#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psu h HIS 3 N 0.00 1.07 -0.33 0.66 -0.00 -1.99 0.24 115.15 114.79 1psu h HIS 3 Ca 0.00 -0.07 -0.07 0.00 -0.00 0.00 0.00 60.37 60.23 1psu h HIS 3 Cb 0.00 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.07 1psu h HIS 3 CO 0.00 0.81 -0.08 0.87 -0.00 0.00 0.00 177.93 179.54 1psu h LYS 4 N 1.04 0.64 -0.65 5.26 1.57 -1.99 -1.11 116.57 121.33 1psu h LYS 4 Ca 0.24 -0.24 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1psu h LYS 4 Cb 0.19 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 1psu h LYS 4 CO -0.02 0.81 0.37 0.00 -0.57 0.00 0.00 179.45 180.03 1psu h ALA 5 N 0.81 0.87 -0.69 3.86 0.00 -1.56 -1.27 119.26 121.29 1psu h ALA 5 Ca 0.08 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1psu h ALA 5 Cb 0.57 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1psu h ALA 5 CO 0.03 0.05 0.13 -1.49 0.00 0.00 0.00 179.25 177.97 1psu h TRP 6 N 0.68 1.20 -0.37 0.00 4.06 -0.76 -0.16 115.95 120.60 1psu h TRP 6 Ca 0.29 -0.16 0.01 0.00 2.06 0.00 0.00 58.89 61.09 1psu h TRP 6 Cb 0.17 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 27.98 1psu h TRP 6 CO -0.08 0.99 0.23 1.96 -3.56 0.00 0.00 178.44 177.99 1psu h GLN 7 N 1.06 0.46 -0.55 0.49 4.20 -0.38 0.14 115.11 120.52 1psu h GLN 7 Ca 0.21 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 1psu h GLN 7 Cb 0.43 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1psu h GLN 7 CO 0.01 0.30 0.22 -0.91 -0.67 0.00 0.00 178.83 177.78 1psu h ASN 8 N 0.47 0.77 -0.56 1.46 2.35 -1.02 -1.49 115.58 117.56 1psu h ASN 8 Ca 0.14 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1psu h ASN 8 Cb -0.02 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 1psu h ASN 8 CO -0.05 0.73 0.36 0.00 -1.65 0.00 0.00 177.43 176.82 1psu h ALA 9 N 1.07 0.71 -0.50 -0.83 0.00 -0.53 -2.32 119.26 116.85 1psu h ALA 9 Ca 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1psu h ALA 9 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1psu h ALA 9 CO -0.01 0.16 0.14 0.45 0.00 0.00 0.00 179.25 179.99 1psu h HIS 10 N 0.76 0.76 0.00 0.00 3.86 -0.48 0.05 115.15 120.09 1psu h HIS 10 Ca 0.20 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1psu h HIS 10 Cb -0.07 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.18 1psu h HIS 10 CO -0.03 0.63 0.00 0.00 0.86 0.00 0.00 177.93 179.39 1psu n ALA 11 N -2.46 1.71 0.00 2.45 0.00 -0.58 -2.47 120.51 119.15 1psu n ALA 11 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1psu n ALA 11 Cb 0.20 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1psu n ALA 11 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1psu n TYR 13 N 0.40 0.00 -0.16 0.00 9.36 0.00 -4.14 117.16 122.62 1psu n TYR 13 Ca 0.00 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.39 1psu n TYR 13 Cb 0.13 0.00 0.53 0.00 -0.63 0.00 0.00 39.34 39.37 1psu n TYR 13 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1psu h GLU 14 N 0.00 0.35 -0.47 2.98 5.08 -1.73 -1.65 114.58 119.14 1psu h GLU 14 Ca 0.00 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 1psu h GLU 14 Cb 0.00 -0.08 -0.19 0.00 0.50 0.00 0.00 28.75 28.98 1psu h GLU 14 CO 0.00 0.23 -0.25 0.09 -1.00 0.00 0.00 179.01 178.08 1psu n ASN 15 N -4.46 3.49 -4.13 1.42 3.02 -1.26 -4.88 115.26 108.46 1psu n ASN 15 Ca 0.15 -3.80 -0.37 0.00 -0.03 0.00 0.00 54.58 50.52 1psu n ASN 15 Cb 0.57 -0.58 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1psu n ASN 15 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1psu s ASP 16 N -2.86 5.86 0.18 6.41 -1.08 -0.62 -4.91 116.67 119.65 1psu s ASP 16 Ca 