#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f8h s LEU -4 N 0.00 3.65 0.20 -4.53 1.02 -1.26 -5.12 118.68 112.63 3f8h s LEU -4 Ca 0.00 -0.47 0.08 0.00 0.02 0.00 0.00 54.13 53.76 3f8h s LEU -4 Cb 0.00 -2.37 -0.04 0.00 0.02 0.00 0.00 46.19 43.80 3f8h s LEU -4 CO 0.00 -0.50 -0.02 -0.31 0.02 0.00 0.00 176.35 175.53 3f8h s TYR -3 N -2.32 2.76 0.09 0.29 1.51 -1.26 -5.14 117.35 113.28 3f8h s TYR -3 Ca 0.46 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 56.36 3f8h s TYR -3 Cb -0.07 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 3f8h s TYR -3 CO 0.29 0.54 -0.07 -0.59 -1.11 0.00 0.00 175.55 174.61 3f8h s PHE -2 N -1.85 0.84 -0.17 2.71 -0.12 -1.26 -5.14 117.98 112.99 3f8h s PHE -2 Ca 0.28 -0.86 -0.04 0.00 -0.05 0.00 0.00 56.93 56.26 3f8h s PHE -2 Cb -0.09 -0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 41.79 3f8h s PHE -2 CO 0.18 -0.15 -0.02 -1.14 -0.05 0.00 0.00 175.22 174.04 3f8h s GLN -1 N -3.47 3.69 0.31 1.99 0.74 -1.26 -5.15 119.66 116.51 3f8h s GLN -1 Ca 0.08 -0.50 0.00 0.00 0.05 0.00 0.00 55.36 54.99 3f8h s GLN -1 Cb 0.03 -2.97 -0.04 0.00 1.10 0.00 0.00 33.01 31.13 3f8h s GLN -1 CO -0.04 0.20 0.51 0.20 -0.55 0.00 0.00 175.29 175.61 3f8h s GLY 0 N 0.48 1.44 0.00 2.59 0.00 -1.26 -5.14 107.32 105.44 3f8h s GLY 0 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.80 3f8h s GLY 0 CO 0.02 -0.84 0.00 -2.01 0.00 0.00 0.00 173.10 170.28 3f8h n ASN 2 N -1.50 0.00 -3.12 1.64 2.85 -1.26 -5.03 115.26 108.84 3f8h n ASN 2 Ca -0.05 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.02 3f8h n ASN 2 Cb 0.56 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.61 3f8h n ASN 2 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 3f8h n ASP 3 N 0.19 7.40 -0.35 1.20 5.75 -1.26 -4.75 116.55 124.73 3f8h n ASP 3 Ca 0.00 -3.79 0.07 0.00 -0.01 0.00 0.00 54.79 51.05 3f8h n ASP 3 Cb 0.00 -1.08 0.23 0.00 -1.03 0.00 0.00 41.12 39.24 3f8h n ASP 3 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3f8h h THR 4 N 2.08 0.89 -0.23 2.12 2.02 -1.96 -0.49 112.91 117.35 3f8h h THR 4 Ca 0.55 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 67.33 3f8h h THR 4 Cb 0.13 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.43 3f8h h THR 4 CO 1.35 0.17 -0.19 0.40 0.37 0.00 0.00 175.52 177.61 3f8h h ILE 5 N 0.92 1.32 -0.58 3.11 1.08 -1.94 -0.65 117.51 120.77 3f8h h ILE 5 Ca 0.48 -1.34 -0.00 0.00 -0.39 0.00 0.00 64.86 63.61 3f8h h ILE 5 Cb 0.50 1.67 -0.03 0.00 -3.07 0.00 0.00 36.82 35.89 3f8h h ILE 5 CO -0.28 0.41 0.36 0.00 -0.69 0.00 0.00 178.15 177.96 3f8h h ALA 6 N 0.68 0.74 -0.74 1.87 0.00 -1.87 -1.54 119.26 118.39 3f8h h ALA 6 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3f8h h ALA 6 Cb 0.73 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3f8h h ALA 6 CO 0.05 0.22 0.41 0.00 0.00 0.00 0.00 179.25 179.93 3f8h h ARG 7 N 0.79 1.03 -0.14 0.00 3.08 -0.86 0.44 114.38 118.72 3f8h h ARG 7 Ca 0.21 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3f8h h ARG 7 Cb -0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3f8h h ARG 7 CO -0.04 0.77 0.09 -0.92 -1.07 0.00 0.00 179.97 178.80 3f8h h TYR 8 N 1.03 0.18 -0.05 3.04 3.20 -0.68 0.68 116.97 124.36 3f8h h TYR 8 Ca 0.26 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.96 3f8h h TYR 8 Cb 0.03 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3f8h h TYR 8 CO -0.00 0.12 -0.74 0.74 -1.64 0.00 0.00 178.16 176.63 3f8h h PHE 9 N 0.18 0.41 -0.74 -3.82 0.04 -1.06 -1.99 116.94 109.97 3f8h h PHE 9 Ca 0.05 -0.19 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 3f8h h PHE 9 Cb -0.01 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 3f8h h PHE 9 CO -0.07 0.93 0.37 -0.44 -0.60 0.00 0.00 178.31 178.51 3f8h h ASP 10 N 0.20 0.95 -0.36 2.17 3.32 -0.71 -1.29 116.42 120.70 3f8h h ASP 10 Ca -0.03 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 3f8h h ASP 10 Cb 1.32 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 3f8h h ASP 10 CO 0.12 0.80 0.10 0.00 -1.72 0.00 0.00 179.24 178.54 3f8h h ALA 11 N 1.19 0.47 -0.33 3.45 0.00 -0.70 -1.99 119.26 121.34 3f8h h ALA 11 Ca 0.26 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3f8h h ALA 11 Cb 0.09 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 3f8h h ALA 11 CO -0.04 0.12 -0.20 0.35 0.00 0.00 0.00 179.25 179.49 3f8h h PHE 12 N 0.42 -0.50 -0.16 0.00 3.04 -1.13 0.17 116.94 118.78 3f8h h PHE 12 Ca 0.11 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.09 3f8h h PHE 12 Cb 0.28 