHE 29 CO 0.40 -0.05 0.43 -0.65 -0.05 0.00 0.00 175.22 175.30 2h3k s GLN 30 N 0.01 3.46 -0.21 1.99 1.11 0.45 -4.91 119.66 121.56 2h3k s GLN 30 Ca 0.00 -0.42 -0.25 0.00 0.01 0.00 0.00 55.36 54.70 2h3k s GLN 30 Cb -0.06 -3.85 -0.01 0.00 -1.01 0.00 0.00 33.01 28.09 2h3k s GLN 30 CO -0.00 -0.65 0.85 -0.51 0.01 0.00 0.00 175.29 174.99 2h3k s LEU 31 N 2.19 4.12 -0.11 2.90 1.43 -1.26 -1.61 118.68 126.33 2h3k s LEU 31 Ca 0.14 1.13 -0.03 0.00 -1.03 0.00 0.00 54.13 54.33 2h3k s LEU 31 Cb -0.16 -3.24 0.05 0.00 0.03 0.00 0.00 46.19 42.87 2h3k s LEU 31 CO 0.13 -0.49 0.14 -0.76 0.23 0.00 0.00 176.35 175.60 2h3k s LEU 32 N 2.61 0.03 0.00 1.79 1.43 -0.77 -3.95 118.68 119.82 2h3k s LEU 32 Ca 0.37 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 2h3k s LEU 32 Cb -0.16 0.12 0.00 0.00 0.03 0.00 0.00 46.19 46.18 2h3k s LEU 32 CO 0.09 -0.28 0.00 -0.67 0.23 0.00 0.00 176.35 175.72 2h3k n ASP 33 N 5.31 0.00 -1.75 2.29 -0.08 -1.24 -1.24 116.55 119.84 2h3k n ASP 33 Ca -0.05 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.09 2h3k n ASP 33 Cb 0.50 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.07 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 1.78 -0.85 -0.67 4.81 -1.26 -3.94 118.16 118.02 2h3k n LYS 34 Ca 0.00 -1.84 -0.01 0.00 -0.87 0.00 0.00 58.31 55.59 2h3k n LYS 34 Cb 0.00 -1.72 -0.02 0.00 0.02 0.00 0.00 35.03 33.31 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 -0.50 -0.10 -3.64 3.14 3.02 -1.26 -4.99 115.26 110.93 2h3k n ASN 35 Ca 0.36 -1.70 -0.27 0.00 -0.03 0.00 0.00 54.58 52.94 2h3k n ASN 35 Cb 1.22 -0.01 0.02 0.00 -0.61 0.00 0.00 39.78 40.40 2h3k n ASN 35 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2h3k n ASN 36 N 0.10 -4.76 -4.40 6.41 3.02 -1.25 -4.92 115.26 109.45 2h3k n ASN 36 Ca -0.07 -0.60 -0.42 0.00 -0.03 0.00 0.00 54.58 53.46 2h3k n ASN 36 Cb 0.73 -3.84 -0.10 0.00 -0.61 0.00 0.00 39.78 35.96 2h3k n ASN 36 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2h3k s GLU 37 N -6.33 2.87 0.21 3.52 2.02 -1.26 -4.93 118.70 114.79 2h3k s GLU 37 Ca 0.55 -1.11 -0.30 0.00 0.02 0.00 0.00 54.97 54.13 2h3k s GLU 37 Cb -0.27 -3.86 -0.08 0.00 0.10 0.00 0.00 34.13 30.01 2h3k s GLU 37 CO 0.67 -0.77 0.96 0.99 0.02 0.00 0.00 175.26 177.13 2h3k s THR 38 N 1.60 4.15 -0.09 3.63 2.01 -1.26 -3.71 115.64 121.98 2h3k s THR 38 Ca 0.03 2.05 -0.30 0.00 0.31 0.00 0.00 61.69 63.79 2h3k s THR 38 Cb -0.20 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 67.98 2h3k s THR 38 CO 0.08 0.44 1.18 -1.10 -0.69 0.00 0.00 174.62 174.53 2h3k s GLN 39 N -0.87 4.33 -0.06 4.92 -0.21 -1.25 -4.93 119.66 121.59 2h3k s GLN 39 Ca 0.43 1.63 -0.21 0.00 0.02 0.00 0.00 55.36 57.23 2h3k s GLN 39 Cb -0.26 -3.60 -0.31 0.00 1.00 0.00 0.00 33.01 29.85 2h3k s GLN 39 CO 0.32 -0.49 0.83 1.88 -2.12 0.00 0.00 175.29 175.71 2h3k h TYR 40 N 7.55 0.52 -4.15 0.91 -1.99 -1.98 -3.46 116.97 114.37 2h3k h TYR 40 Ca -0.32 -0.38 -0.48 0.00 2.00 0.00 0.00 58.73 59.56 2h3k h TYR 40 Cb 1.14 -0.02 0.03 0.00 2.00 0.00 0.00 36.73 39.89 2h3k h TYR 40 CO 0.74 1.35 0.38 0.71 -0.00 0.00 0.00 178.16 181.34 2h3k s TYR 41 N -2.43 3.14 -0.20 4.88 2.02 -1.26 -4.99 117.35 118.51 2h3k s TYR 41 Ca -0.15 1.53 0.22 0.00 -0.37 0.00 0.00 57.07 58.29 2h3k s TYR 41 Cb 0.01 -2.95 0.48 0.00 -0.40 0.00 0.00 41.96 39.10 2h3k s TYR 41 CO 0.82 -0.75 1.14 1.58 -1.57 0.00 0.00 175.55 176.76 2h3k n HIS 42 N -1.51 1.04 -2.28 2.71 -0.00 -1.26 -4.88 115.22 109.04 2h3k n HIS 42 Ca 0.08 -1.71 -0.27 0.00 0.46 0.00 0.00 57.72 56.28 2h3k n HIS 42 Cb 0.53 -0.22 0.01 0.00 -0.12 0.00 0.00 29.99 30.19 2h3k n HIS 42 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 2h3k n PHE 43 N -0.36 3.19 -0.00 1.57 3.01 -1.26 -4.64 117.46 118.96 2h3k n PHE 43 Ca 0.11 -2.80 0.02 0.00 1.01 0.00 0.00 57.45 55.78 2h3k n PHE 43 Cb 0.90 -0.26 -0.03 0.00 -0.01 0.00 0.00 39.48 40.08 2h3k n PHE 43 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2h3k n PHE 44 N -0.56 0.00 