0.47 -3.38 -0.11 0.00 -0.52 0.00 0.00 52.55 49.02 1psu s ASP 16 Cb 0.41 -1.92 0.09 0.00 -1.46 0.00 0.00 42.92 40.04 1psu s ASP 16 CO -0.00 -0.27 1.73 0.00 0.52 0.00 0.00 175.17 177.14 1psu h ALA 17 N 6.48 0.85 -0.36 3.66 0.00 -1.90 -2.43 119.26 125.55 1psu h ALA 17 Ca 0.10 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1psu h ALA 17 Cb 0.88 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1psu h ALA 17 CO 0.81 0.49 0.21 0.00 0.00 0.00 0.00 179.25 180.75 1psu h ALA 19 N 1.16 -0.38 -0.35 0.00 0.00 -1.91 -1.39 119.26 116.40 1psu h ALA 19 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1psu h ALA 19 Cb -0.00 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1psu h ALA 19 CO -0.06 -0.70 0.23 0.87 0.00 0.00 0.00 179.25 179.59 1psu h LYS 20 N -0.41 0.46 -0.53 0.00 1.57 -1.36 0.81 116.57 117.11 1psu h LYS 20 Ca -0.04 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1psu h LYS 20 Cb 0.32 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1psu h LYS 20 CO 0.06 0.32 0.36 0.00 -0.57 0.00 0.00 179.45 179.62 1psu h ALA 21 N 1.12 2.03 -0.01 3.86 0.00 -0.72 0.14 119.26 125.68 1psu h ALA 21 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1psu h ALA 21 Cb -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1psu h ALA 21 CO -0.03 -0.14 -0.10 1.28 0.00 0.00 0.00 179.25 180.26 1psu n LEU 22 N -4.47 1.19 -1.23 0.00 4.77 -0.53 -4.94 117.00 111.80 1psu n LEU 22 Ca 0.08 -0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 55.62 1psu n LEU 22 Cb 0.34 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1psu n LEU 22 CO 0.34 0.21 -0.04 0.61 -1.33 0.00 0.00 177.39 177.18 1psu n GLY 23 N 1.23 0.14 3.70 -0.72 0.00 0.48 -4.71 105.19 105.31 1psu n GLY 23 Ca 0.16 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1psu n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1psu s ILE 24 N -2.66 5.05 0.02 -0.61 1.01 0.17 -4.45 121.20 119.73 1psu s ILE 24 Ca 0.08 1.34 0.07 0.00 0.00 0.00 0.00 60.65 62.15 1psu s ILE 24 Cb -0.04 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1psu s ILE 24 CO 0.10 0.21 -0.21 -1.81 0.00 0.00 0.00 174.94 173.24 1psu s ASP 25 N 0.88 3.56 -0.22 3.58 1.01 -0.10 -4.58 116.67 120.81 1psu s ASP 25 Ca 0.34 -0.45 -0.16 0.00 0.71 0.00 0.00 52.55 53.00 1psu s ASP 25 Cb -0.17 -0.52 -0.04 0.00 1.01 0.00 0.00 42.92 43.21 1psu s ASP 25 CO 0.15 0.28 0.40 -0.63 0.21 0.00 0.00 175.17 175.57 1psu s ILE 26 N -0.83 5.19 -0.11 0.77 1.01 -1.26 -0.68 121.20 125.28 1psu s ILE 26 Ca 0.13 0.68 0.06 0.00 0.00 0.00 0.00 60.65 61.52 1psu s ILE 26 Cb -0.10 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.55 1psu s ILE 26 CO 0.03 0.22 0.19 2.30 0.00 0.00 0.00 174.94 177.67 1psu n ILE 27 N 4.59 0.00 -3.98 2.92 -5.35 -0.64 -5.00 119.36 111.90 1psu n ILE 27 Ca -0.08 -0.22 -0.09 0.00 -0.27 0.00 0.00 62.75 62.09 1psu n ILE 27 Cb 0.51 0.57 -0.04 0.00 -1.74 0.00 0.00 39.64 38.94 1psu n ILE 27 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1psu s SER 28 N -2.36 0.02 0.00 7.28 0.15 -1.16 -4.97 113.70 112.66 1psu s SER 28 Ca -0.01 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.66 1psu s SER 28 Cb 0.04 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 1psu s SER 28 CO 0.27 -1.23 0.00 -0.67 1.20 0.00 0.00 173.24 172.81 1psu n ASP 30 N -0.60 0.00 -4.64 5.45 2.03 -0.34 -1.12 116.55 117.33 1psu n ASP 30 Ca -0.02 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.87 1psu n ASP 30 Cb 0.61 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.98 1psu n ASP 30 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1psu s GLU 31 N -1.95 