0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 3f8h h PHE 12 CO 0.01 -0.28 0.02 -0.91 -2.02 0.00 0.00 178.31 175.14 3f8h h ASN 13 N -0.15 0.20 0.40 0.41 2.35 -1.03 -1.49 115.58 116.27 3f8h h ASN 13 Ca 0.17 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3f8h h ASN 13 Cb 0.42 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3f8h h ASN 13 CO -0.43 0.22 -0.19 0.00 -1.65 0.00 0.00 177.43 175.39 3f8h n ALA 14 N -2.50 2.91 -1.94 -0.83 0.00 -0.63 -4.91 120.51 112.59 3f8h n ALA 14 Ca -0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.05 3f8h n ALA 14 Cb 0.15 -1.26 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 3f8h n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f8h n GLY 15 N 1.34 0.26 3.28 0.00 0.00 -0.29 -4.96 105.19 104.82 3f8h n GLY 15 Ca 0.12 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 3f8h n GLY 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f8h s ASP 16 N -2.68 6.84 0.55 1.61 2.15 0.45 -4.88 116.67 120.71 3f8h s ASP 16 Ca 0.00 -3.40 0.23 0.00 0.43 0.00 0.00 52.55 49.81 3f8h s ASP 16 Cb 0.00 -2.13 1.54 0.00 -0.30 0.00 0.00 42.92 42.03 3f8h s ASP 16 CO 0.00 -0.33 2.20 0.71 -0.17 0.00 0.00 175.17 177.58 3f8h h THR 17 N 4.06 0.77 -0.51 1.71 1.35 -1.93 -1.12 112.91 117.24 3f8h h THR 17 Ca 0.15 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.93 3f8h h THR 17 Cb 0.90 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 68.30 3f8h h THR 17 CO 0.91 0.00 -0.00 0.44 -0.25 0.00 0.00 175.52 176.62 3f8h h ASP 18 N 0.00 0.82 0.00 5.36 3.32 -1.96 0.44 116.42 124.40 3f8h h ASP 18 Ca 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3f8h h ASP 18 Cb 0.01 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3f8h h ASP 18 CO -0.00 0.88 0.00 0.61 -1.72 0.00 0.00 179.24 179.01 3f8h n GLY 19 N -0.59 0.71 1.02 2.75 0.00 -0.42 -1.77 105.19 106.89 3f8h n GLY 19 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3f8h n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f8h n LEU 21 N 0.54 0.00 0.30 0.99 4.77 0.14 -3.33 117.00 120.41 3f8h n LEU 21 Ca 0.00 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.17 3f8h n LEU 21 Cb 0.15 0.00 0.88 0.00 -2.33 0.00 0.00 43.42 42.12 3f8h n LEU 21 CO 0.00 0.00 1.06 0.00 -1.33 0.00 0.00 177.39 177.12 3f8h h ALA 22 N 0.00 1.00 -0.00 -1.18 0.00 -1.59 -2.07 119.26 115.42 3f8h h ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f8h h ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3f8h h ALA 22 CO 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 179.25 179.00 3f8h s LEU 24 N -2.88 3.88 0.63 0.00 1.43 -0.78 -0.74 118.68 120.21 3f8h s LEU 24 Ca 0.16 0.04 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 3f8h s LEU 24 Cb 0.19 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 3f8h s LEU 24 CO 0.59 0.19 1.04 -0.94 0.23 0.00 0.00 176.35 177.46 3f8h s SER 25 N -2.32 5.91 0.55 2.29 1.04 -0.34 -4.80 113.70 116.03 3f8h s SER 25 Ca 0.29 1.58 0.27 0.00 0.48 0.00 0.00 55.95 58.56 3f8h s SER 25 Cb -0.12 -2.49 1.57 0.00 0.10 0.00 0.00 66.02 65.07 3f8h s SER 25 CO 0.22 -1.08 2.15 -0.33 0.98 0.00 0.00 173.24 175.18 3f8h h GLU 26 N -0.16 0.00 -0.50 4.02 4.39 -1.96 -2.06 114.58 118.32 3f8h h GLU 26 Ca -0.45 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.20 3f8h h GLU 26 Cb 1.20 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.82 3f8h h GLU 26 CO 0.59 0.07 0.05 -0.40 -1.16 0.00 0.00 179.01 178.16 3f8h n ASP 27 N -3.84 4.85 -4.63 1.42 5.75 -1.26 -4.12 116.55 114.71 3f8h n ASP 27 Ca -0.02 -3.06 -0.48 0.00 -0.01 0.00 0.00 54.79 51.22 3f8h n ASP 27 Cb 0.16 -0.65 -0.05 0.00 -1.03 0.00 0.00 41.12 39.55 3f8h n ASP 27 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 3f8h n VAL 28 N 0.03 0.21 -3.62 2.12 3.14 -0.77 -4.50 118.33 114.94 3f8h n VAL 28 Ca 0.29 -0.05 -0.40 0.00 -2.96 0.00 0.00 64.34 61.21 3f8h n VAL 28 Cb 1.14 -1.22 -0.11 0.00 -1.06 0.00 0.00 33.84 32.59 3f8h n VAL 28 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3f8h s ALA 29 N 0.53 3.25 -0.47 1.55 0.00 -0.28 0.32 121.76 126.66 3f8h s ALA 29 Ca 0.79 -1.78 -0.17 0.00 0.00 0.00 0.00 51.96 50.80 3f8h s ALA 29 Cb -0.79 -2.56 0.06 0.00 0.00 0.00 0.00 23.12 19.83 3f8h s ALA 29 CO 0.44 -1.42 0.47 -1.58 0.00 0.00 0.00 175.76 173.67 3f8h s HIS 30 N 1.52 3.17 -0.81 0.00 2.46 0.42 -1.82 115.29 120.23 3f8h s HIS 30 Ca 0.01 -0.70 -0.22 0.00 0.47 0.00 0.00 55.06 54.63 3f8h s HIS 30 Cb -0.20 -3.21 0.09 0.00 -0.13 0.00 0.00 32.58 29.13 3f8h s HIS 30 CO 0.06 -0.85 1.11 -1.01 -2.47 