0.00 1.38 3.72 -1.26 -5.04 117.46 115.69 2h3k n PHE 44 Ca 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.82 2h3k n PHE 44 Cb 0.73 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 2h3k n PHE 44 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2h3k n SER 45 N -1.72 0.00 -4.59 4.37 3.41 -1.26 -4.38 113.62 109.44 2h3k n SER 45 Ca -0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.31 2h3k n SER 45 Cb 0.19 0.03 0.21 0.00 -0.26 0.00 0.00 64.21 64.38 2h3k n SER 45 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2h3k s ILE 46 N -0.46 1.99 0.00 -1.33 1.09 -1.25 -0.20 121.20 121.04 2h3k s ILE 46 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.55 2h3k s ILE 46 Cb 0.00 -2.35 0.00 0.00 -1.06 0.00 0.00 42.46 39.05 2h3k s ILE 46 CO 0.00 0.00 0.00 1.17 -0.10 0.00 0.00 174.94 176.01 2h3k n LYS 47 N -4.48 0.00 -2.82 2.79 4.81 -1.26 -4.68 118.16 112.53 2h3k n LYS 47 Ca 0.04 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.29 2h3k n LYS 47 Cb 0.57 -0.04 0.04 0.00 0.02 0.00 0.00 35.03 35.62 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 -2.53 5.30 0.65 3.14 1.11 -1.26 -5.08 116.67 117.99 2h3k s ASP 48 Ca 0.00 -0.30 -0.14 0.00 0.18 0.00 0.00 52.55 52.29 2h3k s ASP 48 Cb 0.00 -0.57 -0.01 0.00 1.07 0.00 0.00 42.92 43.41 2h3k s ASP 48 CO 0.00 -1.10 1.07 -2.16 1.18 0.00 0.00 175.17 174.16 2h3k s PRO 49 N -4.64 3.02 0.70 8.23 0.04 -1.26 -4.72 135.00 136.37 2h3k s PRO 49 Ca 0.58 1.19 -0.16 0.00 0.04 0.00 0.00 61.00 62.64 2h3k s PRO 49 Cb -0.09 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.48 2h3k s PRO 49 CO 0.37 -1.05 1.26 0.00 0.04 0.00 0.00 177.00 177.62 2h3k s ALA 50 N -2.60 2.19 -0.10 8.56 0.00 0.38 -4.66 121.76 125.53 2h3k s ALA 50 Ca 0.63 1.06 0.03 0.00 0.00 0.00 0.00 51.96 53.68 2h3k s ALA 50 Cb -0.17 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2h3k s ALA 50 CO 0.44 -1.83 -0.21 0.34 0.00 0.00 0.00 175.76 174.50 2h3k s ASP 51 N -1.70 2.81 -0.22 0.00 -1.08 -0.60 0.16 116.67 116.04 2h3k s ASP 51 Ca 0.79 -0.51 -0.13 0.00 -0.52 0.00 0.00 52.55 52.18 2h3k s ASP 51 Cb -0.34 -1.29 -0.04 0.00 -1.46 0.00 0.00 42.92 39.79 2h3k s ASP 51 CO 0.43 0.12 0.29 -0.69 0.52 0.00 0.00 175.17 175.85 2h3k s VAL 52 N 0.46 5.27 -0.79 1.11 1.01 -1.05 0.17 120.40 126.58 2h3k s VAL 52 Ca -0.17 0.47 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 2h3k s VAL 52 Cb -0.17 -3.63 0.20 0.00 0.00 0.00 0.00 36.38 32.79 2h3k s VAL 52 CO 0.07 0.30 0.68 -0.31 0.00 0.00 0.00 175.10 175.83 2h3k s TYR 53 N 1.16 3.70 -0.06 5.22 1.51 0.77 -0.54 117.35 129.11 2h3k s TYR 53 Ca 0.14 -2.59 -0.30 0.00 -1.01 0.00 0.00 57.07 53.31 2h3k s TYR 53 Cb -0.14 -3.44 -0.06 0.00 -0.11 0.00 0.00 41.96 38.21 2h3k s TYR 53 CO 0.06 -0.87 1.76 0.71 -1.11 0.00 0.00 175.55 176.10 2h3k s TYR 54 N -0.44 1.77 0.00 2.71 2.02 -1.26 -1.92 117.35 120.23 2h3k s TYR 54 Ca 0.21 0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.99 2h3k s TYR 54 Cb -0.13 -4.01 0.00 0.00 -0.40 0.00 0.00 41.96 37.42 2h3k s TYR 54 CO -0.07 -4.21 0.00 0.25 -1.57 0.00 0.00 175.55 169.95 2h3k n THR 55 N 5.72 0.00 0.14 -0.71 -2.24 -1.23 -4.67 114.28 111.30 2h3k n THR 55 Ca 0.19 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.97 2h3k n THR 55 Cb 0.43 -0.09 0.18 0.00 -2.10 0.00 0.00 70.33 68.75 2h3k n THR 55 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2h3k h LYS 56 N 0.00 0.00 0.00 -0.78 3.11 -1.96 -3.40 116.57 113.54 2h3k h LYS 56 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2h3k h LYS 56 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 2h3k h LYS 56 CO 0.00 0.59 0.00 1.63 -2.81 0.00 0.00 179.45 178.86 2h3k n LYS 57 N -3.69 0.00 -4.18 1.90 5.02 -1.26 -5.07 118.16 110.88 2h3k n LYS 57 Ca -0.01 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.17 2h3k n LYS 57 Cb 0.62 -0.21 -0.10 0.00 -0.02 0.00 0.00 35.03 35.32 2h3k n LYS 57 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2h3k s LYS 58 N 