3.85 -1.19 -0.67 2.12 -1.26 -1.55 118.70 118.05 1psu s GLU 31 Ca 0.00 2.31 -0.02 0.00 0.36 0.00 0.00 54.97 57.61 1psu s GLU 31 Cb 0.00 -4.18 0.00 0.00 0.26 0.00 0.00 34.13 30.21 1psu s GLU 31 CO 0.00 -1.27 0.29 0.41 -0.54 0.00 0.00 175.26 174.15 1psu n GLY 32 N 4.81 -0.21 3.38 -1.50 0.00 -1.25 -4.91 105.19 105.51 1psu n GLY 32 Ca 0.22 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1psu n GLY 32 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1psu s PHE 33 N -2.92 -0.72 -0.09 1.61 5.36 -0.60 -1.42 117.98 119.21 1psu s PHE 33 Ca 0.15 1.51 -0.12 0.00 -0.96 0.00 0.00 56.93 57.51 1psu s PHE 33 Cb -0.06 0.36 0.03 0.00 -0.34 0.00 0.00 43.02 43.00 1psu s PHE 33 CO 0.18 -0.38 0.31 0.00 -1.46 0.00 0.00 175.22 173.87 1psu s ALA 34 N 1.35 -0.77 -0.09 11.12 0.00 -0.81 -1.20 121.76 131.37 1psu s ALA 34 Ca -0.09 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.61 1psu s ALA 34 Cb -0.07 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.71 1psu s ALA 34 CO -0.13 -0.18 -0.16 0.08 0.00 0.00 0.00 175.76 175.37 1psu s VAL 35 N -0.25 1.50 0.11 0.00 1.01 -0.27 -0.44 120.40 122.06 1psu s VAL 35 Ca -0.04 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.35 1psu s VAL 35 Cb -0.03 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1psu s VAL 35 CO 0.01 0.44 -0.18 -0.69 0.00 0.00 0.00 175.10 174.68 1psu s VAL 36 N 0.76 1.58 0.36 2.92 1.01 0.89 -1.62 120.40 126.29 1psu s VAL 36 Ca -0.11 -1.61 0.04 0.00 0.00 0.00 0.00 61.98 60.29 1psu s VAL 36 Cb -0.16 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1psu s VAL 36 CO 0.02 -0.20 0.12 -0.89 0.00 0.00 0.00 175.10 174.15 1psu s THR 37 N -1.53 0.66 -0.03 3.92 2.01 0.14 0.03 115.64 120.85 1psu s THR 37 Ca 0.07 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.08 1psu s THR 37 Cb -0.08 -2.49 0.02 0.00 0.01 0.00 0.00 72.50 69.95 1psu s THR 37 CO 0.04 0.00 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.05 1psu s THR 39 N -3.34 0.37 -0.07 -0.82 2.01 -1.26 -0.92 115.64 111.60 1psu s THR 39 Ca 0.30 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 1psu s THR 39 Cb 0.05 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 1psu s THR 39 CO 0.15 0.17 1.30 -0.69 -0.69 0.00 0.00 174.62 174.86 1psu s VAL 40 N 0.67 4.07 0.24 3.82 1.01 0.01 -4.94 120.40 125.28 1psu s VAL 40 Ca -0.08 1.38 0.08 0.00 0.00 0.00 0.00 61.98 63.36 1psu s VAL 40 Cb -0.11 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1psu s VAL 40 CO -0.01 -0.04 0.10 0.28 0.00 0.00 0.00 175.10 175.43 1psu s THR 41 N 2.74 4.02 0.04 3.92 -1.32 -1.26 -0.20 115.64 123.58 1psu s THR 41 Ca 0.59 -1.56 0.30 0.00 -1.21 0.00 0.00 61.69 59.81 1psu s THR 41 Cb -0.26 -3.14 0.31 0.00 -1.51 0.00 0.00 72.50 67.90 1psu s THR 41 CO 0.22 -0.31 1.92 0.00 -2.21 0.00 0.00 174.62 174.23 1psu h ALA 42 N 1.83 1.00 0.00 11.08 0.00 -1.97 -3.34 119.26 127.87 1psu h ALA 42 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1psu h ALA 42 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1psu h ALA 42 CO 0.60 0.00 -0.01 1.04 0.00 0.00 0.00 179.25 180.88 1psu n GLN 43 N -2.60 0.88 -0.40 0.00 3.00 -1.26 -4.95 117.38 112.05 1psu n GLN 43 Ca -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1psu n GLN 43 Cb 0.11 -1.14 0.00 0.00 0.00 0.00 0.00 30.24 29.21 1psu n GLN 43 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1psu n LEU 45 N 1.65 -0.55 0.00 1.08 4.77 -1.25 -5.10 117.00 117.59 1psu n LEU 45 Ca 0.02 0.73 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 1psu n LEU 45 Cb 0.43 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1psu n LEU 45 CO 