0.00 0.00 174.74 171.58 3f8h s HIS 31 N 2.03 2.78 -0.02 3.88 3.76 -0.42 -0.72 115.29 126.59 3f8h s HIS 31 Ca 0.09 -0.86 -0.20 0.00 -0.15 0.00 0.00 55.06 53.94 3f8h s HIS 31 Cb -0.21 -4.37 -0.28 0.00 1.11 0.00 0.00 32.58 28.83 3f8h s HIS 31 CO 0.10 -1.66 0.99 0.28 -0.85 0.00 0.00 174.74 173.60 3f8h h VAL 32 N 6.04 1.46 -2.45 -0.90 2.07 -1.74 -3.40 116.25 117.33 3f8h h VAL 32 Ca -0.06 -2.35 0.16 0.00 0.82 0.00 0.00 66.70 65.27 3f8h h VAL 32 Cb 1.04 2.92 -0.07 0.00 -1.52 0.00 0.00 31.29 33.67 3f8h h VAL 32 CO 1.20 0.68 0.48 0.54 0.02 0.00 0.00 177.57 180.48 3f8h s ASN 33 N -6.92 -0.14 0.26 0.57 2.20 -1.00 -4.99 114.94 104.92 3f8h s ASN 33 Ca -0.13 -0.51 -0.01 0.00 -0.94 0.00 0.00 52.86 51.27 3f8h s ASN 33 Cb 0.02 0.53 0.53 0.00 -2.00 0.00 0.00 41.25 40.33 3f8h s ASN 33 CO 0.84 -0.99 1.76 -0.33 -2.94 0.00 0.00 177.10 175.44 3f8h h GLU 34 N 2.00 0.61 -0.00 3.55 5.08 -2.00 0.28 114.58 124.10 3f8h h GLU 34 Ca -0.25 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3f8h h GLU 34 Cb 1.23 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3f8h h GLU 34 CO 0.28 0.40 -0.03 0.41 -1.00 0.00 0.00 179.01 179.08 3f8h n GLY 35 N -1.32 -0.78 2.62 -3.84 0.00 -1.26 -4.56 105.19 96.05 3f8h n GLY 35 Ca 0.17 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 3f8h n GLY 35 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3f8h s ASN 36 N -2.15 1.31 -0.26 1.61 2.47 0.99 -5.09 114.94 113.82 3f8h s ASN 36 Ca 0.40 -2.05 -0.04 0.00 0.42 0.00 0.00 52.86 51.59 3f8h s ASN 36 Cb 0.21 0.29 0.01 0.00 -1.45 0.00 0.00 41.25 40.31 3f8h s ASN 36 CO 0.39 -0.23 -0.01 -0.63 -3.72 0.00 0.00 177.10 172.91 3f8h s ILE 37 N 1.00 3.33 -0.25 -5.21 1.01 -1.24 -2.19 121.20 117.65 3f8h s ILE 37 Ca 0.22 -0.81 -0.13 0.00 0.00 0.00 0.00 60.65 59.92 3f8h s ILE 37 Cb -0.11 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3f8h s ILE 37 CO -0.06 0.20 0.30 -0.13 0.00 0.00 0.00 174.94 175.25 3f8h s ARG 38 N 1.41 4.04 -0.15 2.79 0.52 0.11 -4.88 118.95 122.79 3f8h s ARG 38 Ca 0.02 -0.06 -0.04 0.00 -0.52 0.00 0.00 55.73 55.13 3f8h s ARG 38 Cb -0.16 -3.61 -0.03 0.00 0.52 0.00 0.00 34.95 31.67 3f8h s ARG 38 CO -0.02 -0.15 -0.04 0.08 0.02 0.00 0.00 175.30 175.20 3f8h s VAL 39 N 1.66 3.90 0.00 3.52 1.01 -1.26 -0.43 120.40 128.80 3f8h s VAL 39 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3f8h s VAL 39 Cb -0.15 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3f8h s VAL 39 CO 0.09 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3f8h n GLY 40 N 3.48 1.95 0.10 4.51 0.00 0.15 -4.58 105.19 110.80 3f8h n GLY 40 Ca -0.17 -1.98 -0.04 0.00 0.00 0.00 0.00 46.02 43.83 3f8h n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f8h h LYS 41 N 0.00 0.00 -0.30 1.61 1.57 -1.82 -2.61 116.57 115.02 3f8h h LYS 41 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3f8h h LYS 41 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3f8h h LYS 41 CO 0.00 0.78 0.14 0.93 -0.57 0.00 0.00 179.45 180.73 3f8h h GLU 42 N 0.00 0.44 -0.76 3.15 5.08 -1.94 -0.30 114.58 120.25 3f8h h GLU 42 Ca -0.01 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3f8h h GLU 42 Cb 1.40 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 3f8h h GLU 42 CO 0.10 0.42 0.28 0.87 -1.00 0.00 0.00 179.01 179.69 3f8h h LYS 43 N 0.35 1.16 -0.48 2.33 1.79 -1.80 -2.16 116.57 117.76 3f8h h LYS 43 Ca 0.10 -0.22 -0.10 0.00 -2.18 0.00 0.00 60.65 58.24 3f8h h LYS 43 Cb 0.13 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 3f8h h LYS 43 CO -0.01 0.96 -0.10 0.35 -1.08 0.00 0.00 179.45 179.56 3f8h h PHE 44 N 1.11 1.04 -0.74 -1.35 3.04 -1.20 -0.60 116.94 118.24 3f8h h PHE 44 Ca 0.25 -0.22 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 3f8h h PHE 44 Cb 0.25 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.47 3f8h h PHE 44 CO 0.02 1.00 0.37 0.00 -2.02 0.00 0.00 178.31 177.68 3f8h h ALA 45 N 0.89 0.95 -0.73 2.41 0.00 -0.92 0.05 119.26 121.92 3f8h h ALA 45 Ca 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3f8h h ALA 45 Cb 0.66 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3f8h h ALA 45 CO 0.05 0.50 0.25 0.00 0.00 0.00 0.00 179.25 180.04 3f8h h ALA 46 N 1.19 1.07 -0.55 0.00 0.00 -1.10 -1.34 119.26 118.51 3f8h h ALA 46 Ca 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3f8h h ALA 46 Cb 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3f8h h ALA 46 CO -0.04 0.64 0.22 0.35 0.00 0.00 0.00 179.25 180.43 3f8h h PHE 47 N 1.07 0.84 -0.59 0.00 3.57 -0.57 -1.07 116.94 120.20 