#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3k n ASP 2 N 0.00 -2.42 0.00 0.00 -0.08 -1.26 -5.02 116.55 107.77 2h3k n ASP 2 Ca 0.00 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 2h3k n ASP 2 Cb 0.00 -1.00 0.00 0.00 2.34 0.00 0.00 41.12 42.46 2h3k n ASP 2 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2h3k n GLU 3 N -1.65 0.00 -3.56 -0.67 0.28 -1.26 -5.13 120.64 108.65 2h3k n GLU 3 Ca 0.02 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.66 2h3k n GLU 3 Cb 0.60 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.40 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 1.14 6.39 0.56 -1.84 0.01 -1.26 -4.57 113.70 114.12 2h3k s SER 4 Ca 0.00 0.45 0.27 0.00 1.31 0.00 0.00 55.95 57.98 2h3k s SER 4 Cb 0.00 -2.17 1.49 0.00 0.21 0.00 0.00 66.02 65.55 2h3k s SER 4 CO 0.00 0.09 1.99 0.25 0.41 0.00 0.00 173.24 175.98 2h3k h LEU 5 N 6.80 0.00 -0.45 2.44 5.85 -1.34 0.90 115.31 129.50 2h3k h LEU 5 Ca -0.40 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.14 2h3k h LEU 5 Cb 1.16 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 2h3k h LEU 5 CO 0.75 0.00 -0.59 0.50 -0.34 0.00 0.00 178.44 178.76 2h3k h LYS 6 N 0.00 0.59 0.00 1.25 3.64 -1.78 -2.68 116.57 117.59 2h3k h LYS 6 Ca 0.20 -0.39 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 2h3k h LYS 6 Cb 0.95 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 2h3k h LYS 6 CO -0.00 1.01 -0.51 -0.44 -2.27 0.00 0.00 179.45 177.23 2h3k h ASP 7 N 0.44 0.00 1.92 4.20 5.19 -1.22 -3.26 116.42 123.70 2h3k h ASP 7 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2h3k h ASP 7 Cb 1.15 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 2h3k h ASP 7 CO 0.11 0.16 -0.08 0.00 -3.12 0.00 0.00 179.24 176.31 2h3k h ALA 8 N 1.84 0.95 -0.52 3.45 0.00 -1.00 -3.32 119.26 120.67 2h3k h ALA 8 Ca -0.02 -0.06 -0.47 0.00 0.00 0.00 0.00 54.91 54.35 2h3k h ALA 8 Cb 1.14 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.74 2h3k h ALA 8 CO 0.02 0.09 0.38 0.44 0.00 0.00 0.00 179.25 180.17 2h3k n ILE 9 N -3.11 3.25 -2.16 0.00 -5.35 -1.02 -4.05 119.36 106.92 2h3k n ILE 9 Ca 0.04 -2.81 0.00 0.00 -0.27 0.00 0.00 62.75 59.71 2h3k n ILE 9 Cb 0.56 -1.57 -0.00 0.00 -1.74 0.00 0.00 39.64 36.88 2h3k n ILE 9 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2h3k n LYS 10 N 0.84 0.00 -4.02 6.28 4.76 -1.25 -4.96 118.16 119.81 2h3k n LYS 10 Ca 0.47 -1.17 -0.24 0.00 -2.87 0.00 0.00 58.31 54.50 2h3k n LYS 10 Cb 0.56 -0.12 -0.04 0.00 -1.84 0.00 0.00 35.03 33.60 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 -1.17 5.98 0.49 4.39 1.01 -1.26 -5.00 116.67 121.11 2h3k s ASP 11 Ca 0.11 -0.02 0.28 0.00 0.71 0.00 0.00 52.55 53.64 2h3k s ASP 11 Cb 0.13 -1.68 0.94 0.00 1.01 0.00 0.00 42.92 43.31 2h3k s ASP 11 CO -0.06 0.00 1.83 1.55 0.21 0.00 0.00 175.17 178.70 2h3k h PRO 12 N 1.78 0.00 0.00 8.23 0.13 -1.99 -3.10 132.00 137.05 2h3k h PRO 12 Ca -0.49 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 2h3k h PRO 12 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2h3k h PRO 12 CO 0.63 0.07 -1.52 0.00 -0.23 0.00 0.00 178.00 176.96 2h3k n ALA 13 N -2.13 1.87 -1.07 -0.56 0.00 -1.26 -4.02 120.51 113.35 2h3k n ALA 13 Ca 0.01 -0.61 -0.14 0.00 0.00 0.00 0.00 53.44 52.70 2h3k n ALA 13 Cb 0.41 -0.90 0.24 0.00 0.00 0.00 0.00 19.45 19.20 2h3k n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2h3k n LEU 14 N -2.89 6.33 0.01 0.00 4.77 -1.18 -4.01 117.00 120.04 2h3k n LEU 14 Ca -0.12 -3.34 0.00 0.00 -0.03 0.00 0.00 56.01 52.53 2h3k n LEU 14 Cb 0.88 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 2h3k n LEU 14 CO 0.43 0.91 -0.49 1.21 -1.33 0.00 0.00 177.39 178.12 2h3k n GLU 15 N -0.58 0.64 -2.67 3.23 2.13 -1.19 0.59 120.64 122.80 2h3k n GLU 15 Ca 0.49 0.12 -0.04 0.00 0.66 0.00 0.00 57.16 58.39 2h3k n GLU 15 Cb 1.50 -1.72 0.05 0.00 0.27 0.00 0.00 31.44 31.54 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 -2.77 -1.27 -4.81 4.31 2.85 -1.25 -3.83 115.26 108.49 2h3k n ASN 16 Ca -0.12 -1.86 -0.33 0.00 -0.11 0.00 0.00 54.58 52.15 2h3k n ASN 16 Cb 0.84 1.10 -0.03 0.00 1.24 0.00 0.00 39.78 42.93 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 0.06 3.77 -1.39 1.20 2.36 -1.26 -4.93 119.74 119.56 2h3k s LYS 17 Ca 0.12 1.21 -0.15 0.00 -2.55 0.00 0.00 55.97 54.59 2h3k s LYS 17 Cb 0.18 -2.10 0.04 0.00 -1.05 0.00 0.00 37.83 34.90 2h3k s LYS 17 CO -0.09 -0.44 2.10 -0.85 1.55 0.00 0.00 175.35 177.62 2h3k n GLU 18 N -1.30 2.85 -1.19 4.03 0.00 -1.26 -4.83 120.64 118.95 2h3k n GLU 18 Ca 0.08 -2.72 -0.35 0.00 0.00 0.00 0.00 57.16 54.17 2h3k n GLU 18 Cb 0.53 -3.33 -0.03 0.00 0.00 0.00 0.00 31.44 28.62 2h3k n GLU 18 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 2h3k n HIS 19 N 6.81 2.20 -2.70 -1.84 1.44 -1.26 -4.23 115.22 115.63 2h3k n HIS 19 Ca 0.51 -2.84 -0.07 0.00 -2.01 0.00 0.00 57.72 53.31 2h3k n HIS 19 Cb 0.41 -2.31 0.10 0.00 0.12 