0.00 1.01 0.86 1.97 -0.14 -1.26 -4.98 119.74 117.19 2h3k s LYS 58 Ca 0.00 -1.50 -0.11 0.00 -1.36 0.00 0.00 55.97 53.01 2h3k s LYS 58 Cb 0.00 0.15 0.11 0.00 -1.68 0.00 0.00 37.83 36.42 2h3k s LYS 58 CO 0.00 -0.26 1.14 0.00 -0.76 0.00 0.00 175.35 175.47 2h3k s ALA 59 N -4.00 1.75 -0.28 5.17 0.00 -1.26 -3.52 121.76 119.62 2h3k s ALA 59 Ca 0.27 0.54 -0.02 0.00 0.00 0.00 0.00 51.96 52.75 2h3k s ALA 59 Cb 0.07 -3.41 0.09 0.00 0.00 0.00 0.00 23.12 19.88 2h3k s ALA 59 CO 0.04 -2.41 0.10 -1.21 0.00 0.00 0.00 175.76 172.28 2h3k s GLU 60 N -4.63 0.52 0.12 0.00 0.41 -0.81 -3.19 118.70 111.12 2h3k s GLU 60 Ca 0.66 -0.74 -0.31 0.00 -0.41 0.00 0.00 54.97 54.17 2h3k s GLU 60 Cb -0.22 -1.75 -0.07 0.00 -1.78 0.00 0.00 34.13 30.31 2h3k s GLU 60 CO 0.56 -0.92 1.29 0.08 -0.49 0.00 0.00 175.26 175.78 2h3k s VAL 61 N 1.83 3.53 -0.17 2.63 1.01 -0.33 -0.16 120.40 128.73 2h3k s VAL 61 Ca 0.07 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.21 2h3k s VAL 61 Cb -0.17 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.50 2h3k s VAL 61 CO -0.25 0.12 -0.17 -0.70 0.00 0.00 0.00 175.10 174.10 2h3k s GLU 62 N 0.68 2.67 0.07 2.72 2.12 0.44 -1.45 118.70 125.95 2h3k s GLU 62 Ca 0.60 -0.76 0.02 0.00 0.36 0.00 0.00 54.97 55.19 2h3k s GLU 62 Cb -0.34 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 2h3k s GLU 62 CO 0.32 -0.24 0.11 -0.51 -0.54 0.00 0.00 175.26 174.40 2h3k s LEU 63 N 1.36 3.94 0.29 2.70 1.02 -0.40 -1.56 118.68 126.02 2h3k s LEU 63 Ca 0.04 0.07 0.05 0.00 0.02 0.00 0.00 54.13 54.31 2h3k s LEU 63 Cb -0.13 -2.59 -0.02 0.00 0.02 0.00 0.00 46.19 43.47 2h3k s LEU 63 CO -0.12 0.18 0.42 -0.62 0.02 0.00 0.00 176.35 176.23 2h3k s ASP 64 N -2.38 6.17 0.03 2.29 2.15 -1.26 -2.86 116.67 120.80 2h3k s ASP 64 Ca 0.30 -0.02 -0.08 0.00 0.43 0.00 0.00 52.55 53.19 2h3k s ASP 64 Cb -0.12 -1.61 -0.00 0.00 -0.30 0.00 0.00 42.92 40.89 2h3k s ASP 64 CO 0.23 -0.23 0.15 -0.63 -0.17 0.00 0.00 175.17 174.52 2h3k s ILE 65 N -2.08 0.11 0.00 4.11 1.09 -0.46 -3.89 121.20 120.08 2h3k s ILE 65 Ca 0.39 -0.89 0.00 0.00 -1.10 0.00 0.00 60.65 59.04 2h3k s ILE 65 Cb -0.09 -0.77 0.00 0.00 -1.06 0.00 0.00 42.46 40.54 2h3k s ILE 65 CO 0.30 -0.49 0.00 -3.20 -0.10 0.00 0.00 174.94 171.45 2h3k n ASN 66 N 0.93 3.62 -2.26 3.58 5.15 0.72 -2.29 115.26 124.71 2h3k n ASN 66 Ca -0.20 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.52 2h3k n ASN 66 Cb 0.58 0.09 0.02 0.00 -0.53 0.00 0.00 39.78 39.94 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 -2.24 3.19 0.20 -0.44 -2.24 -1.26 -3.83 114.28 107.66 2h3k n THR 67 Ca 0.00 -2.56 0.18 0.00 -2.27 0.00 0.00 64.05 59.40 2h3k n THR 67 Cb 0.43 -1.37 0.79 0.00 -2.10 0.00 0.00 70.33 68.08 2h3k n THR 67 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h3k h ALA 68 N 2.17 1.78 0.00 6.98 0.00 -1.85 0.41 119.26 128.76 2h3k h ALA 68 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2h3k h ALA 68 Cb 0.75 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2h3k h ALA 68 CO 1.03 -0.48 0.00 0.43 0.00 0.00 0.00 179.25 180.22 2h3k n SER 69 N -3.42 0.61 -0.70 0.00 7.64 -1.26 -2.33 113.62 114.16 2h3k n SER 69 Ca 0.03 0.65 0.08 0.00 1.01 0.00 0.00 58.87 60.64 2h3k n SER 69 Cb 0.49 -0.78 0.11 0.00 -1.01 0.00 0.00 64.21 63.02 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 -2.18 0.29 -3.14 0.44 -2.24 0.14 -4.92 114.28 102.68 2h3k n THR 70 Ca 0.02 -0.64 -0.34 0.00 -2.27 0.00 0.00 64.05 60.82 2h3k n THR 70 Cb 0.22 1.09 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 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 -1.21 3.45 0.00 4.78 0.52 -0.98 0.87 118.94 126.37 2h3k s TRP 71 Ca 0.22 1.26 0.00 0.00 0.02 0.00 0.00 56.10 57.60 2h3k s TRP 71 Cb 0.14 -2.55 0.00 0.00 -1.15 0.00 0.00 33.47 29.91 2h3k s TRP 71 CO 0.20 0.17 0.00 1.17 0.02 0.00 0.00 176.95 178.51 2h3k n LYS 72 N -0.04 0.00 -4.29 4.98 0.00 -1.24 -3.32 118.16 114.25 2h3k n LYS 72 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 