3f8h h PHE 47 Ca 0.24 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 3f8h h PHE 47 Cb 0.27 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3f8h h PHE 47 CO 0.02 0.68 0.13 0.00 -2.23 0.00 0.00 178.31 176.92 3f8h h ALA 49 N 1.27 1.04 0.00 0.00 0.00 -0.84 0.54 119.26 121.26 3f8h h ALA 49 Ca 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3f8h h ALA 49 Cb 0.33 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3f8h h ALA 49 CO 0.00 0.67 0.00 1.58 0.00 0.00 0.00 179.25 181.50 3f8h n HIS 50 N -4.27 0.00 0.00 0.00 -0.00 -0.44 -1.79 115.22 108.71 3f8h n HIS 50 Ca 0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 3f8h n HIS 50 Cb 0.19 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.14 3f8h n HIS 50 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3f8h n SER 52 N 0.55 0.00 0.08 0.26 2.88 0.18 -2.11 113.62 115.46 3f8h n SER 52 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 3f8h n SER 52 Cb 0.04 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.37 3f8h n SER 52 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 3f8h h HIS 53 N 0.00 0.87 0.01 0.66 6.17 -1.61 -3.38 115.15 117.88 3f8h h HIS 53 Ca 0.00 -0.56 -0.28 0.00 0.71 0.00 0.00 60.37 60.24 3f8h h HIS 53 Cb 0.00 -0.07 -0.04 0.00 2.52 0.00 0.00 27.41 29.82 3f8h h HIS 53 CO 0.00 1.41 -1.59 0.00 0.71 0.00 0.00 177.93 178.46 3f8h s TYR 55 N -2.62 0.29 -0.16 0.00 2.02 -1.26 -0.05 117.35 115.57 3f8h s TYR 55 Ca -0.04 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 3f8h s TYR 55 Cb 0.08 -0.20 0.02 0.00 -0.40 0.00 0.00 41.96 41.47 3f8h s TYR 55 CO 0.82 -0.15 -0.16 0.21 -1.57 0.00 0.00 175.55 174.71 3f8h s LYS 56 N -1.25 2.49 0.03 -0.62 2.47 -0.86 -4.44 119.74 117.57 3f8h s LYS 56 Ca -0.13 -0.63 0.01 0.00 -1.56 0.00 0.00 55.97 53.66 3f8h s LYS 56 Cb -0.08 -2.23 -0.02 0.00 -1.46 0.00 0.00 37.83 34.03 3f8h s LYS 56 CO -0.01 -0.23 -0.06 -1.21 0.16 0.00 0.00 175.35 174.01 3f8h s GLU 57 N 1.43 0.44 0.00 4.03 2.02 -1.26 -1.33 118.70 124.03 3f8h s GLU 57 Ca 0.05 -0.71 0.05 0.00 0.02 0.00 0.00 54.97 54.39 3f8h s GLU 57 Cb -0.13 -0.11 -0.02 0.00 0.10 0.00 0.00 34.13 33.98 3f8h s GLU 57 CO -0.11 0.00 -0.17 -1.21 0.02 0.00 0.00 175.26 173.79 3f8h s GLU 58 N -1.59 1.29 -0.16 1.61 0.41 0.68 -4.82 118.70 116.13 3f8h s GLU 58 Ca -0.12 -0.68 -0.05 0.00 -0.41 0.00 0.00 54.97 53.71 3f8h s GLU 58 Cb -0.10 -1.28 -0.04 0.00 -1.78 0.00 0.00 34.13 30.94 3f8h s GLU 58 CO -0.00 0.34 0.02 -0.51 -0.49 0.00 0.00 175.26 174.62 3f8h s LEU 59 N -0.64 3.60 0.30 1.80 1.43 -1.26 -1.30 118.68 122.61 3f8h s LEU 59 Ca 0.06 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 3f8h s LEU 59 Cb -0.07 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 3f8h s LEU 59 CO 0.00 0.20 0.09 0.42 0.23 0.00 0.00 176.35 177.29 3f8h s THR 60 N 0.19 0.76 0.24 5.49 -4.23 -0.12 -4.96 115.64 113.01 3f8h s THR 60 Ca 0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3f8h s THR 60 Cb -0.13 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.06 3f8h s THR 60 CO 0.01 0.00 0.00 0.47 -0.54 0.00 0.00 174.62 174.56 3f8h n ASP 61 N -0.68 -7.25 0.00 3.99 8.00 -1.26 -0.73 116.55 118.62 3f8h n ASP 61 Ca -0.01 1.32 0.00 0.00 0.71 0.00 0.00 54.79 56.81 3f8h n ASP 61 Cb 0.66 -4.38 0.00 0.00 -0.02 0.00 0.00 41.12 37.38 3f8h n ASP 61 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3f8h n VAL 63 N 1.17 0.00 -4.68 2.53 0.31 0.14 -4.34 118.33 113.47 3f8h n VAL 63 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 3f8h n VAL 63 Cb 0.00 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 3f8h n VAL 63 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3f8h s ILE 64 N 0.00 3.39 0.16 2.52 1.01 -1.26 -1.33 121.20 125.69 3f8h s ILE 64 Ca 0.00 -0.56 0.09 0.00 0.00 0.00 0.00 60.65 60.18 3f8h s ILE 64 Cb 0.00 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 3f8h s ILE 64 CO 0.00 0.55 -0.14 -0.36 0.00 0.00 0.00 174.94 174.99 3f8h s PHE 65 N -0.11 2.57 0.19 3.97 0.40 0.38 -5.00 117.98 120.38 3f8h s PHE 65 Ca -0.00 -0.24 -0.03 0.00 -0.60 0.00 0.00 56.93 56.06 3f8h s PHE 65 Cb -0.13 -1.30 -0.03 0.00 0.51 0.00 0.00 43.02 42.07 3f8h s PHE 65 CO 0.03 0.47 0.16 0.00 0.70 0.00 0.00 175.22 176.58 3f8h s ALA 66 N -1.51 0.87 0.13 5.36 0.00 -1.26 -2.20 121.76 123.16 3f8h s ALA 66 Ca 0.22 -1.51 0.08 0.00 0.00 0.00 0.00 51.96 50.76 3f8h s ALA 66 Cb -0.09 1.21 -0.04 0.00 0.00 0.00 0.00 23.12 24.19 3f8h s ALA 66 CO 0.13 -0.60 -0.13 0.95 0.00 0.00 0.00 175.76 176.11 3f8h s THR 67 N -4.11 3.11 