0.00 0.00 29.99 28.30 2h3k n HIS 19 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2h3k n ASP 20 N 3.77 -1.91 -3.80 4.39 2.03 -1.26 -5.09 116.55 114.67 2h3k n ASP 20 Ca 0.71 -2.95 -0.28 0.00 0.52 0.00 0.00 54.79 52.79 2h3k n ASP 20 Cb 0.21 1.61 -0.16 0.00 -0.72 0.00 0.00 41.12 42.06 2h3k n ASP 20 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2h3k s ILE 21 N 0.19 0.78 -0.84 5.18 1.01 -1.26 -5.06 121.20 121.19 2h3k s ILE 21 Ca 0.22 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2h3k s ILE 21 Cb 0.29 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.63 2h3k s ILE 21 CO -0.11 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.38 2h3k n GLY 22 N 4.97 0.45 3.77 6.18 0.00 -1.26 -5.06 105.19 114.24 2h3k n GLY 22 Ca -0.10 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.34 1.94 0.00 1.61 0.04 -1.26 -5.06 135.00 131.93 2h3k s PRO 23 Ca 0.00 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2h3k s PRO 23 Cb 0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2h3k s PRO 23 CO 0.00 -1.77 0.00 2.89 0.04 0.00 0.00 177.00 178.16 2h3k n ARG 24 N -3.56 0.00 -3.31 4.56 1.85 -1.26 -4.57 116.66 110.37 2h3k n ARG 24 Ca 0.07 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.81 2h3k n ARG 24 Cb 0.55 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.92 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 -0.17 0.28 -4.73 2.89 -0.58 -0.90 -4.95 120.64 112.48 2h3k n GLU 25 Ca 0.00 -1.98 -0.25 0.00 -0.42 0.00 0.00 57.16 54.50 2h3k n GLU 25 Cb 0.00 1.67 -0.16 0.00 -0.57 0.00 0.00 31.44 32.38 2h3k n GLU 25 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2h3k s GLN 26 N -2.77 1.76 0.01 3.49 -1.52 -1.26 -2.33 119.66 117.04 2h3k s GLN 26 Ca 0.23 -0.53 0.02 0.00 -1.95 0.00 0.00 55.36 53.13 2h3k s GLN 26 Cb 0.01 -1.49 -0.01 0.00 -0.22 0.00 0.00 33.01 31.30 2h3k s GLN 26 CO 0.17 0.15 -0.06 0.08 -0.25 0.00 0.00 175.29 175.38 2h3k s VAL 27 N 0.29 0.42 0.29 1.09 1.01 0.17 -4.97 120.40 118.70 2h3k s VAL 27 Ca -0.09 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 2h3k s VAL 27 Cb -0.13 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 2h3k s VAL 27 CO 0.03 -0.11 0.52 0.21 0.00 0.00 0.00 175.10 175.76 2h3k s ASN 28 N -0.72 6.39 -0.02 3.32 2.47 -1.26 0.75 114.94 125.88 2h3k s ASN 28 Ca -0.03 0.59 0.05 0.00 0.42 0.00 0.00 52.86 53.89 2h3k s ASN 28 Cb -0.05 -2.09 -0.01 0.00 -1.45 0.00 0.00 41.25 37.64 2h3k s ASN 28 CO -0.00 -0.20 -0.15 0.72 -3.72 0.00 0.00 177.10 173.75 2h3k s PHE 29 N -2.11 1.41 -0.36 0.43 -0.12 -1.26 0.16 117.98 116.13 2h3k s PHE 29 Ca 0.42 -0.29 -0.15 0.00 -0.05 0.00 0.00 56.93 56.86 2h3k s PHE 29 Cb -0.10 -0.92 -0.00 0.00 -0.63 0.00 0.00 43.02 41.37 2h3k s PHE 29 CO 0.31 -0.04 0.35 -0.65 -0.05 0.00 0.00 175.22 175.14 2h3k s GLN 30 N -0.30 3.39 -0.30 1.99 1.11 0.44 -4.92 119.66 121.07 2h3k s GLN 30 Ca 0.05 -0.59 -0.25 0.00 0.01 0.00 0.00 55.36 54.57 2h3k s GLN 30 Cb -0.07 -3.86 0.00 0.00 -1.01 0.00 0.00 33.01 28.08 2h3k s GLN 30 CO -0.00 -0.60 0.86 -0.51 0.01 0.00 0.00 175.29 175.05 2h3k s LEU 31 N 1.95 4.06 -0.08 2.90 1.43 -1.26 -1.50 118.68 126.18 2h3k s LEU 31 Ca 0.10 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 2h3k s LEU 31 Cb -0.17 -3.19 0.02 0.00 0.03 0.00 0.00 46.19 42.88 2h3k s LEU 31 CO 0.12 -0.66 -0.05 -0.76 0.23 0.00 0.00 176.35 175.22 2h3k s LEU 32 N 3.10 1.12 0.00 1.79 1.43 -0.98 -3.84 118.68 121.29 2h3k s LEU 32 Ca 0.35 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2h3k s LEU 32 Cb -0.14 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.45 2h3k s LEU 32 CO 0.12 -0.10 0.00 -0.90 0.23 0.00 0.00 176.35 175.70 2h3k n ASP 33 N 4.62 0.00 -1.89 2.29 5.75 -1.26 -2.04 116.55 124.03 2h3k n ASP 33 Ca -0.15 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.44 2h3k n ASP 33 Cb 0.50 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.68 2h3k n ASP 33 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2h3k n LYS 34 N 0.00 1.92 -0.77 0.11 4.81 -1.26 -3.96 118.16 119.01 2h3k n LYS 34 Ca 0.00 -2.00 -0.02 0.00 -0.87 0.00 0.00 58.31 55.42 2h3k n LYS 34 Cb 0.00 -1.78 -0.02 0.00 0.02 0.00 0.00 35.03 33.25 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 -0.34 -0.23 -3.99 3.14 3.02 -1.26 -5.00 115.26 110.60 2h3k n ASN 35 Ca 0.39 -1.57 -0.29 0.00 -0.03 0.00 0.00 54.58 53.08 2h3k n ASN 35 Cb 0.98 0.04 -0.00 0.00 -0.61 0.00 0.00 39.78 40.19 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 0.05 -2.60 -4.24 6.41 5.15 -1.25 -4.93 115.26 113.85 2h3k n ASN 36 Ca -0.09 -0.92 -0.38 0.00 -0.60 0.00 0.00 54.58 52.60 2h3k n ASN 36 Cb 0.66 -3.33 -0.12 0.00 -0.53 0.00 0.00 39.78 36.45 2h3k n ASN 36 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2h3k s GLU 37 N -6.61 2.52 0.33 1.20 2.12 -1.26 -4.96 118.70 112.03 2h3k s GLU 37 Ca 0.41 -1.31 -0.29 0.00 0.36 0.00 0.00 54.97 54.14 2h3k s GLU 37 Cb -0.22 -3.49 -0.10 0.00 0.26 0.00 0.00 34.13 30.58 2h3k s GLU 37 CO 0.87 -0.76 1.27 -0.08 -0.54 0.00 0.00 175.26 176.03 2h3k s THR 38 N 1.36 2.84 -1.05 -1.70 -1.32 -1.26 -3.99 115.64 110.51 2h3k s THR 38 Ca -0.00 0.84 -0.05 0.00 -1.21 0.00 0.00 61.69 61.26 2h3k s THR 38 Cb -0.21 -3.53 0.28 0.00 -1.51 0.00 0.00 72.50 67.53 2h3k s THR 38 CO 0.01 0.20 1.15 0.00 -2.21 0.00 0.00 174.62 173.77 2h3k n GLN 39 N 0.83 3.61 0.05 7.08 6.02 -1.25 -4.75 117.38 128.97 2h3k n GLN 39 Ca -0.00 -4.50 0.08 0.00 -0.01 0.00 0.00 57.00 52.57 2h3k n GLN 39 Cb 0.42 -2.