58.31 58.15 2h3k n LYS 72 Cb 0.52 -0.39 -0.09 0.00 0.00 0.00 0.00 35.03 35.08 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 -1.89 1.63 -0.29 1.64 2.20 -1.26 -2.99 119.74 118.78 2h3k s LYS 73 Ca 0.00 -1.93 -0.24 0.00 -0.36 0.00 0.00 55.97 53.44 2h3k s LYS 73 Cb 0.00 0.20 0.17 0.00 -1.51 0.00 0.00 37.83 36.69 2h3k s LYS 73 CO 0.00 -0.56 1.29 0.12 -0.36 0.00 0.00 175.35 175.84 2h3k s PHE 74 N -3.60 -0.20 -0.29 4.03 5.36 -1.23 -4.02 117.98 118.03 2h3k s PHE 74 Ca 0.39 0.48 -0.15 0.00 -0.96 0.00 0.00 56.93 56.68 2h3k s PHE 74 Cb 0.04 0.41 0.11 0.00 -0.34 0.00 0.00 43.02 43.23 2h3k s PHE 74 CO 0.22 -0.10 0.76 -1.21 -1.46 0.00 0.00 175.22 173.44 2h3k s GLU 75 N 0.22 0.60 -0.04 10.12 2.02 0.18 -4.90 118.70 126.90 2h3k s GLU 75 Ca 0.04 1.11 0.04 0.00 0.02 0.00 0.00 54.97 56.19 2h3k s GLU 75 Cb -0.05 0.25 -0.03 0.00 0.10 0.00 0.00 34.13 34.41 2h3k s GLU 75 CO -0.12 -0.14 -0.15 0.08 0.02 0.00 0.00 175.26 174.94 2h3k s VAL 76 N 1.81 2.98 -0.09 2.63 1.01 -1.26 0.15 120.40 127.63 2h3k s VAL 76 Ca -0.09 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 2h3k s VAL 76 Cb -0.06 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.18 2h3k s VAL 76 CO -0.19 0.57 0.24 -0.72 0.00 0.00 0.00 175.10 175.00 2h3k s TYR 77 N -0.74 -0.27 -0.05 5.22 1.13 -0.70 0.52 117.35 122.46 2h3k s TYR 77 Ca 0.12 0.65 0.06 0.00 -1.41 0.00 0.00 57.07 56.49 2h3k s TYR 77 Cb -0.11 0.08 -0.01 0.00 -1.10 0.00 0.00 41.96 40.83 2h3k s TYR 77 CO 0.01 -0.14 -0.24 -1.83 -2.51 0.00 0.00 175.55 170.85 2h3k s GLU 78 N 0.24 2.36 0.00 -3.49 4.04 -1.10 -0.78 118.70 119.97 2h3k s GLU 78 Ca -0.01 -0.85 0.00 0.00 0.04 0.00 0.00 54.97 54.15 2h3k s GLU 78 Cb -0.03 -2.03 0.00 0.00 0.02 0.00 0.00 34.13 32.09 2h3k s GLU 78 CO -0.01 0.38 0.00 -1.71 -1.84 0.00 0.00 175.26 172.08 2h3k n ASN 79 N 2.92 0.00 -1.62 0.83 5.15 -1.26 -2.50 115.26 118.78 2h3k n ASN 79 Ca -0.17 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.80 2h3k n ASN 79 Cb 0.52 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.80 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 -0.46 -3.60 1.20 5.15 -1.26 -5.12 115.26 112.63 2h3k n ASN 80 Ca 0.00 -1.25 -0.21 0.00 -0.60 0.00 0.00 54.58 52.52 2h3k n ASN 80 Cb 0.00 0.20 -0.16 0.00 -0.53 0.00 0.00 39.78 39.29 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 0.03 0.07 -0.41 1.20 0.74 -1.04 -5.10 119.66 115.15 2h3k s GLN 81 Ca 0.02 0.19 -0.29 0.00 0.05 0.00 0.00 55.36 55.33 2h3k s GLN 81 Cb 0.12 -1.16 0.02 0.00 1.10 0.00 0.00 33.01 33.09 2h3k s GLN 81 CO -0.03 -0.54 1.24 0.15 -0.55 0.00 0.00 175.29 175.56 2h3k s LYS 82 N 2.22 3.76 -0.03 1.67 -0.14 -1.26 -2.70 119.74 123.25 2h3k s LYS 82 Ca 0.04 0.87 -0.30 0.00 -1.36 0.00 0.00 55.97 55.22 2h3k s LYS 82 Cb -0.15 -3.92 -0.03 0.00 -1.68 0.00 0.00 37.83 32.06 2h3k s LYS 82 CO -0.08 -1.33 0.98 -0.51 -0.76 0.00 0.00 175.35 173.65 2h3k s LEU 83 N 4.64 4.33 -0.49 3.17 1.43 0.19 -4.94 118.68 127.01 2h3k s LEU 83 Ca 0.53 1.61 -0.28 0.00 -1.03 0.00 0.00 54.13 54.96 2h3k s LEU 83 Cb -0.11 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2h3k s LEU 83 CO 0.28 -0.31 1.55 -2.16 0.23 0.00 0.00 176.35 175.94 2h3k s PRO 84 N 1.28 3.28 0.20 1.29 0.04 -1.26 -4.03 135.00 135.80 2h3k s PRO 84 Ca 0.51 0.78 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 2h3k s PRO 84 Cb -0.20 -4.15 -0.08 0.00 0.04 0.00 0.00 34.50 30.11 2h3k s PRO 84 CO 0.25 -1.94 0.98 0.08 0.04 0.00 0.00 177.00 176.41 2h3k s VAL 85 N 6.48 4.12 0.10 -0.36 1.01 -1.26 -4.87 120.40 125.62 2h3k s VAL 85 Ca 0.62 1.99 0.07 0.00 0.00 0.00 0.00 61.98 64.65 2h3k s VAL 85 Cb -0.14 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2h3k s VAL 85 CO 0.28 0.41 -0.10 0.00 0.00 0.00 0.00 175.10 175.69 2h3k s ARG 86 N -0.78 2.14 0.16 2.72 3.03 -1.09 -4.92 118.95 120.22 2h3k s ARG 86 Ca 0.44 -1.02 -0.24 0.00 2.03 0.00 0.00 55.73 56.94 2h3k s ARG 86 Cb -0.26 -2.31 -0.08 0.00 -1.03 0.00 0.00 34.95 