0.58 0.00 -4.23 -1.09 -4.98 115.64 104.92 3f8h s THR 67 Ca 0.33 -1.47 0.28 0.00 -1.18 0.00 0.00 61.69 59.64 3f8h s THR 67 Cb 0.06 -2.47 0.35 0.00 1.34 0.00 0.00 72.50 71.77 3f8h s THR 67 CO 0.09 0.04 2.21 -0.65 -0.54 0.00 0.00 174.62 175.77 3f8h h PRO 68 N 3.45 0.00 -0.01 3.99 0.11 -2.01 -0.86 132.00 136.67 3f8h h PRO 68 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3f8h h PRO 68 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3f8h h PRO 68 CO 0.50 0.00 -0.12 -0.40 -0.21 0.00 0.00 178.00 177.78 3f8h n ASP 69 N -3.94 1.05 -1.00 -2.05 5.68 -1.26 -4.93 116.55 110.10 3f8h n ASP 69 Ca -0.02 -1.08 -0.13 0.00 -0.50 0.00 0.00 54.79 53.06 3f8h n ASP 69 Cb 0.14 0.04 -0.06 0.00 -1.14 0.00 0.00 41.12 40.10 3f8h n ASP 69 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3f8h n ALA 70 N -0.41 -0.20 0.99 2.12 0.00 -0.33 -4.87 120.51 117.81 3f8h n ALA 70 Ca 0.16 0.21 0.11 0.00 0.00 0.00 0.00 53.44 53.92 3f8h n ALA 70 Cb 0.32 -1.54 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 3f8h n ALA 70 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3f8h n THR 71 N -2.54 0.00 -3.91 0.00 -2.24 -1.26 -4.64 114.28 99.70 3f8h n THR 71 Ca -0.13 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 3f8h n THR 71 Cb 0.47 1.25 -0.12 0.00 -2.10 0.00 0.00 70.33 69.84 3f8h n THR 71 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3f8h s ARG 72 N -2.46 0.25 0.15 -0.78 1.81 -1.26 -1.07 118.95 115.58 3f8h s ARG 72 Ca 0.18 -0.31 -0.14 0.00 -1.72 0.00 0.00 55.73 53.74 3f8h s ARG 72 Cb 0.18 0.10 0.02 0.00 -0.45 0.00 0.00 34.95 34.80 3f8h s ARG 72 CO 0.57 -0.05 0.39 0.00 -0.68 0.00 0.00 175.30 175.54 3f8h s ALA 73 N -0.88 -0.69 0.02 2.13 0.00 -0.66 -2.68 121.76 119.00 3f8h s ALA 73 Ca -0.10 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.50 3f8h s ALA 73 Cb -0.06 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 3f8h s ALA 73 CO -0.00 -0.68 0.10 0.00 0.00 0.00 0.00 175.76 175.18 3f8h s ALA 74 N -3.86 -0.15 -0.08 0.00 0.00 -0.93 -0.63 121.76 116.10 3f8h s ALA 74 Ca 0.07 -0.38 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 3f8h s ALA 74 Cb 0.02 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.34 3f8h s ALA 74 CO -0.07 -0.25 0.22 0.00 0.00 0.00 0.00 175.76 175.65 3f8h s ALA 75 N -1.94 -0.53 -0.04 0.00 0.00 0.19 -0.47 121.76 118.98 3f8h s ALA 75 Ca -0.11 0.65 0.06 0.00 0.00 0.00 0.00 51.96 52.56 3f8h s ALA 75 Cb -0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 3f8h s ALA 75 CO -0.01 -0.11 -0.23 -2.00 0.00 0.00 0.00 175.76 173.40 3f8h s GLU 76 N 0.26 2.12 0.28 0.00 2.12 -0.44 -0.74 118.70 122.29 3f8h s GLU 76 Ca -0.01 -0.82 -0.20 0.00 0.36 0.00 0.00 54.97 54.30 3f8h s GLU 76 Cb -0.03 -1.90 0.05 0.00 0.26 0.00 0.00 34.13 32.51 3f8h s GLU 76 CO -0.01 0.41 0.85 1.52 -0.54 0.00 0.00 175.26 177.50 3f8h s TYR 77 N -0.30 -0.02 -0.20 5.30 1.13 -0.62 -0.68 117.35 121.96 3f8h s TYR 77 Ca 0.02 -0.48 -0.04 0.00 -1.41 0.00 0.00 57.07 55.15 3f8h s TYR 77 Cb -0.11 0.74 -0.02 0.00 -1.10 0.00 0.00 41.96 41.47 3f8h s TYR 77 CO 0.01 -1.23 -0.02 0.99 -2.51 0.00 0.00 175.55 172.80 3f8h s THR 78 N -2.88 3.72 -0.25 -3.49 2.01 0.09 -1.07 115.64 113.77 3f8h s THR 78 Ca 0.15 -0.39 -0.14 0.00 0.31 0.00 0.00 61.69 61.62 3f8h s THR 78 Cb -0.04 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 3f8h s THR 78 CO 0.07 0.43 0.32 -0.69 -0.69 0.00 0.00 174.62 174.07 3f8h s VAL 79 N 1.11 5.23 -0.19 3.82 1.01 0.86 -0.95 120.40 131.28 3f8h s VAL 79 Ca 0.02 0.50 -0.00 0.00 0.00 0.00 0.00 61.98 62.49 3f8h s VAL 79 Cb -0.14 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.59 3f8h s VAL 79 CO 0.01 0.22 -0.15 0.20 0.00 0.00 0.00 175.10 175.38 3f8h s ASN 80 N 1.41 3.52 0.35 3.32 0.01 -0.42 -0.33 114.94 122.80 3f8h s ASN 80 Ca 0.14 -0.56 -0.04 0.00 -0.71 0.00 0.00 52.86 51.69 3f8h s ASN 80 Cb -0.15 -1.56 0.02 0.00 0.41 0.00 0.00 41.25 39.96 3f8h s ASN 80 CO 0.09 0.00 0.51 0.61 -1.51 0.00 0.00 177.10 176.80 3f8h n GLY 81 N 4.62 1.97 2.99 0.66 0.00 -0.35 -0.23 105.19 114.86 3f8h n GLY 81 Ca -0.20 -1.56 -0.22 0.00 0.00 0.00 0.00 46.02 44.05 3f8h n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f8h s THR 82 N -2.71 0.87 -0.57 2.61 2.01 -0.44 -0.95 115.64 116.47 3f8h s THR 82 Ca 0.26 -0.36 -0.22 0.00 0.31 0.00 0.00 61.69 61.69 3f8h s THR 82 Cb -0.01 -0.81 0.06 0.00 0.01 0.00 0.00 72.50 71.75 3f8h s THR 82 CO 0.19 0.29 0.82 -0.47 -0.69 0.00 0.00 174.62 174.75 3f8h s TYR 83 N 0.52 2.87 -0.10 4.92 5.04 0.38 -2.02 117.35 128.96 