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.12 2h3k n GLN 39 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2h3k n TYR 40 N 2.12 0.71 -0.10 1.08 4.19 -1.26 -4.32 117.16 119.58 2h3k n TYR 40 Ca 0.24 0.21 -0.14 0.00 3.31 0.00 0.00 57.90 61.53 2h3k n TYR 40 Cb 0.37 -0.88 -0.14 0.00 0.49 0.00 0.00 39.34 39.18 2h3k n TYR 40 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 2h3k n TYR 41 N -2.62 0.16 -3.19 2.98 4.01 -1.26 -4.79 117.16 112.44 2h3k n TYR 41 Ca -0.04 0.05 -0.44 0.00 -0.16 0.00 0.00 57.90 57.30 2h3k n TYR 41 Cb 0.64 -1.03 -0.06 0.00 -0.31 0.00 0.00 39.34 38.59 2h3k n TYR 41 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2h3k s HIS 42 N -2.52 3.08 -0.22 -0.72 3.76 -1.26 -5.03 115.29 112.38 2h3k s HIS 42 Ca -0.21 -0.85 -0.18 0.00 -0.15 0.00 0.00 55.06 53.66 2h3k s HIS 42 Cb 0.07 -3.70 -0.03 0.00 1.11 0.00 0.00 32.58 30.04 2h3k s HIS 42 CO 0.72 -1.10 0.53 0.12 -0.85 0.00 0.00 174.74 174.16 2h3k s PHE 43 N 2.38 3.34 -0.02 1.40 2.19 -1.26 -4.85 117.98 121.16 2h3k s PHE 43 Ca 0.11 0.74 -0.01 0.00 0.33 0.00 0.00 56.93 58.09 2h3k s PHE 43 Cb -0.23 -2.70 -0.00 0.00 -1.31 0.00 0.00 43.02 38.78 2h3k s PHE 43 CO 0.08 -0.17 -0.03 1.19 1.83 0.00 0.00 175.22 178.12 2h3k n PHE 44 N 5.06 0.04 -0.81 10.12 3.72 -1.26 -5.10 117.46 129.23 2h3k n PHE 44 Ca -0.04 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2h3k n PHE 44 Cb 0.50 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 -2.60 0.00 -0.73 4.37 7.64 -1.26 -4.95 113.62 116.08 2h3k n SER 45 Ca -0.01 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.95 2h3k n SER 45 Cb 0.04 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.22 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 0.00 0.44 2.08 -1.25 -4.89 119.36 115.74 2h3k n ILE 46 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2h3k n ILE 46 Cb 0.00 -0.20 0.00 0.00 -0.75 0.00 0.00 39.64 38.69 2h3k n ILE 46 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2h3k n LYS 47 N -2.18 0.00 -3.89 0.38 0.00 -1.26 -4.51 118.16 106.70 2h3k n LYS 47 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.08 2h3k n LYS 47 Cb 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.25 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 -0.85 4.69 0.73 3.14 1.01 -1.26 -5.11 116.67 119.01 2h3k s ASP 48 Ca 0.00 -0.96 -0.11 0.00 0.71 0.00 0.00 52.55 52.20 2h3k s ASP 48 Cb 0.00 -0.46 0.03 0.00 1.01 0.00 0.00 42.92 43.50 2h3k s ASP 48 CO 0.00 -0.62 1.07 -2.16 0.21 0.00 0.00 175.17 173.67 2h3k s PRO 49 N -4.02 2.63 0.41 8.23 0.04 -1.26 -4.80 135.00 136.23 2h3k s PRO 49 Ca 0.43 1.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.26 2h3k s PRO 49 Cb 0.01 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2h3k s PRO 49 CO 0.25 -1.34 1.33 0.00 0.04 0.00 0.00 177.00 177.27 2h3k s ALA 50 N -2.98 3.29 0.42 8.56 0.00 0.23 -4.79 121.76 126.48 2h3k s ALA 50 Ca 0.59 1.29 0.08 0.00 0.00 0.00 0.00 51.96 53.92 2h3k s ALA 50 Cb -0.15 -3.51 -0.00 0.00 0.00 0.00 0.00 23.12 19.45 2h3k s ALA 50 CO 0.55 -0.88 0.49 0.34 0.00 0.00 0.00 175.76 176.26 2h3k s ASP 51 N -0.65 5.39 -0.03 0.00 -1.08 -0.42 0.42 116.67 120.30 2h3k s ASP 51 Ca 0.57 -0.56 0.01 0.00 -0.52 0.00 0.00 52.55 52.05 2h3k s ASP 51 Cb -0.39 -0.62 0.01 0.00 -1.46 0.00 0.00 42.92 40.46 2h3k s ASP 51 CO 0.51 -0.71 -0.05 -0.69 0.52 0.00 0.00 175.17 174.75 2h3k s VAL 52 N -2.40 0.48 -0.47 1.11 1.01 -0.98 -2.02 120.40 117.12 2h3k s VAL 52 Ca 0.52 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.38 2h3k s VAL 52 Cb -0.07 -0.48 0.13 0.00 0.00 0.00 0.00 36.38 35.96 2h3k s VAL 52 CO 0.31 0.19 0.23 -0.31 0.00 0.00 0.00 175.10 175.52 2h3k s TYR 53 N 0.56 2.72 -0.49 5.22 2.02 0.36 -2.12 117.35 125.63 2h3k s TYR 53 Ca -0.07 -2.84 -0.29 0.00 -0.37 0.00 0.00 57.07 53.51 2h3k s TYR 53 Cb -0.11 -2.44 0.02 0.00 -0.40 0.00 0.00 41.96 39.04 2h3k s TYR 53 CO -0.00 -0.77 1.24 0.71 -1.57 0.00 0.00 175.55 175.15 2h3k s TYR 54 N 0.09 2.63 0.00 2.71 2.02 -1.26 -1.42 117.35 122.12 2h3k s TYR 54 Ca 0.17 0.64 0.00 0.00 -0.37 0.00 0.00 57.07 57.50 2h3k s TYR 54 Cb -0.25 -4.42 0.00 0.00 -0.40 0.00 0.00 41.96 36.89 2h3k s TYR 54 CO -0.01 -1.56 0.00 0.25 -1.57 0.00 0.00 175.55 172.66 2h3k n THR 55 N 6.89 0.00 0.30 -0.71 -2.24 -1.24 -4.78 114.28 112.50 2h3k n THR 55 Ca 0.13 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.05 