31.27 2h3k s ARG 86 CO 0.32 0.51 0.75 -1.17 -1.13 0.00 0.00 175.30 174.59 2h3k s LEU 87 N -2.17 4.57 -0.02 -1.89 2.96 -1.26 -2.50 118.68 118.36 2h3k s LEU 87 Ca 0.21 1.59 -0.02 0.00 -0.22 0.00 0.00 54.13 55.69 2h3k s LEU 87 Cb -0.11 -3.27 -0.01 0.00 0.50 0.00 0.00 46.19 43.30 2h3k s LEU 87 CO 0.13 0.21 -0.05 0.52 -1.32 0.00 0.00 176.35 175.84 2h3k n VAL 88 N 1.55 0.21 -3.96 1.68 0.31 0.19 -4.96 118.33 113.34 2h3k n VAL 88 Ca -0.06 0.45 -0.09 0.00 -0.01 0.00 0.00 64.34 64.64 2h3k n VAL 88 Cb 0.49 -1.62 -0.09 0.00 -0.91 0.00 0.00 33.84 31.71 2h3k n VAL 88 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2h3k s SER 89 N -4.21 0.26 -0.12 4.52 1.04 -1.22 -4.75 113.70 109.21 2h3k s SER 89 Ca -0.04 -0.70 -0.06 0.00 0.48 0.00 0.00 55.95 55.64 2h3k s SER 89 Cb 0.01 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.42 2h3k s SER 89 CO 0.06 -0.58 0.28 -0.47 0.98 0.00 0.00 173.24 173.51 2h3k s TYR 90 N -3.24 -0.41 0.52 5.02 5.04 0.18 -0.19 117.35 124.27 2h3k s TYR 90 Ca 0.00 0.93 -0.19 0.00 -2.44 0.00 0.00 57.07 55.38 2h3k s TYR 90 Cb 0.03 0.07 -0.07 0.00 0.35 0.00 0.00 41.96 42.34 2h3k s TYR 90 CO -0.08 -0.29 1.03 -1.12 -1.34 0.00 0.00 175.55 173.76 2h3k s SER 91 N 1.59 6.26 0.93 4.32 0.01 0.27 -2.96 113.70 124.11 2h3k s SER 91 Ca -0.07 1.84 -0.11 0.00 1.31 0.00 0.00 55.95 58.91 2h3k s SER 91 Cb -0.10 -2.54 0.15 0.00 0.21 0.00 0.00 66.02 63.73 2h3k s SER 91 CO -0.09 -0.84 1.09 -2.16 0.41 0.00 0.00 173.24 171.65 2h3k s PRO 92 N -3.57 0.99 0.15 12.44 0.04 -1.26 -3.67 135.00 140.12 2h3k s PRO 92 Ca 0.65 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 2h3k s PRO 92 Cb -0.15 -1.77 0.16 0.00 0.04 0.00 0.00 34.50 32.79 2h3k s PRO 92 CO 0.26 -2.46 1.02 0.28 0.04 0.00 0.00 177.00 176.14 2h3k n VAL 93 N -4.05 -0.34 -0.22 -0.36 0.31 -1.26 0.12 118.33 112.54 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 0.55 -2.04 0.31 0.00 -0.91 0.00 0.00 33.84 31.75 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 0.82 0.05 5.55 0.13 -2.03 -2.17 132.00 134.35 2h3k h PRO 94 Ca 0.23 -0.05 -0.30 0.00 -0.87 0.00 0.00 66.00 65.02 2h3k h PRO 94 Cb 0.40 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 31.31 2h3k h PRO 94 CO -0.65 0.55 -1.63 0.93 -0.23 0.00 0.00 178.00 176.96 2h3k h GLU 95 N 0.85 0.10 -6.08 0.86 3.07 0.20 -3.49 114.58 110.08 2h3k h GLU 95 Ca 0.33 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.36 58.95 2h3k h GLU 95 Cb 0.21 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2h3k h GLU 95 CO -0.11 0.81 -1.01 -3.47 -1.40 0.00 0.00 179.01 173.83 2h3k n ASP 96 N -3.25 -6.77 -3.41 1.42 -0.08 0.33 -4.93 116.55 99.88 2h3k n ASP 96 Ca -0.17 0.52 0.02 0.00 -1.51 0.00 0.00 54.79 53.65 2h3k n ASP 96 Cb 1.04 -2.60 -0.03 0.00 2.34 0.00 0.00 41.12 41.87 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 -1.31 -1.14 0.08 -0.67 3.76 -1.24 -4.45 115.29 110.32 2h3k s HIS 97 Ca 0.08 1.68 0.06 0.00 -0.15 0.00 0.00 55.06 56.74 2h3k s HIS 97 Cb -0.01 0.58 -0.04 0.00 1.11 0.00 0.00 32.58 34.22 2h3k s HIS 97 CO 0.36 -0.59 -0.07 0.00 -0.85 0.00 0.00 174.74 173.60 2h3k s ALA 98 N 2.78 3.06 -0.10 -1.40 0.00 -0.97 0.98 121.76 126.11 2h3k s ALA 98 Ca 0.02 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.82 2h3k s ALA 98 Cb -0.11 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 22.01 2h3k s ALA 98 CO -0.18 0.66 -0.14 0.71 0.00 0.00 0.00 175.76 176.81 2h3k s TYR 99 N -1.21 1.80 0.24 0.00 2.02 0.74 -1.36 117.35 119.58 2h3k s TYR 99 Ca 0.22 -0.81 0.02 0.00 -0.37 0.00 0.00 57.07 56.12 2h3k s TYR 99 Cb -0.11 -1.32 -0.05 0.00 -0.40 0.00 0.00 41.96 40.08 2h3k s TYR 99 CO 0.14 -0.43 0.06 0.96 -1.57 0.00 0.00 175.55 174.70 2h3k s ILE 100 N 1.00 0.70 0.04 2.71 -5.25 -1.14 0.55 121.20 119.80 2h3k s ILE 100 Ca -0.07 -2.00 -0.27 0.00 -0.99 0.00 0.00 60.65 57.31 2h3k s ILE 100 Cb -0.15 -2.47 0.09 0.00 2.95 0.00 0.00 42.46 42.88 2h3k s ILE 100 CO -0.01 -0.17 0.83 0.00 -1.79 0.00 0.00 174.94 