3f8h s TYR 83 Ca -0.09 -0.41 -0.16 0.00 -2.44 0.00 0.00 57.07 53.96 3f8h s TYR 83 Cb -0.13 -3.94 -0.28 0.00 0.35 0.00 0.00 41.96 37.96 3f8h s TYR 83 CO 0.02 -1.31 0.58 -0.07 -1.34 0.00 0.00 175.55 173.42 3f8h h LEU 84 N 10.54 0.39 -7.60 6.97 3.38 -0.76 -0.13 115.31 128.11 3f8h h LEU 84 Ca -0.28 -0.86 -0.15 0.00 0.09 0.00 0.00 57.88 56.69 3f8h h LEU 84 Cb 1.08 -0.13 -0.22 0.00 0.09 0.00 0.00 40.66 41.48 3f8h h LEU 84 CO 1.07 1.61 -0.43 0.00 0.09 0.00 0.00 178.44 180.78 3f8h s ALA 85 N -2.48 -0.52 0.20 1.53 0.00 -0.84 -4.73 121.76 114.93 3f8h s ALA 85 Ca -0.19 0.26 -0.32 0.00 0.00 0.00 0.00 51.96 51.71 3f8h s ALA 85 Cb 0.04 -0.08 -0.12 0.00 0.00 0.00 0.00 23.12 22.96 3f8h s ALA 85 CO 0.77 -0.18 1.68 0.99 0.00 0.00 0.00 175.76 179.02 3f8h s THR 86 N -0.80 2.15 -0.28 0.00 2.01 -1.26 -4.47 115.64 112.99 3f8h s THR 86 Ca -0.09 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 61.91 3f8h s THR 86 Cb -0.05 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 3f8h s THR 86 CO 0.02 0.01 0.17 -0.62 -0.69 0.00 0.00 174.62 173.51 3f8h s ASP 87 N 1.13 5.88 -0.46 3.53 -1.08 -1.26 -4.96 116.67 119.44 3f8h s ASP 87 Ca 0.73 -0.08 -0.42 0.00 -0.52 0.00 0.00 52.55 52.26 3f8h s ASP 87 Cb -0.48 -2.09 -0.18 0.00 -1.46 0.00 0.00 42.92 38.71 3f8h s ASP 87 CO 0.33 -0.06 1.69 -1.84 0.52 0.00 0.00 175.17 175.81 3f8h n GLU 88 N 5.04 0.00 -0.03 4.34 0.28 -1.26 -0.07 120.64 128.94 3f8h n GLU 88 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 3f8h n GLU 88 Cb 0.52 -1.38 0.00 0.00 1.43 0.00 0.00 31.44 32.01 3f8h n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3f8h n GLY 89 N 5.12 0.69 3.98 -1.84 0.00 -1.26 -5.05 105.19 106.83 3f8h n GLY 89 Ca 0.38 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.22 3f8h n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f8h s LEU 90 N 0.00 3.69 1.16 0.99 1.43 0.90 -5.09 118.68 121.77 3f8h s LEU 90 Ca 0.00 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.54 3f8h s LEU 90 Cb 0.00 -2.58 0.27 0.00 0.03 0.00 0.00 46.19 43.91 3f8h s LEU 90 CO 0.00 -0.65 1.04 -2.84 0.23 0.00 0.00 176.35 174.13 3f8h s PRO 91 N -4.26 -0.91 0.19 1.29 0.02 -1.26 -4.72 135.00 125.34 3f8h s PRO 91 Ca 0.51 0.49 -0.31 0.00 0.02 0.00 0.00 61.00 61.71 3f8h s PRO 91 Cb -0.09 -1.58 -0.09 0.00 0.02 0.00 0.00 34.50 32.76 3f8h s PRO 91 CO 0.32 -3.63 1.41 -2.00 -0.33 0.00 0.00 177.00 172.77 3f8h s GLU 92 N -4.83 4.31 0.13 5.54 2.12 -1.26 -4.51 118.70 120.20 3f8h s GLU 92 Ca 0.68 2.19 -0.30 0.00 0.36 0.00 0.00 54.97 57.89 3f8h s GLU 92 Cb -0.19 -3.18 -0.07 0.00 0.26 0.00 0.00 34.13 30.95 3f8h s GLU 92 CO 0.60 -0.41 1.13 0.00 -0.54 0.00 0.00 175.26 176.05 3f8h s ALA 93 N 0.50 3.37 0.00 6.30 0.00 -1.26 -4.90 121.76 125.76 3f8h s ALA 93 Ca 0.62 0.82 0.14 0.00 0.00 0.00 0.00 51.96 53.53 3f8h s ALA 93 Cb -0.39 -3.39 0.23 0.00 0.00 0.00 0.00 23.12 19.57 3f8h s ALA 93 CO 0.36 -0.30 1.06 0.54 0.00 0.00 0.00 175.76 177.42 3f8h n ARG 94 N 3.03 0.00 -2.49 0.00 1.74 -1.24 -4.80 116.66 112.89 3f8h n ARG 94 Ca 0.05 -1.46 -0.15 0.00 -0.77 0.00 0.00 57.85 55.52 3f8h n ARG 94 Cb 0.46 -0.07 0.01 0.00 -1.02 0.00 0.00 32.46 31.84 3f8h n ARG 94 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3f8h n GLN 95 N 0.26 -2.11 -2.15 5.56 1.13 -0.06 -4.97 117.38 115.03 3f8h n GLN 95 Ca -0.00 0.69 -0.40 0.00 -1.94 0.00 0.00 57.00 55.35 3f8h n GLN 95 Cb 0.92 -5.02 -0.02 0.00 0.11 0.00 0.00 30.24 26.23 3f8h n GLN 95 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3f8h s GLN 96 N -4.99 4.35 0.25 -1.09 1.11 -1.23 -4.62 119.66 113.44 3f8h s GLN 96 Ca 0.09 2.16 -0.07 0.00 0.01 0.00 0.00 55.36 57.55 3f8h s GLN 96 Cb -0.04 -3.05 -0.06 0.00 -1.01 0.00 0.00 33.01 28.85 3f8h s GLN 96 CO 0.11 -0.17 0.53 -1.54 0.01 0.00 0.00 175.29 174.23 3f8h s SER 97 N -0.56 6.53 0.07 5.90 1.04 -1.26 -0.47 113.70 124.96 3f8h s SER 97 Ca 0.49 0.80 -0.13 0.00 0.48 0.00 0.00 55.95 57.60 3f8h s SER 97 Cb -0.39 -2.18 0.02 0.00 0.10 0.00 0.00 66.02 63.57 3f8h s SER 97 CO 0.51 -0.12 0.29 -0.72 0.98 0.00 0.00 173.24 174.18 3f8h s TYR 98 N -1.92 -0.04 -0.09 5.02 1.13 -0.12 -4.75 117.35 116.57 3f8h s TYR 98 Ca 0.45 -0.22 -0.04 0.00 -1.41 0.00 0.00 57.07 55.85 3f8h s TYR 98 Cb -0.11 0.08 0.05 0.00 -1.10 0.00 0.00 41.96 40.88 3f8h s TYR 98 CO 0.25 -0.55 0.19 0.21 -2.51 0.00 0.00 175.55 173.14 3f8h s LYS 99 N -3.19 0.09 -0.04 -3.49 2.20 -1.26 -1.21 119.74 112.85 3f8h s LYS 99 Ca -0.00 0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 55.86 3f8h s LYS 99 Cb 0.01 -0.18 