2h3k n THR 55 Cb 0.49 -0.69 0.40 0.00 -2.10 0.00 0.00 70.33 68.42 2h3k n THR 55 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2h3k h LYS 56 N 0.00 0.00 0.00 -0.78 2.10 -1.94 -3.39 116.57 112.56 2h3k h LYS 56 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2h3k h LYS 56 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2h3k h LYS 56 CO 0.00 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.08 2h3k n LYS 57 N -2.94 0.00 -4.08 0.07 4.76 -1.26 -5.07 118.16 109.64 2h3k n LYS 57 Ca 0.03 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.38 2h3k n LYS 57 Cb 0.42 -0.24 -0.09 0.00 -1.84 0.00 0.00 35.03 33.28 2h3k n LYS 57 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2h3k s LYS 58 N 0.00 0.95 0.72 1.97 -0.14 -1.26 -5.02 119.74 116.96 2h3k s LYS 58 Ca 0.00 -1.33 -0.15 0.00 -1.36 0.00 0.00 55.97 53.13 2h3k s LYS 58 Cb 0.00 0.28 0.04 0.00 -1.68 0.00 0.00 37.83 36.46 2h3k s LYS 58 CO 0.00 -0.29 1.21 0.00 -0.76 0.00 0.00 175.35 175.52 2h3k s ALA 59 N -4.01 2.14 -0.12 5.17 0.00 -1.26 -3.65 121.76 120.03 2h3k s ALA 59 Ca 0.20 0.91 -0.04 0.00 0.00 0.00 0.00 51.96 53.03 2h3k s ALA 59 Cb 0.06 -3.48 0.05 0.00 0.00 0.00 0.00 23.12 19.75 2h3k s ALA 59 CO -0.00 -1.86 0.07 -1.21 0.00 0.00 0.00 175.76 172.76 2h3k s GLU 60 N -3.86 0.08 0.27 0.00 0.41 -0.51 -2.92 118.70 112.16 2h3k s GLU 60 Ca 0.75 0.07 -0.11 0.00 -0.41 0.00 0.00 54.97 55.26 2h3k s GLU 60 Cb -0.30 -1.34 -0.08 0.00 -1.78 0.00 0.00 34.13 30.63 2h3k s GLU 60 CO 0.45 -0.53 0.62 0.08 -0.49 0.00 0.00 175.26 175.39 2h3k s VAL 61 N 2.12 4.84 0.05 2.63 1.01 -0.78 0.13 120.40 130.41 2h3k s VAL 61 Ca 0.03 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.67 2h3k s VAL 61 Cb -0.14 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2h3k s VAL 61 CO -0.07 -0.14 -0.10 -0.70 0.00 0.00 0.00 175.10 174.09 2h3k s GLU 62 N -2.94 0.64 0.22 2.72 2.12 -0.86 -1.47 118.70 119.14 2h3k s GLU 62 Ca 0.50 -0.83 0.03 0.00 0.36 0.00 0.00 54.97 55.03 2h3k s GLU 62 Cb -0.11 -0.51 -0.05 0.00 0.26 0.00 0.00 34.13 33.72 2h3k s GLU 62 CO 0.21 0.10 0.01 -0.51 -0.54 0.00 0.00 175.26 174.53 2h3k s LEU 63 N -1.62 2.11 0.32 2.70 1.43 0.10 -1.31 118.68 122.41 2h3k s LEU 63 Ca -0.07 -1.23 0.10 0.00 -1.03 0.00 0.00 54.13 51.90 2h3k s LEU 63 Cb -0.10 -0.19 -0.05 0.00 0.03 0.00 0.00 46.19 45.87 2h3k s LEU 63 CO 0.01 -0.55 -0.07 1.51 0.23 0.00 0.00 176.35 177.48 2h3k s ASP 64 N -3.28 3.96 -0.26 2.29 -4.77 -1.26 -2.09 116.67 111.26 2h3k s ASP 64 Ca 0.29 -1.02 -0.02 0.00 -3.30 0.00 0.00 52.55 48.50 2h3k s ASP 64 Cb 0.06 -0.46 0.13 0.00 -1.09 0.00 0.00 42.92 41.56 2h3k s ASP 64 CO 0.08 -0.14 0.31 -0.63 0.70 0.00 0.00 175.17 175.50 2h3k s ILE 65 N -2.52 -0.46 0.08 2.11 1.09 -0.60 -3.81 121.20 117.08 2h3k s ILE 65 Ca 0.33 -0.27 -0.35 0.00 -1.10 0.00 0.00 60.65 59.26 2h3k s ILE 65 Cb -0.01 -0.87 -0.18 0.00 -1.06 0.00 0.00 42.46 40.34 2h3k s ILE 65 CO 0.18 -0.30 1.58 0.78 -0.10 0.00 0.00 174.94 177.08 2h3k h ASN 66 N 8.24 -1.16 -0.86 3.58 4.21 -1.79 -1.54 115.58 126.27 2h3k h ASN 66 Ca -0.15 0.07 -0.70 0.00 1.21 0.00 0.00 56.30 56.73 2h3k h ASN 66 Cb 1.12 0.35 -0.09 0.00 -1.12 0.00 0.00 38.32 38.58 2h3k h ASN 66 CO 0.30 -0.66 2.57 0.35 -1.29 0.00 0.00 177.43 178.69 2h3k n THR 67 N -5.57 4.87 0.32 2.81 -2.24 -1.26 -3.33 114.28 109.88 2h3k n THR 67 Ca -0.13 -3.78 0.19 0.00 -2.27 0.00 0.00 64.05 58.06 2h3k n THR 67 Cb 0.45 -2.17 1.03 0.00 -2.10 0.00 0.00 70.33 67.55 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 4.56 1.24 0.00 6.98 0.00 -1.79 0.10 119.26 130.36 2h3k h ALA 68 Ca 0.72 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.61 2h3k h ALA 68 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2h3k h ALA 68 CO 1.48 -0.14 -0.06 1.03 0.00 0.00 0.00 179.25 181.57 2h3k h SER 69 N 0.00 0.00 1.51 0.00 0.87 -1.90 -3.01 113.55 111.01 2h3k h SER 69 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2h3k h SER 69 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2h3k h SER 69 CO -0.00 0.06 -0.24 0.71 -0.53 0.00 0.00 176.83 176.82 2h3k h THR 70 N 0.00 0.00 -3.45 2.23 1.35 -1.10 -3.46 112.91 108.48 2h3k h THR 70 Ca -0.00 -0.75 -0.37 0.00 -0.55 0.00 0.00 66.41 64.74 2h3k h THR 70 Cb 0.82 1.61 0.16 0.00 -1.73 0.00 0.00 68.15 69.01 2h3k h THR 70 CO 0.01 0.00 0.27 0.79 -0.25 0.00 0.00 175.52 176.34 2h3k n TRP 71 N -2.61 -3.92 0.00 4.73 7.02 -1.14 0.60 117.44 122.12 2h3k n TRP 71 Ca 0.04 -0.98 0.00 0.00 -1.02 0.00 0.00 57.50 55.54 2h3k n TRP 71 Cb 0.49 -0.94 0.00 0.00 -2.42 0.00 0.00 31.31 28.44 2h3k n TRP 71 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 2h3k n LYS 72 N -3.83 0.00 -3.63 -0.99 3.00 -1.24 -4.47 118.16 107.00 2h3k n LYS 72 Ca 0.14 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.30 2h3k n LYS 72 Cb 0.51 -0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.49 2h3k n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2h3k