173.80 2h3k s ARG 101 N -3.97 0.93 0.10 0.37 1.70 -1.04 -1.27 118.95 115.77 2h3k s ARG 101 Ca 0.33 -0.35 -0.08 0.00 -0.47 0.00 0.00 55.73 55.16 2h3k s ARG 101 Cb 0.07 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.87 2h3k s ARG 101 CO 0.11 -0.41 0.19 -0.59 -1.08 0.00 0.00 175.30 173.52 2h3k s PHE 102 N -3.26 0.23 0.74 5.89 -0.71 -0.53 -2.65 117.98 117.69 2h3k s PHE 102 Ca 0.04 -0.65 -0.11 0.00 -1.04 0.00 0.00 56.93 55.17 2h3k s PHE 102 Cb -0.01 -0.09 0.04 0.00 -1.21 0.00 0.00 43.02 41.75 2h3k s PHE 102 CO -0.09 -0.57 1.08 -1.25 -1.34 0.00 0.00 175.22 173.05 2h3k s PRO 103 N -3.89 2.52 -0.33 1.99 0.04 -1.26 -1.19 135.00 132.88 2h3k s PRO 103 Ca 0.08 0.99 0.01 0.00 0.04 0.00 0.00 61.00 62.11 2h3k s PRO 103 Cb 0.05 -1.94 0.14 0.00 0.04 0.00 0.00 34.50 32.79 2h3k s PRO 103 CO -0.09 -1.40 0.29 0.14 0.04 0.00 0.00 177.00 175.98 2h3k s VAL 104 N -3.00 -0.25 0.38 -0.36 -7.23 -1.19 -4.84 120.40 103.90 2h3k s VAL 104 Ca 0.60 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.87 2h3k s VAL 104 Cb -0.15 -0.89 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 2h3k s VAL 104 CO 0.55 -0.62 0.59 -0.94 -0.31 0.00 0.00 175.10 174.37 2h3k s SER 105 N 1.79 6.19 -1.43 4.85 1.04 -1.26 -4.26 113.70 120.61 2h3k s SER 105 Ca 0.13 0.45 0.00 0.00 0.48 0.00 0.00 55.95 57.01 2h3k s SER 105 Cb -0.16 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 64.03 2h3k s SER 105 CO -0.17 -0.41 0.00 -0.67 0.98 0.00 0.00 173.24 172.97 2h3k n ASP 106 N -1.89 -4.63 -1.79 7.02 -0.08 -1.26 -2.23 116.55 111.70 2h3k n ASP 106 Ca -0.03 0.21 -0.16 0.00 -1.51 0.00 0.00 54.79 53.30 2h3k n ASP 106 Cb 0.56 -3.56 -0.01 0.00 2.34 0.00 0.00 41.12 40.45 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 -1.12 -0.14 2.95 0.27 0.00 -1.23 -4.81 105.19 101.12 2h3k n GLY 107 Ca -0.16 -0.21 -0.54 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.89 0.00 0.11 2.61 -1.04 -0.95 -2.63 114.28 108.48 2h3k n THR 108 Ca -0.19 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.83 2h3k n THR 108 Cb 0.64 -0.42 -0.01 0.00 -1.82 0.00 0.00 70.33 68.71 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 4.79 5.46 -3.68 -2.82 7.27 -1.26 -3.06 117.38 124.07 2h3k n GLN 109 Ca 0.36 -0.07 -0.19 0.00 0.07 0.00 0.00 57.00 57.16 2h3k n GLN 109 Cb -0.04 -0.66 -0.18 0.00 2.41 0.00 0.00 30.24 31.77 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 -1.10 -0.07 0.00 3.69 2.02 -1.26 0.16 118.70 122.14 2h3k s GLU 110 Ca 0.01 0.37 -0.02 0.00 0.02 0.00 0.00 54.97 55.35 2h3k s GLU 110 Cb 0.02 -0.47 -0.01 0.00 0.10 0.00 0.00 34.13 33.77 2h3k s GLU 110 CO 0.09 -0.31 0.03 -0.48 0.02 0.00 0.00 175.26 174.61 2h3k s LEU 111 N 2.06 1.94 0.44 1.80 2.34 -1.08 -4.71 118.68 121.47 2h3k s LEU 111 Ca 0.03 -0.21 -0.10 0.00 0.06 0.00 0.00 54.13 53.92 2h3k s LEU 111 Cb -0.12 0.24 -0.06 0.00 -0.56 0.00 0.00 46.19 45.69 2h3k s LEU 111 CO -0.03 -0.20 0.80 -0.54 -1.06 0.00 0.00 176.35 175.32 2h3k s LYS 112 N -0.86 3.74 -0.08 1.48 3.01 0.04 -1.59 119.74 125.48 2h3k s LYS 112 Ca -0.09 0.48 0.03 0.00 -1.01 0.00 0.00 55.97 55.37 2h3k s LYS 112 Cb -0.06 -2.35 0.01 0.00 -1.01 0.00 0.00 37.83 34.42 2h3k s LYS 112 CO -0.00 -0.11 -0.17 0.42 0.51 0.00 0.00 175.35 176.00 2h3k s ILE 113 N -2.50 1.49 -0.22 2.17 1.01 -0.15 -1.72 121.20 121.29 2h3k s ILE 113 Ca 0.51 -0.69 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 2h3k s ILE 113 Cb -0.10 -1.32 0.03 0.00 0.01 0.00 0.00 42.46 41.07 2h3k s ILE 113 CO 0.35 0.43 -0.12 -0.69 0.00 0.00 0.00 174.94 174.91 2h3k s VAL 114 N 0.49 2.49 0.05 2.92 1.01 0.40 -2.58 120.40 125.18 2h3k s VAL 114 Ca -0.15 -1.03 -0.27 0.00 0.00 0.00 0.00 61.98 60.52 2h3k s VAL 114 Cb -0.16 -2.20 0.09 0.00 0.00 0.00 0.00 36.38 34.11 2h3k s VAL 114 CO 0.05 0.32 0.88 -0.94 0.00 0.00 0.00 175.10 175.42 2h3k s SER 115 N 1.29 -0.34 -0.24 3.32 1.04 -1.26 0.51 113.70 118.02 2h3k s SER 115 Ca 0.01 -0.10 -0.03 0.00 0.48 0.00 0.00 55.95 56.32 2h3k s SER 