0.08 0.00 -1.51 0.00 0.00 37.83 36.23 3f8h s LYS 99 CO -0.07 -0.25 0.71 -0.48 -0.36 0.00 0.00 175.35 174.89 3f8h s LEU 100 N 1.92 -0.61 0.62 5.43 2.34 0.56 -4.98 118.68 123.95 3f8h s LEU 100 Ca -0.02 0.59 -0.16 0.00 0.06 0.00 0.00 54.13 54.61 3f8h s LEU 100 Cb -0.12 2.47 -0.02 0.00 -0.56 0.00 0.00 46.19 47.96 3f8h s LEU 100 CO -0.07 -0.62 1.08 -2.84 -1.06 0.00 0.00 176.35 172.84 3f8h s PRO 101 N -1.51 3.11 0.15 1.48 0.02 -1.26 -0.10 135.00 136.90 3f8h s PRO 101 Ca -0.08 1.31 -0.15 0.00 0.02 0.00 0.00 61.00 62.09 3f8h s PRO 101 Cb -0.00 -2.00 0.03 0.00 0.02 0.00 0.00 34.50 32.55 3f8h s PRO 101 CO 0.06 -0.99 0.42 0.00 -0.33 0.00 0.00 177.00 176.16 3f8h s ALA 102 N -2.36 -0.80 -0.02 -1.55 0.00 -0.23 -4.45 121.76 112.35 3f8h s ALA 102 Ca 0.66 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.36 3f8h s ALA 102 Cb -0.18 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.70 3f8h s ALA 102 CO 0.38 -0.70 0.07 0.20 0.00 0.00 0.00 175.76 175.71 3f8h s GLY 103 N -2.85 -0.00 0.04 0.00 0.00 -0.30 -1.58 107.32 102.63 3f8h s GLY 103 Ca 0.07 0.05 0.05 0.00 0.00 0.00 0.00 44.72 44.90 3f8h s GLY 103 CO -0.07 0.00 -0.15 -0.56 0.00 0.00 0.00 173.10 172.31 3f8h s SER 104 N -0.38 1.83 0.02 1.64 0.01 0.08 0.75 113.70 117.65 3f8h s SER 104 Ca -0.04 -0.48 0.07 0.00 1.31 0.00 0.00 55.95 56.80 3f8h s SER 104 Cb -0.03 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 3f8h s SER 104 CO 0.00 0.05 -0.21 -0.36 0.41 0.00 0.00 173.24 173.13 3f8h s PHE 105 N -0.87 1.86 0.04 2.43 0.08 0.11 -0.63 117.98 120.99 3f8h s PHE 105 Ca 0.03 -0.37 0.02 0.00 0.12 0.00 0.00 56.93 56.73 3f8h s PHE 105 Cb -0.08 -1.14 -0.02 0.00 -0.57 0.00 0.00 43.02 41.20 3f8h s PHE 105 CO 0.01 0.05 -0.07 -0.06 -0.10 0.00 0.00 175.22 175.05 3f8h s PHE 106 N -0.68 0.61 0.07 0.36 0.40 0.19 -1.11 117.98 117.82 3f8h s PHE 106 Ca 0.08 -0.50 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 3f8h s PHE 106 Cb -0.09 -0.37 -0.04 0.00 0.51 0.00 0.00 43.02 43.04 3f8h s PHE 106 CO 0.01 -0.10 -0.07 -0.51 0.70 0.00 0.00 175.22 175.25 3f8h s ASP 107 N -1.53 4.59 0.02 1.36 1.01 -0.73 -1.65 116.67 119.75 3f8h s ASP 107 Ca -0.11 -0.27 0.01 0.00 0.71 0.00 0.00 52.55 52.90 3f8h s ASP 107 Cb -0.10 -0.98 -0.02 0.00 1.01 0.00 0.00 42.92 42.83 3f8h s ASP 107 CO 0.00 0.21 -0.05 -0.76 0.21 0.00 0.00 175.17 174.78 3f8h s LEU 108 N -1.99 2.19 -0.04 1.23 1.02 -0.24 -0.50 118.68 120.36 3f8h s LEU 108 Ca 0.21 -0.42 -0.01 0.00 0.02 0.00 0.00 54.13 53.93 3f8h s LEU 108 Cb -0.11 -0.08 0.03 0.00 0.02 0.00 0.00 46.19 46.05 3f8h s LEU 108 CO 0.13 -0.18 0.09 -0.60 0.02 0.00 0.00 176.35 175.81 3f8h s ARG 109 N -1.19 0.03 -1.30 1.70 3.52 -0.08 -4.44 118.95 117.18 3f8h s ARG 109 Ca -0.09 0.28 -0.03 0.00 -0.13 0.00 0.00 55.73 55.76 3f8h s ARG 109 Cb -0.08 -0.21 0.02 0.00 -1.56 0.00 0.00 34.95 33.12 3f8h s ARG 109 CO -0.00 -0.17 0.21 -0.25 -0.81 0.00 0.00 175.30 174.29 3f8h n ASP 110 N 4.18 -4.53 0.00 -2.12 8.00 -1.26 -1.31 116.55 119.51 3f8h n ASP 110 Ca -0.27 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.18 3f8h n ASP 110 Cb 0.51 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.83 3f8h n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f8h n GLY 111 N -1.04 0.79 3.50 0.44 0.00 -1.26 -5.03 105.19 102.58 3f8h n GLY 111 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 3f8h n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f8h s LEU 112 N 0.00 2.76 -0.10 0.99 1.43 -0.43 -4.77 118.68 118.56 3f8h s LEU 112 Ca 0.00 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 3f8h s LEU 112 Cb 0.00 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3f8h s LEU 112 CO 0.00 0.26 1.45 -0.63 0.23 0.00 0.00 176.35 177.66 3f8h s ILE 113 N -0.95 3.93 -0.53 -0.59 1.01 0.08 -0.91 121.20 123.24 3f8h s ILE 113 Ca 0.15 1.13 0.14 0.00 0.00 0.00 0.00 60.65 62.08 3f8h s ILE 113 Cb -0.11 -3.73 -0.17 0.00 0.01 0.00 0.00 42.46 38.46 3f8h s ILE 113 CO 0.06 -0.09 0.54 0.35 0.00 0.00 0.00 174.94 175.80 3f8h n THR 114 N 5.37 0.00 -3.69 2.92 -2.24 0.35 -1.20 114.28 115.79 3f8h n THR 114 Ca 0.15 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.59 3f8h n THR 114 Cb 0.44 0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 69.40 3f8h n THR 114 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3f8h s ARG 115 N -2.48 0.65 -0.05 -0.78 3.52 -1.14 -1.12 118.95 117.54 3f8h s ARG 115 Ca 0.03 0.54 -0.02 0.00 -0.13 0.00 0.00 55.73 56.16 3f8h s ARG 115 Cb 0.10 0.31 0.04 0.00 -1.56 0.00 0.00 34.95 33.84 