n LYS 73 N -2.50 0.40 -3.15 1.64 4.81 -1.26 -0.98 118.16 117.12 2h3k n LYS 73 Ca 0.00 -2.41 0.06 0.00 -0.87 0.00 0.00 58.31 55.08 2h3k n LYS 73 Cb 0.00 1.79 -0.02 0.00 0.02 0.00 0.00 35.03 36.82 2h3k n LYS 73 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 2h3k s PHE 74 N -2.88 -0.32 -0.50 5.64 2.19 -1.22 -4.31 117.98 116.57 2h3k s PHE 74 Ca 0.25 0.35 0.04 0.00 0.33 0.00 0.00 56.93 57.90 2h3k s PHE 74 Cb 0.01 0.12 0.17 0.00 -1.31 0.00 0.00 43.02 42.00 2h3k s PHE 74 CO 0.18 -0.18 0.37 -1.21 1.83 0.00 0.00 175.22 176.21 2h3k s GLU 75 N 2.95 1.38 0.58 10.12 2.02 0.18 -4.44 118.70 131.49 2h3k s GLU 75 Ca -0.05 -2.43 -0.18 0.00 0.02 0.00 0.00 54.97 52.32 2h3k s GLU 75 Cb -0.09 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.02 2h3k s GLU 75 CO -0.09 -1.33 1.15 0.54 0.02 0.00 0.00 175.26 175.54 2h3k s VAL 76 N -0.32 3.00 -0.02 2.63 0.11 -1.24 -3.02 120.40 121.54 2h3k s VAL 76 Ca 0.29 0.59 -0.07 0.00 -2.93 0.00 0.00 61.98 59.85 2h3k s VAL 76 Cb -0.02 -3.20 0.01 0.00 -1.53 0.00 0.00 36.38 31.64 2h3k s VAL 76 CO -0.16 -0.17 0.16 -0.47 -3.33 0.00 0.00 175.10 171.12 2h3k s TYR 77 N -1.83 -0.03 -0.05 1.54 5.04 0.55 -0.27 117.35 122.29 2h3k s TYR 77 Ca 0.73 0.05 -0.06 0.00 -2.44 0.00 0.00 57.07 55.35 2h3k s TYR 77 Cb -0.25 -0.01 0.01 0.00 0.35 0.00 0.00 41.96 42.06 2h3k s TYR 77 CO 0.32 -0.24 0.16 -1.83 -1.34 0.00 0.00 175.55 172.62 2h3k s GLU 78 N -0.99 0.28 0.00 4.97 -1.05 -0.89 0.12 118.70 121.13 2h3k s GLU 78 Ca -0.11 0.07 0.00 0.00 -0.15 0.00 0.00 54.97 54.78 2h3k s GLU 78 Cb -0.06 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 2h3k s GLU 78 CO 0.01 -0.05 0.00 -1.71 0.95 0.00 0.00 175.26 174.46 2h3k n ASN 79 N 2.58 0.00 -2.37 0.83 4.05 -1.26 -2.48 115.26 116.61 2h3k n ASN 79 Ca -0.15 0.00 -0.02 0.00 0.45 0.00 0.00 54.58 54.86 2h3k n ASN 79 Cb 0.58 0.00 0.09 0.00 1.23 0.00 0.00 39.78 41.68 2h3k n ASN 79 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2h3k n ASN 80 N 1.46 -1.11 -3.64 1.20 5.15 -1.26 -5.13 115.26 111.94 2h3k n ASN 80 Ca 0.00 -1.90 -0.09 0.00 -0.60 0.00 0.00 54.58 51.99 2h3k n ASN 80 Cb 0.00 0.55 -0.07 0.00 -0.53 0.00 0.00 39.78 39.73 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 0.10 0.74 -0.29 1.20 0.74 -1.03 -5.13 119.66 115.98 2h3k s GLN 81 Ca 0.07 1.15 -0.23 0.00 0.05 0.00 0.00 55.36 56.40 2h3k s GLN 81 Cb 0.31 0.22 -0.00 0.00 1.10 0.00 0.00 33.01 34.64 2h3k s GLN 81 CO -0.09 -0.13 0.78 0.21 -0.55 0.00 0.00 175.29 175.51 2h3k s LYS 82 N 1.24 4.00 0.02 1.67 2.47 -1.26 -2.10 119.74 125.77 2h3k s LYS 82 Ca -0.07 0.63 -0.22 0.00 -1.56 0.00 0.00 55.97 54.75 2h3k s LYS 82 Cb -0.05 -3.71 -0.05 0.00 -1.46 0.00 0.00 37.83 32.55 2h3k s LYS 82 CO -0.13 -0.64 0.67 -0.51 0.16 0.00 0.00 175.35 174.89 2h3k s LEU 83 N 2.91 4.44 -0.12 5.43 1.43 0.63 -4.95 118.68 128.45 2h3k s LEU 83 Ca 0.32 1.29 -0.29 0.00 -1.03 0.00 0.00 54.13 54.41 2h3k s LEU 83 Cb -0.14 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.01 2h3k s LEU 83 CO 0.12 0.07 1.23 -2.16 0.23 0.00 0.00 176.35 175.84 2h3k s PRO 84 N -0.18 4.28 0.31 1.29 0.04 -1.26 -3.73 135.00 135.75 2h3k s PRO 84 Ca 0.34 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 2h3k s PRO 84 Cb -0.19 -3.68 -0.10 0.00 0.04 0.00 0.00 34.50 30.57 2h3k s PRO 84 CO 0.20 -0.60 1.19 0.54 0.04 0.00 0.00 177.00 178.37 2h3k s VAL 85 N 2.97 3.15 -0.11 -0.36 0.11 -1.26 -4.80 120.40 120.10 2h3k s VAL 85 Ca 0.55 1.14 0.02 0.00 -2.93 0.00 0.00 61.98 60.76 2h3k s VAL 85 Cb -0.23 -3.72 -0.01 0.00 -1.53 0.00 0.00 36.38 30.89 2h3k s VAL 85 CO 0.17 0.26 -0.18 -0.60 -3.33 0.00 0.00 175.10 171.42 2h3k s ARG 86 N -1.65 3.11 -0.38 1.54 3.52 0.14 -4.88 118.95 120.35 2h3k s ARG 86 Ca 0.47 -0.78 -0.19 0.00 -0.13 0.00 0.00 55.73 55.10 2h3k s ARG 86 Cb -0.35 -2.44 0.01 0.00 -1.56 0.00 0.00 34.95 30.61 2h3k s ARG 86 CO 0.46 0.25 0.55 -1.17 -0.81 0.00 0.00 175.30 174.57 2h3k s LEU 87 N 0.21 4.44 0.11 -0.88 0.20 -1.26 0.99 118.68 122.49 2h3k s LEU 87 Ca -0.12 -0.16 -0.04 0.00 0.69 0.00 0.00 54.13 54.50 2h3k s LEU 87 Cb -0.16 -2.62 -0.16 0.00 -0.43 0.00 0.00 46.19 42.83 2h3k s LEU 87 CO 0.06 -0.58 1.25 -0.37 -0.29 0.00 0.00 176.35 176.43 2h3k h VAL 88 N 5.70 1.45 -2.01 1.68 -1.51 -1.26 -3.48 116.25 116.81 2h3k h VAL 88 Ca -0.27 -2.70 0.12 0.00 -1.23 0.00 0.00 66.70 62.63 2h3k h VAL 88 Cb 1.11 2.63 -0.17 0.00 -2.13 0.00 0.00 31.29 32.73 2h3k h VAL 88 CO 0.81 0.80 0.55 -0.55 -1.23 0.00 0.00 177.57 177.95 2h3k s SER 89 N -7.09 -0.33 -0.13 4.19 0.15 -1.22 -4.71 113.70 104.55 2h3k s SER 89 Ca -0.05 0.08 -0.06 0.00 0.70 0.00 0.00 55.95 56.63 2h3k s SER 89 Cb 0.08 0.33 0.06 0.00 -1.71 0.00 0.00 66.02 64.78 2h3k s SER 89 CO 0.87 -0.51 0.29 -0.47 1.20 0.00 0.00 173.24 174.62 2h3k s TYR 90 N -2.60 -0.43 0.51 3.44 5.04 0.20 -0.03 117.35 123.47 2h3k s TYR 90 Ca 0.04 0.97 -0.20 0.00 -2.44 0.00 0.00 57.07 55.44 2h3k s TYR 90 Cb -0.01 0.08 -0.07 0.00 0.35 0.00 0.00 41.96 42.31 2h3k s TYR 90 CO -0.06 -0.30 1.11 -1.12 -1.34 0.00 0.00 175.55 173.84 2h3k s SER 91 N 1.67 6.00 0.93 4.32 0.01 0.46 -3.45 113.70 123.63 2h3k s SER 91 Ca -0.06 2.13 -0.11 0.00 1.31 0.00 0.00 55.95 59.21 2h3k s SER 91 Cb -0.11 -2.58 0.15 0.00 0.21 0.00 0.00 66.02 63.69 2h3k s SER 91 CO -0.10 -1.03 1.09 -2.16 0.41 0.00 0.00 173.24 171.46 2h3k s PRO 92 N -3.14 0.98 0.16 12.44 0.04 -1.25 -3.57 135.00 140.66 2h3k s PRO 92 Ca 0.69 0.98 -0.12 0.00 0.04 0.00 0.00 61.00 62.60 2h3k s PRO 92 Cb -0.23 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.72 2h3k s PRO 92 CO 0.26 -2.48 1.08 0.28 0.04 0.00 0.00 177.00 176.19 2h3k n VAL 93 N -4.07 -0.37 -0.13 -0.36 0.31 -1.26 0.15 118.33 112.61 2h3k n VAL 93 Ca 0.07 1.64 0.06 0.00 -0.01 0.00 0.00 64.34 66.10 2h3k n VAL 93 Cb 0.54 -2.16 0.38 0.00 -0.91 0.00 0.00 33.84 31.69 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 0.66 0.02 5.55 0.13 -2.02 -1.70 132.00 134.63 2h3k h PRO 94 Ca 0.24 -0.04 -0.28 0.00 -0.87 0.00 0.00 66.00 65.05 2h3k h PRO 94 Cb 0.42 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.36 2h3k h PRO 94 CO -0.69 0.44 -1.56 0.93 -0.23 0.00 0.00 178.00 176.89 2h3k h GLU 95 N 0.68 0.03 -6.18 0.86 5.08 0.62 -3.49 114.58 112.18 2h3k h GLU 95 Ca 0.27 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.39 2h3k h GLU 95 Cb 0.19 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.47 2h3k h GLU 95 CO -0.08 0.68 -1.03 -3.47 -1.00 0.00 0.00 179.01 174.11 2h3k n ASP 96 N -3.16 -6.41 -3.49 1.42 -0.08 0.41 -4.91 116.55 100.31 2h3k n ASP 96 Ca -0.14 0.26 0.01 0.00 -1.51 0.00 0.00 54.79 53.41 2h3k n ASP 96 Cb 1.03 -2.52 -0.04 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 -1.50 -1.11 -0.05 -0.67 3.76 -1.21 -4.32 115.29 110.19 2h3k s HIS 97 Ca 0.21 1.79 0.02 0.00 -0.15 0.00 0.00 55.06 56.94 2h3k s HIS 97 Cb -0.03 0.62 -0.03 0.00 1.11 0.00 0.00 32.58 34.25 2h3k s HIS 97 CO 0.59 -0.56 -0.09 0.00 -0.85 0.00 0.00 174.74 173.83 2h3k s ALA 98 N 2.74 2.89 -0.32 -1.40 0.00 -0.59 0.17 121.76 125.25 2h3k s ALA 98 Ca -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2h3k s ALA 98 Cb -0.10 -1.12 0.07 0.00 0.00 0.00 0.00 23.12 21.97 2h3k s ALA 98 CO -0.18 0.58 0.02 0.71 0.00 0.00 0.00 175.76 176.88 2h3k s TYR 99 N -0.82 3.41 0.26 0.00 2.02 0.96 -1.56 117.35 121.62 2h3k s TYR 99 Ca 0.13 -2.27 0.09 0.00 -0.37 0.00 0.00 57.07 54.64 2h3k s TYR 99 Cb -0.11 -2.41 -0.04 0.00 -0.40 0.00 0.00 41.96 39.00 2h3k s TYR 99 CO 0.02 -0.88 0.05 0.96 -1.57 0.00 0.00 175.55 174.14 2h3k s ILE 100 N 1.14 3.74 0.23 2.71 -4.36 -0.89 -0.72 121.20 123.05 2h3k s ILE 100 Ca -0.01 -1.76 -0.16 0.00 -0.26 0.00 0.00 60.65 58.46 2h3k s ILE 100 Cb -0.20 -3.01 0.01 0.00 1.25 0.00 0.00 42.46 40.51 2h3k s ILE 100 CO -0.04 -0.37 0.53 0.00 0.24 0.00 0.00 174.94 175.31 2h3k s ARG 101 N -3.71 1.50 0.16 0.37 1.04 0.28 0.01 118.95 118.59 2h3k s ARG 101 Ca 0.32 -1.04 -0.20 0.00 -1.04 0.00 0.00 55.73 53.77 2h3k s ARG 101 Cb -0.07 0.51 0.05 0.00 -2.04 0.00 0.00 34.95 33.40 2h3k s ARG 101 CO 0.21 -0.64 0.53 -0.59 -0.04 0.00 0.00 175.30 174.77 2h3k s PHE 102 N -3.94 -0.35 0.68 5.89 -0.12 -0.54 0.29 117.98 119.89 2h3k s PHE 102 Ca 0.14 0.08 -0.12 0.00 -0.05 0.00 0.00 56.93 56.98 2h3k s PHE 102 Cb -0.02 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.82 2h3k s PHE 102 CO 0.03 -0.82 1.07 -1.25 -0.05 0.00 0.00 175.22 174.19 2h3k s PRO 103 N -3.79 2.93 -0.29 1.99 0.04 -1.26 -1.87 135.00 132.74 2h3k s PRO 103 Ca 0.03 1.07 -0.04 0.00 0.04 0.00 0.00 61.00 62.11 2h3k s PRO 103 Cb -0.00 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.66 2h3k s PRO 103 CO -0.10 -1.11 0.14 0.14 0.04 0.00 0.00 177.00 176.10 2h3k s VAL 104 N -2.83 -0.10 0.21 -0.36 -7.23 -1.15 -4.87 120.40 104.07 2h3k s VAL 104 Ca 0.60 -0.74 -0.06 0.00 -1.81 0.00 0.00 61.98 59.98 2h3k s VAL 104 Cb -0.15 -0.98 -0.06 0.00 0.56 0.00 0.00 36.38 35.75 2h3k s VAL 104 CO 0.50 -0.71 0.47 -0.55 -0.31 0.00 0.00 175.10 174.49 2h3k s SER 105 N 2.12 6.50 -1.50 4.85 0.15 -1.26 -4.22 113.70 120.34 2h3k s SER 105 Ca 0.09 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2h3k s SER 105 Cb -0.16 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2h3k s SER 105 CO -0.37 -0.05 0.00 0.47 1.20 0.00 0.00 173.24 174.49 2h3k n ASP 106 N -0.32 -4.82 -1.44 5.45 8.00 -1.26 -2.10 116.55 120.06 2h3k n ASP 106 Ca -0.02 0.15 -0.13 0.00 0.71 0.00 0.00 54.79 55.51 2h3k n ASP 106 Cb 0.53 -3.85 -0.01 0.00 -0.02 0.00 0.00 41.12 37.76 2h3k n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2h3k n GLY 107 N -1.02 -0.06 2.62 0.44 0.00 -1.23 -4.83 105.19 101.12 2h3k n GLY 107 Ca -0.18 -0.35 -0.48 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.92 0.00 0.01 2.61 -1.04 -0.89 -2.62 114.28 108.42 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 0.60 -0.35 -0.00 0.00 -1.82 0.00 0.00 