115 Cb -0.15 0.43 0.11 0.00 0.10 0.00 0.00 66.02 66.51 2h3k s SER 115 CO -0.08 -0.72 0.24 -0.44 0.98 0.00 0.00 173.24 173.22 2h3k s SER 116 N -2.61 1.69 0.74 7.02 0.01 -1.26 -2.25 113.70 117.04 2h3k s SER 116 Ca 0.06 -0.51 -0.03 0.00 1.31 0.00 0.00 55.95 56.78 2h3k s SER 116 Cb -0.01 0.36 0.13 0.00 0.21 0.00 0.00 66.02 66.71 2h3k s SER 116 CO -0.07 -0.36 1.03 0.42 0.41 0.00 0.00 173.24 174.67 2h3k s THR 117 N 2.32 2.17 -0.20 1.44 -4.23 -0.90 -3.61 115.64 112.62 2h3k s THR 117 Ca 0.08 -0.48 -0.05 0.00 -1.18 0.00 0.00 61.69 60.06 2h3k s THR 117 Cb -0.15 -2.69 0.10 0.00 1.34 0.00 0.00 72.50 71.10 2h3k s THR 117 CO -0.22 0.00 0.37 -1.58 -0.54 0.00 0.00 174.62 172.65 2h3k s GLN 118 N -5.24 0.30 -0.22 3.99 0.74 0.25 -1.77 119.66 117.71 2h3k s GLN 118 Ca 0.66 0.80 0.15 0.00 0.05 0.00 0.00 55.36 57.02 2h3k s GLN 118 Cb -0.06 -0.04 0.70 0.00 1.10 0.00 0.00 33.01 34.72 2h3k s GLN 118 CO 0.45 -0.40 1.62 -0.89 -0.55 0.00 0.00 175.29 175.52 2h3k n ILE 119 N 5.37 2.59 -3.35 -2.34 -0.00 -1.26 -4.48 119.36 115.89 2h3k n ILE 119 Ca -0.06 -1.63 -0.24 0.00 -0.00 0.00 0.00 62.75 60.82 2h3k n ILE 119 Cb 0.50 -0.27 0.03 0.00 -0.00 0.00 0.00 39.64 39.89 2h3k n ILE 119 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2h3k n ASP 120 N 0.11 -5.29 -0.02 4.38 8.00 -1.26 -4.85 116.55 117.62 2h3k n ASP 120 Ca 0.26 -0.44 0.08 0.00 0.71 0.00 0.00 54.79 55.40 2h3k n ASP 120 Cb 1.08 -4.26 -0.16 0.00 -0.02 0.00 0.00 41.12 37.76 2h3k n ASP 120 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2h3k n ASP 121 N -2.58 0.17 0.00 -2.24 -0.08 -1.26 -5.05 116.55 105.50 2h3k n ASP 121 Ca -0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 2h3k n ASP 121 Cb 0.57 1.85 0.00 0.00 2.34 0.00 0.00 41.12 45.88 2h3k n ASP 121 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2h3k n GLY 122 N 1.36 -0.28 3.75 0.27 0.00 -1.26 -5.10 105.19 103.93 2h3k n GLY 122 Ca -0.07 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2h3k n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h3k s GLU 123 N 0.00 4.42 0.14 1.61 2.02 -1.26 -5.01 118.70 120.62 2h3k s GLU 123 Ca 0.00 0.91 -0.31 0.00 0.02 0.00 0.00 54.97 55.59 2h3k s GLU 123 Cb 0.00 -3.36 -0.10 0.00 0.10 0.00 0.00 34.13 30.77 2h3k s GLU 123 CO 0.00 0.32 1.67 -2.00 0.02 0.00 0.00 175.26 175.26 2h3k s GLU 124 N -0.09 4.18 -0.95 1.61 2.12 -1.26 -4.84 118.70 119.47 2h3k s GLU 124 Ca 0.35 2.44 -0.25 0.00 0.36 0.00 0.00 54.97 57.87 2h3k s GLU 124 Cb -0.19 -3.33 -0.14 0.00 0.26 0.00 0.00 34.13 30.73 2h3k s GLU 124 CO 0.20 -0.71 2.17 0.99 -0.54 0.00 0.00 175.26 177.37 2h3k s THR 125 N 1.83 3.18 -0.51 -1.70 2.01 -0.73 -4.88 115.64 114.83 2h3k s THR 125 Ca 0.74 -0.22 -0.22 0.00 0.31 0.00 0.00 61.69 62.30 2h3k s THR 125 Cb -0.44 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 68.41 2h3k s THR 125 CO 0.33 -0.36 0.77 0.21 -0.69 0.00 0.00 174.62 174.88 2h3k s ASN 126 N 9.04 6.29 0.15 3.53 3.04 -1.26 -2.13 114.94 133.61 2h3k s ASN 126 Ca 0.81 -0.57 -0.08 0.00 0.04 0.00 0.00 52.86 53.07 2h3k s ASN 126 Cb -0.08 -2.36 -0.00 0.00 -1.54 0.00 0.00 41.25 37.27 2h3k s ASN 126 CO 0.10 -1.03 1.46 1.88 -3.04 0.00 0.00 177.10 176.47 2h3k h TYR 127 N 9.12 0.96 0.00 0.43 0.05 -1.79 -3.46 116.97 122.28 2h3k h TYR 127 Ca -0.27 -0.33 0.00 0.00 0.05 0.00 0.00 58.73 58.18 2h3k h TYR 127 Cb 1.09 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.64 2h3k h TYR 127 CO 0.82 1.12 0.00 -3.47 -1.05 0.00 0.00 178.16 175.58 2h3k n ASP 128 N -4.00 0.00 -3.76 3.88 -0.08 -1.25 -4.48 116.55 106.86 2h3k n ASP 128 Ca -0.03 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 52.99 2h3k n ASP 128 Cb 0.60 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.89 2h3k n ASP 128 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2h3k s TYR 129 N 0.00 0.91 -0.28 -0.67 5.04 -1.26 -4.61 117.35 116.48 2h3k s TYR 129 Ca 0.00 -0.57 0.03 0.00 -2.44 0.00 0.00 57.07 54.08 2h3k s TYR 129 Cb 0.00 -0.95 0.07 0.00 