3f8h s ARG 115 CO 0.59 -0.11 0.10 0.54 -0.81 0.00 0.00 175.30 175.61 3f8h s VAL 116 N -0.08 -0.08 -0.03 7.11 0.11 -0.76 -1.77 120.40 124.91 3f8h s VAL 116 Ca -0.03 0.23 0.03 0.00 -2.93 0.00 0.00 61.98 59.28 3f8h s VAL 116 Cb -0.03 -0.18 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 3f8h s VAL 116 CO 0.02 0.09 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.90 3f8h s THR 117 N 1.32 0.83 -0.04 5.04 2.01 -0.27 -1.30 115.64 123.24 3f8h s THR 117 Ca -0.07 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.58 3f8h s THR 117 Cb -0.12 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.65 3f8h s THR 117 CO -0.05 0.26 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.13 3f8h s THR 118 N 0.20 1.05 0.13 -0.82 2.01 -1.26 -0.71 115.64 116.23 3f8h s THR 118 Ca -0.03 -0.49 0.09 0.00 0.31 0.00 0.00 61.69 61.56 3f8h s THR 118 Cb -0.09 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 3f8h s THR 118 CO 0.01 0.32 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.74 3f8h s TYR 119 N 0.22 1.85 0.06 4.92 2.02 0.23 -5.00 117.35 121.65 3f8h s TYR 119 Ca -0.05 -0.43 -0.27 0.00 -0.37 0.00 0.00 57.07 55.95 3f8h s TYR 119 Cb -0.11 -0.98 0.09 0.00 -0.40 0.00 0.00 41.96 40.56 3f8h s TYR 119 CO 0.01 0.27 0.92 1.52 -1.57 0.00 0.00 175.55 176.70 3f8h s TYR 120 N -1.47 -0.25 -0.84 2.71 -0.85 -1.26 -1.15 117.35 114.23 3f8h s TYR 120 Ca 0.10 0.05 -0.25 0.00 -0.52 0.00 0.00 57.07 56.45 3f8h s TYR 120 Cb -0.08 0.58 0.03 0.00 0.38 0.00 0.00 41.96 42.87 3f8h s TYR 120 CO 0.05 -0.66 1.42 1.21 -1.52 0.00 0.00 175.55 176.06 3f8h s ASN 121 N -2.69 6.16 0.20 -0.18 3.84 -1.26 -4.85 114.94 116.16 3f8h s ASN 121 Ca 0.08 -0.77 -0.07 0.00 0.21 0.00 0.00 52.86 52.32 3f8h s ASN 121 Cb -0.01 -2.56 0.14 0.00 -0.55 0.00 0.00 41.25 38.27 3f8h s ASN 121 CO -0.04 -1.81 1.65 0.25 -2.79 0.00 0.00 177.10 174.35 3f8h h LEU 122 N 13.48 0.93 -0.78 3.21 5.85 -1.98 -1.31 115.31 134.71 3f8h h LEU 122 Ca -0.08 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.37 3f8h h LEU 122 Cb 1.04 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 3f8h h LEU 122 CO 1.33 1.04 0.51 0.28 -0.34 0.00 0.00 178.44 181.26 3f8h h SER 123 N 0.85 0.87 -0.42 1.25 0.02 -1.99 -0.06 113.55 114.05 3f8h h SER 123 Ca 0.14 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3f8h h SER 123 Cb 0.62 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3f8h h SER 123 CO 0.04 0.62 -0.07 -0.78 -1.14 0.00 0.00 176.83 175.50 3f8h h ASP 124 N 1.03 0.79 -0.53 3.07 3.58 -1.88 -1.91 116.42 120.58 3f8h h ASP 124 Ca 0.30 -0.35 0.01 0.00 0.42 0.00 0.00 57.03 57.41 3f8h h ASP 124 Cb -0.07 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.73 3f8h h ASP 124 CO -0.08 0.95 0.34 -0.25 -2.88 0.00 0.00 179.24 177.32 3f8h h TRP 125 N 0.62 0.63 -0.42 0.28 7.01 -0.71 -0.58 115.95 122.79 3f8h h TRP 125 Ca 0.11 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.09 3f8h h TRP 125 Cb 0.59 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.42 3f8h h TRP 125 CO 0.05 0.38 0.10 0.82 -2.79 0.00 0.00 178.44 177.00 3f8h h ILE 126 N 0.68 1.19 -0.24 2.65 2.04 -0.85 -1.87 117.51 121.11 3f8h h ILE 126 Ca 0.20 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 3f8h h ILE 126 Cb -0.04 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3f8h h ILE 126 CO -0.07 0.24 -0.01 0.50 0.00 0.00 0.00 178.15 178.82 3f8h h LYS 127 N 0.61 0.43 -0.55 2.37 1.63 -0.68 -1.78 116.57 118.58 3f8h h LYS 127 Ca 0.14 -0.14 0.01 0.00 -0.85 0.00 0.00 60.65 59.81 3f8h h LYS 127 Cb 0.23 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 3f8h h LYS 127 CO -0.00 0.61 0.36 1.96 -3.45 0.00 0.00 179.45 178.92 3f8h h GLN 128 N 0.19 0.70 0.00 1.90 4.20 -0.38 -2.78 115.11 118.94 3f8h h GLN 128 Ca 0.07 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3f8h h GLN 128 Cb 0.42 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3f8h h GLN 128 CO 0.01 0.47 -0.29 1.33 -0.67 0.00 0.00 178.83 179.68 3f8h n VAL 129 N -4.72 0.17 0.84 -0.54 0.24 -0.78 -3.19 118.33 110.36 3f8h n VAL 129 Ca 0.04 -0.10 0.12 0.00 -2.04 0.00 0.00 64.34 62.35 3f8h n VAL 129 Cb 0.03 -0.20 0.19 0.00 -1.47 0.00 0.00 33.84 32.39 3f8h n VAL 129 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3f8h n SER 130 N -1.75 0.58 0.00 -1.34 7.64 -0.68 -4.95 113.62 113.12 3f8h n SER 130 Ca 0.06 -0.19 0.12 0.00 1.01 0.00 0.00 58.87 59.87 3f8h n SER 130 Cb 0.37 0.34 0.71 0.00 -1.01 0.00 0.00 64.21 64.62 3f8h n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03