70.33 68.76 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 2.96 6.40 -3.73 -2.82 7.27 -1.26 -3.20 117.38 123.00 2h3k n GLN 109 Ca 0.23 -0.04 -0.17 0.00 0.07 0.00 0.00 57.00 57.09 2h3k n GLN 109 Cb -0.04 -0.54 -0.17 0.00 2.41 0.00 0.00 30.24 31.90 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 -0.94 -0.05 0.01 3.69 2.02 -1.26 0.16 118.70 122.33 2h3k s GLU 110 Ca 0.00 0.28 -0.00 0.00 0.02 0.00 0.00 54.97 55.27 2h3k s GLU 110 Cb 0.00 -0.35 -0.01 0.00 0.10 0.00 0.00 34.13 33.88 2h3k s GLU 110 CO 0.00 -0.23 -0.01 -0.48 0.02 0.00 0.00 175.26 174.56 2h3k s LEU 111 N 1.53 2.09 -0.45 1.80 2.34 -0.90 -4.69 118.68 120.39 2h3k s LEU 111 Ca -0.03 -0.25 -0.22 0.00 0.06 0.00 0.00 54.13 53.68 2h3k s LEU 111 Cb -0.13 0.09 0.03 0.00 -0.56 0.00 0.00 46.19 45.62 2h3k s LEU 111 CO -0.03 -0.17 0.73 -0.54 -1.06 0.00 0.00 176.35 175.28 2h3k s LYS 112 N -0.78 3.35 0.09 1.48 3.01 0.32 -1.78 119.74 125.43 2h3k s LYS 112 Ca -0.09 -0.22 -0.29 0.00 -1.01 0.00 0.00 55.97 54.36 2h3k s LYS 112 Cb -0.05 -3.95 -0.05 0.00 -1.01 0.00 0.00 37.83 32.76 2h3k s LYS 112 CO -0.00 -1.08 0.94 0.42 0.51 0.00 0.00 175.35 176.13 2h3k s ILE 113 N 3.11 4.56 -0.24 2.17 1.09 0.18 -0.33 121.20 131.74 2h3k s ILE 113 Ca 0.27 2.02 0.01 0.00 -1.10 0.00 0.00 60.65 61.85 2h3k s ILE 113 Cb -0.13 -4.30 0.04 0.00 -1.06 0.00 0.00 42.46 37.01 2h3k s ILE 113 CO 0.21 0.31 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.55 2h3k s VAL 114 N 0.09 2.35 0.33 2.92 1.01 -1.17 -2.08 120.40 123.86 2h3k s VAL 114 Ca 0.46 -1.28 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 2h3k s VAL 114 Cb -0.23 -2.23 0.06 0.00 0.00 0.00 0.00 36.38 33.98 2h3k s VAL 114 CO 0.29 0.18 0.84 -0.94 0.00 0.00 0.00 175.10 175.47 2h3k s SER 115 N 1.22 -0.02 -0.30 3.32 1.04 -1.03 0.50 113.70 118.43 2h3k s SER 115 Ca -0.03 -1.00 -0.01 0.00 0.48 0.00 0.00 55.95 55.39 2h3k s SER 115 Cb -0.17 0.77 0.19 0.00 0.10 0.00 0.00 66.02 66.90 2h3k s SER 115 CO -0.07 -1.51 0.61 -0.94 0.98 0.00 0.00 173.24 172.31 2h3k s SER 116 N -3.13 -1.38 0.18 7.02 1.04 -1.26 0.46 113.70 116.63 2h3k s SER 116 Ca 0.16 0.84 -0.12 0.00 0.48 0.00 0.00 55.95 57.31 2h3k s SER 116 Cb -0.05 2.15 -0.07 0.00 0.10 0.00 0.00 66.02 68.15 2h3k s SER 116 CO 0.10 -0.26 0.54 0.42 0.98 0.00 0.00 173.24 175.02 2h3k s THR 117 N 2.86 4.90 -0.45 2.02 -4.23 -0.17 -3.59 115.64 116.99 2h3k s THR 117 Ca 0.20 0.66 0.02 0.00 -1.18 0.00 0.00 61.69 61.39 2h3k s THR 117 Cb -0.15 -3.68 0.14 0.00 1.34 0.00 0.00 72.50 70.15 2h3k s THR 117 CO -0.21 0.11 0.24 -1.10 -0.54 0.00 0.00 174.62 173.12 2h3k s GLN 118 N -2.33 1.37 0.19 3.99 -0.21 0.20 -2.13 119.66 120.74 2h3k s GLN 118 Ca 0.42 -2.08 0.17 0.00 0.02 0.00 0.00 55.36 53.88 2h3k s GLN 118 Cb -0.13 -2.44 0.80 0.00 1.00 0.00 0.00 33.01 32.23 2h3k s GLN 118 CO 0.20 -1.16 1.51 -0.89 -2.12 0.00 0.00 175.29 172.83 2h3k n ILE 119 N 3.48 1.17 -3.33 1.08 -0.00 -1.26 -4.82 119.36 115.67 2h3k n ILE 119 Ca 0.09 0.47 -0.18 0.00 -0.00 0.00 0.00 62.75 63.13 2h3k n ILE 119 Cb 0.34 -1.42 0.07 0.00 -0.00 0.00 0.00 39.64 38.63 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 -1.99 -4.65 0.06 4.38 -0.08 -1.26 -4.88 116.55 108.13 2h3k n ASP 120 Ca 0.01 -0.46 0.00 0.00 -1.51 0.00 0.00 54.79 52.83 2h3k n ASP 120 Cb 0.10 -4.21 0.00 0.00 2.34 0.00 0.00 41.12 39.35 2h3k n ASP 120 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2h3k n ASP 121 N -2.32 -0.03 0.00 1.67 2.03 -1.26 -5.14 116.55 111.50 2h3k n ASP 121 Ca -0.06 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2h3k n ASP 121 Cb 0.57 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 41.12 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 1.65 4.18 3.77 0.27 0.00 -1.26 -5.10 105.19 108.70 2h3k n GLY 122 Ca 0.00 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 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 4.52 4.14 0.00 1.61 0.41 -1.26 -4.97 118.70 123.15 2h3k s GLU 123 Ca 0.00 1.90 -0.30 0.00 -0.41 0.00 0.00 54.97 56.16 2h3k s GLU 123 Cb 0.00 -2.77 -0.04 0.00 -1.78 0.00 0.00 34.13 29.53 2h3k s GLU 123 CO 0.00 -0.27 1.18 -2.00 -0.49 0.00 0.00 175.26 173.69 2h3k s GLU 124 N -2.16 4.41 -0.96 1.61 2.12 -1.26 -4.86 118.70 117.60 2h3k s GLU 124 Ca 0.55 1.70 -0.23 0.00 0.36 0.00 0.00 54.97 57.35 2h3k s GLU 124 Cb -0.32 -3.45 0.06 0.00 0.26 0.00 0.00 34.13 30.68 2h3k s GLU 124 CO 0.41 -0.33 1.37 0.99 -0.54 0.00 0.00 175.26 177.16 2h3k s THR 125 N 1.58 4.03 -0.49 -1.70 2.01 -0.90 -4.96 115.64 115.20 2h3k s THR 125 Ca 0.57 -0.73 -0.19 0.00 0.31 0.00 0.00 61.69 61.64 2h3k s THR 125 Cb -0.27 -4.99 0.05 0.00 0.01 0.00 0.00 72.50 67.30 2h3k s THR 125 CO 0.26 -1.85 0.63 0.21 -0.69 0.00 0.00 174.62 173.18 2h3k s ASN 126 N 4.61 6.24 -1.40 3.53 3.84 -1.26 -0.99 114.94 129.50 2h3k s ASN 126 Ca 0.42 -0.78 -0.13 0.00 0.21 0.00 0.00 52.86 52.58 2h3k s ASN 126 Cb -0.02 -2.30 0.08 0.00 -0.55 0.00 0.00 41.25 38.46 