0.35 0.00 0.00 41.96 41.43 2h3k s TYR 129 CO 0.00 -0.49 -0.05 0.99 -1.34 0.00 0.00 175.55 174.66 2h3k s THR 130 N 1.90 2.02 -0.72 4.34 2.01 -1.07 -4.46 115.64 119.66 2h3k s THR 130 Ca 0.02 -1.72 -0.27 0.00 0.31 0.00 0.00 61.69 60.03 2h3k s THR 130 Cb -0.15 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.12 2h3k s THR 130 CO -0.07 -0.21 1.41 -0.75 -0.69 0.00 0.00 174.62 174.31 2h3k s LYS 131 N 1.13 3.08 -0.83 4.92 2.20 -0.37 -0.97 119.74 128.89 2h3k s LYS 131 Ca -0.03 -0.10 -0.16 0.00 -0.36 0.00 0.00 55.97 55.32 2h3k s LYS 131 Cb -0.19 -4.27 0.17 0.00 -1.51 0.00 0.00 37.83 32.03 2h3k s LYS 131 CO -0.07 -2.28 0.89 -1.17 -0.36 0.00 0.00 175.35 172.36 2h3k s LEU 132 N 6.42 5.97 -0.53 5.43 0.20 -0.62 -1.84 118.68 133.70 2h3k s LEU 132 Ca 0.42 -2.30 -0.25 0.00 0.69 0.00 0.00 54.13 52.69 2h3k s LEU 132 Cb -0.09 -2.29 0.04 0.00 -0.43 0.00 0.00 46.19 43.42 2h3k s LEU 132 CO 0.15 -0.82 0.97 -0.69 -0.29 0.00 0.00 176.35 175.67 2h3k s VAL 133 N 1.40 4.36 1.08 1.68 1.01 -0.63 -2.64 120.40 126.66 2h3k s VAL 133 Ca 0.22 0.50 -0.18 0.00 0.00 0.00 0.00 61.98 62.52 2h3k s VAL 133 Cb -0.10 -4.54 0.06 0.00 0.00 0.00 0.00 36.38 31.80 2h3k s VAL 133 CO -0.07 -1.07 -0.09 0.49 0.00 0.00 0.00 175.10 174.36 2h3k n PHE 134 N 7.52 -1.53 0.12 5.22 3.72 0.43 -0.41 117.46 132.52 2h3k n PHE 134 Ca 0.04 0.20 0.01 0.00 -0.05 0.00 0.00 57.45 57.65 2h3k n PHE 134 Cb 0.48 -1.58 -0.01 0.00 -0.94 0.00 0.00 39.48 37.43 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 -1.85 0.63 -2.71 4.37 0.00 -0.87 -3.42 119.26 115.40 2h3k h ALA 135 Ca -0.50 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 53.75 2h3k h ALA 135 Cb 1.35 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 2h3k h ALA 135 CO 0.36 0.74 -0.24 -1.59 0.00 0.00 0.00 179.25 178.52 2h3k s LYS 136 N -2.92 1.27 0.13 0.00 -2.85 -1.26 -5.02 119.74 109.08 2h3k s LYS 136 Ca 0.03 -1.17 -0.30 0.00 -1.00 0.00 0.00 55.97 53.53 2h3k s LYS 136 Cb 0.08 0.41 -0.07 0.00 -2.06 0.00 0.00 37.83 36.19 2h3k s LYS 136 CO 0.76 -0.49 1.24 -1.25 0.10 0.00 0.00 175.35 175.71 2h3k s PRO 137 N -3.97 4.43 -0.94 1.78 0.04 -1.26 -4.64 135.00 130.44 2h3k s PRO 137 Ca 0.18 1.88 -0.18 0.00 0.04 0.00 0.00 61.00 62.93 2h3k s PRO 137 Cb 0.02 -3.28 0.15 0.00 0.04 0.00 0.00 34.50 31.43 2h3k s PRO 137 CO 0.02 -0.23 1.10 0.42 0.04 0.00 0.00 177.00 178.35 2h3k s ILE 138 N 0.59 4.90 -0.26 0.56 -1.09 -1.08 -4.91 121.20 119.91 2h3k s ILE 138 Ca 0.57 -1.82 -0.13 0.00 -2.23 0.00 0.00 60.65 57.04 2h3k s ILE 138 Cb -0.32 -4.74 -0.04 0.00 -1.58 0.00 0.00 42.46 35.77 2h3k s ILE 138 CO 0.33 -1.44 0.30 -0.31 -1.23 0.00 0.00 174.94 172.59 2h3k s TYR 139 N 2.17 3.26 1.06 3.97 2.02 -1.26 -3.48 117.35 125.09 2h3k s TYR 139 Ca 0.31 0.34 -0.18 0.00 -0.37 0.00 0.00 57.07 57.17 2h3k s TYR 139 Cb -0.05 -2.48 0.08 0.00 -0.40 0.00 0.00 41.96 39.10 2h3k s TYR 139 CO -0.09 -0.15 -0.15 -1.71 -1.57 0.00 0.00 175.55 171.88 2h3k n ASN 140 N 5.03 -2.67 -4.16 2.29 5.15 -1.26 -4.89 115.26 114.75 2h3k n ASN 140 Ca -0.11 -0.19 -0.39 0.00 -0.60 0.00 0.00 54.58 53.29 2h3k n ASN 140 Cb 0.51 -0.81 -0.06 0.00 -0.53 0.00 0.00 39.78 38.88 2h3k n ASN 140 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2h3k s ASP 141 N -1.74 5.90 0.29 1.20 1.11 -1.26 -4.87 116.67 117.31 2h3k s ASP 141 Ca 0.46 -3.14 0.25 0.00 0.18 0.00 0.00 52.55 50.30 2h3k s ASP 141 Cb -0.06 -1.96 1.00 0.00 1.07 0.00 0.00 42.92 42.96 2h3k s ASP 141 CO 0.55 -0.35 1.75 1.55 1.18 0.00 0.00 175.17 179.86 2h3k h PRO 142 N 6.84 0.00 0.00 8.23 0.13 -1.95 -3.32 132.00 141.93 2h3k h PRO 142 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2h3k h PRO 142 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2h3k h PRO 142 CO 0.78 0.00 -0.79 0.43 -0.23 0.00 0.00 178.00 178.19 2h3k n SER 143 N -2.36 3.46 0.00 1.44 7.64 -1.26 -5.24 113.62 117.30 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 0.27 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92