2h3k s ASN 126 CO -0.06 -0.87 2.11 -1.22 -2.79 0.00 0.00 177.10 174.26 2h3k n TYR 127 N 6.22 3.39 -0.04 0.43 4.01 0.17 -4.76 117.16 126.57 2h3k n TYR 127 Ca -0.05 -2.92 -0.08 0.00 -0.16 0.00 0.00 57.90 54.69 2h3k n TYR 127 Cb 0.46 -2.38 -0.02 0.00 -0.31 0.00 0.00 39.34 37.09 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 5.96 -0.44 -3.32 7.72 3.58 -1.88 -2.73 116.42 125.31 2h3k h ASP 128 Ca 0.51 0.10 -0.54 0.00 0.42 0.00 0.00 57.03 57.52 2h3k h ASP 128 Cb 0.64 0.23 -0.40 0.00 1.72 0.00 0.00 39.33 41.53 2h3k h ASP 128 CO 1.80 -0.17 -0.77 -0.47 -2.88 0.00 0.00 179.24 176.75 2h3k s TYR 129 N -6.16 1.37 -0.25 0.28 5.04 -1.26 -4.69 117.35 111.67 2h3k s TYR 129 Ca -0.14 -1.14 -0.01 0.00 -2.44 0.00 0.00 57.07 53.34 2h3k s TYR 129 Cb 0.12 -1.22 0.03 0.00 0.35 0.00 0.00 41.96 41.24 2h3k s TYR 129 CO 0.69 -0.68 -0.07 0.99 -1.34 0.00 0.00 175.55 175.13 2h3k s THR 130 N 1.74 2.71 -0.73 4.34 2.01 -0.88 -4.50 115.64 120.33 2h3k s THR 130 Ca -0.00 -1.16 -0.20 0.00 0.31 0.00 0.00 61.69 60.64 2h3k s THR 130 Cb -0.17 -2.41 0.10 0.00 0.01 0.00 0.00 72.50 70.03 2h3k s THR 130 CO -0.10 0.16 0.93 -0.75 -0.69 0.00 0.00 174.62 174.17 2h3k s LYS 131 N 1.28 3.25 -0.43 4.92 2.20 -0.86 0.51 119.74 130.60 2h3k s LYS 131 Ca -0.01 -1.31 -0.18 0.00 -0.36 0.00 0.00 55.97 54.11 2h3k s LYS 131 Cb -0.17 -4.45 0.03 0.00 -1.51 0.00 0.00 37.83 31.73 2h3k s LYS 131 CO -0.05 -1.71 0.48 -1.17 -0.36 0.00 0.00 175.35 172.54 2h3k s LEU 132 N 3.12 4.86 -0.45 5.43 0.20 -0.73 -2.32 118.68 128.79 2h3k s LEU 132 Ca 0.22 -0.68 -0.16 0.00 0.69 0.00 0.00 54.13 54.20 2h3k s LEU 132 Cb -0.15 -2.43 0.05 0.00 -0.43 0.00 0.00 46.19 43.22 2h3k s LEU 132 CO 0.03 -0.64 0.40 -0.69 -0.29 0.00 0.00 176.35 175.15 2h3k s VAL 133 N 2.25 5.18 1.07 1.68 1.01 -0.56 -2.12 120.40 128.91 2h3k s VAL 133 Ca 0.13 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 2h3k s VAL 133 Cb -0.17 -4.07 0.04 0.00 0.00 0.00 0.00 36.38 32.19 2h3k s VAL 133 CO 0.14 -0.49 -0.18 0.49 0.00 0.00 0.00 175.10 175.06 2h3k n PHE 134 N 5.36 -1.56 0.11 5.22 3.72 0.43 -0.42 117.46 130.31 2h3k n PHE 134 Ca -0.10 0.22 0.02 0.00 -0.05 0.00 0.00 57.45 57.53 2h3k n PHE 134 Cb 0.46 -1.57 -0.01 0.00 -0.94 0.00 0.00 39.48 37.42 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 -1.80 0.65 -2.60 4.37 0.00 0.13 -3.42 119.26 116.59 2h3k h ALA 135 Ca -0.50 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 53.76 2h3k h ALA 135 Cb 1.35 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.01 2h3k h ALA 135 CO 0.35 0.71 -0.34 0.15 0.00 0.00 0.00 179.25 180.11 2h3k s LYS 136 N -2.95 1.07 0.01 0.00 1.02 -1.26 -4.99 119.74 112.65 2h3k s LYS 136 Ca 0.02 -1.13 -0.30 0.00 0.02 0.00 0.00 55.97 54.58 2h3k s LYS 136 Cb 0.08 0.36 -0.05 0.00 -0.52 0.00 0.00 37.83 37.70 2h3k s LYS 136 CO 0.76 -0.38 1.32 -1.25 -0.92 0.00 0.00 175.35 174.89 2h3k s PRO 137 N -3.94 4.33 -0.99 -1.68 0.04 -1.26 -4.71 135.00 126.78 2h3k s PRO 137 Ca 0.14 1.89 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 2h3k s PRO 137 Cb 0.04 -3.49 0.10 0.00 0.04 0.00 0.00 34.50 31.19 2h3k s PRO 137 CO -0.03 -0.48 1.28 0.42 0.04 0.00 0.00 177.00 178.23 2h3k s ILE 138 N 1.98 4.46 0.00 0.56 -1.09 -1.08 -4.92 121.20 121.12 2h3k s ILE 138 Ca 0.61 -1.39 -0.09 0.00 -2.23 0.00 0.00 60.65 57.55 2h3k s ILE 138 Cb -0.30 -4.90 -0.05 0.00 -1.58 0.00 0.00 42.46 35.63 2h3k s ILE 138 CO 0.26 -1.68 0.31 -0.31 -1.23 0.00 0.00 174.94 172.29 2h3k s TYR 139 N 3.43 3.61 0.97 3.97 2.02 -1.26 -3.49 117.35 126.61 2h3k s TYR 139 Ca 0.39 0.70 -0.13 0.00 -0.37 0.00 0.00 57.07 57.66 2h3k s TYR 139 Cb -0.03 -2.08 0.08 0.00 -0.40 0.00 0.00 41.96 39.53 2h3k s TYR 139 CO -0.08 0.62 0.55 -1.71 -1.57 0.00 0.00 175.55 173.35 2h3k n ASN 140 N 1.35 -1.58 -4.04 2.29 5.15 -1.26 -4.83 115.26 112.34 2h3k n ASN 140 Ca -0.12 0.27 -0.34 0.00 -0.60 0.00 0.00 54.58 53.79 2h3k n ASN 140 Cb 0.53 -1.24 -0.11 0.00 -0.53 0.00 0.00 39.78 38.43 2h3k n ASN 140 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2h3k s ASP 141 N -2.15 4.91 0.48 1.20 -1.08 -1.26 -4.90 116.67 113.87 2h3k s ASP 141 Ca 0.59 -2.91 0.31 0.00 -0.52 0.00 0.00 52.55 50.03 2h3k s ASP 141 Cb -0.21 -1.78 1.18 0.00 -1.46 0.00 0.00 42.92 40.66 2h3k s ASP 141 CO 0.65 -0.32 1.90 1.55 0.52 0.00 0.00 175.17 179.47 2h3k h PRO 142 N 6.84 0.00 -0.03 4.34 0.13 -1.93 -3.34 132.00 138.02 2h3k h PRO 142 Ca -0.04 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.94 2h3k h PRO 142 Cb 0.93 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.87 2h3k h PRO 142 CO 0.70 0.00 -0.44 0.43 -0.23 0.00 0.00 178.00 178.46 2h3k n SER 143 N -2.94 -0.67 0.00 1.44 7.64 -1.26 -5.20 113.62 112.62 2h3k n SER 143 Ca 0.01 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.84 2h3k n SER 143 Cb 0.32 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2h3k n SER 143 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92