0.01 -0.16 0.00 -0.46 -1.33 0.00 0.00 177.39 175.45 1psu n ASN 46 N -1.66 0.00 0.00 -1.43 0.23 0.27 -4.85 115.26 107.83 1psu n ASN 46 Ca 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.11 1psu n ASN 46 Cb 0.10 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.16 1psu n ASN 46 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1psu n GLY 47 N 5.00 -0.91 0.24 4.83 0.00 -1.26 -3.07 105.19 110.02 1psu n GLY 47 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1psu n GLY 47 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1psu n HIS 48 N -0.71 0.00 -1.60 1.61 8.25 -1.26 -4.95 115.22 116.56 1psu n HIS 48 Ca 0.09 -0.79 -0.18 0.00 -0.26 0.00 0.00 57.72 56.58 1psu n HIS 48 Cb 0.04 -0.13 -0.07 0.00 1.12 0.00 0.00 29.99 30.95 1psu n HIS 48 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1psu n GLN 49 N -1.05 -1.28 -4.20 -0.41 6.02 -1.17 -4.97 117.38 110.32 1psu n GLN 49 Ca 0.12 1.11 -0.29 0.00 -0.01 0.00 0.00 57.00 57.93 1psu n GLN 49 Cb 0.67 -5.41 -0.09 0.00 1.02 0.00 0.00 30.24 26.43 1psu n GLN 49 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1psu s SER 50 N -2.75 4.58 0.43 1.08 0.15 -1.26 -4.28 113.70 111.64 1psu s SER 50 Ca 0.00 -0.35 -0.26 0.00 0.70 0.00 0.00 55.95 56.05 1psu s SER 50 Cb 0.00 -0.93 -0.09 0.00 -1.71 0.00 0.00 66.02 63.29 1psu s SER 50 CO 0.00 0.16 1.38 0.00 1.20 0.00 0.00 173.24 175.99 1psu s HIS 52 N -1.22 3.19 0.30 0.00 3.76 -1.26 -4.72 115.29 115.34 1psu s HIS 52 Ca 0.59 1.62 -0.00 0.00 -0.15 0.00 0.00 55.06 57.12 1psu s HIS 52 Cb -0.42 -3.16 0.50 0.00 1.11 0.00 0.00 32.58 30.61 1psu s HIS 52 CO 0.54 -0.78 1.95 0.78 -0.85 0.00 0.00 174.74 176.38 1psu h GLY 53 N 2.35 1.20 0.72 -2.22 0.00 -1.99 -2.24 103.07 100.89 1psu h GLY 53 Ca -0.49 -0.42 0.07 0.00 0.00 0.00 0.00 47.33 46.50 1psu h GLY 53 CO 0.62 0.37 0.64 -1.33 0.00 0.00 0.00 176.54 176.83 1psu h GLY 54 N 1.06 1.51 1.27 4.60 0.00 -1.99 0.16 103.07 109.69 1psu h GLY 54 Ca 0.33 -0.46 -0.17 0.00 0.00 0.00 0.00 47.33 47.03 1psu h GLY 54 CO -0.10 0.31 -0.54 1.46 0.00 0.00 0.00 176.54 177.68 1psu h GLN 55 N 1.13 0.76 -0.43 4.80 7.50 -1.81 -1.61 115.11 125.46 1psu h GLN 55 Ca 0.44 -0.48 -0.14 0.00 0.50 0.00 0.00 58.65 58.97 1psu h GLN 55 Cb 0.22 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.79 1psu h GLN 55 CO -0.18 1.10 -0.27 -0.07 -1.50 0.00 0.00 178.83 177.91 1psu h LEU 56 N 0.59 0.96 -0.31 1.46 3.38 -1.07 -1.95 115.31 118.36 1psu h LEU 56 Ca 0.02 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1psu h LEU 56 Cb 1.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1psu h LEU 56 CO 0.11 1.16 0.19 0.15 0.09 0.00 0.00 178.44 180.14 1psu h PHE 57 N 0.78 0.41 -0.57 1.13 3.57 -0.63 -1.84 116.94 119.78 1psu h PHE 57 Ca 0.09 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.62 1psu h PHE 57 Cb 0.84 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1psu h PHE 57 CO 0.05 0.31 0.38 0.77 -2.23 0.00 0.00 178.31 177.59 1psu h SER 58 N 0.40 0.60 -0.23 0.41 0.02 -1.09 0.13 113.55 113.79 1psu h SER 58 Ca 0.11 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1psu h SER 58 Cb 0.02 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 1psu h SER 58 CO -0.02 0.42 -0.19 0.25 -1.14 0.00 0.00 176.83 176.15 1psu h LEU 59 N 0.70 0.57 -0.56 5.07 5.85 -0.90 -1.71 115.31 124.31 1psu h LEU 59 Ca 0.23 -0.46 -0.12 0.00 0.84 0.00 0.00 57.88 58.37 1psu h LEU 59 Cb 0.05 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1psu h LEU 59 CO -0.06 0.90 -0.17 0.00 -0.34 0.00 0.00 178.44 178.78 1psu h ALA 60 N 0.68 0.76 0.00 1.25 0.00 -0.79 -2.62 119.26 118.54 1psu h ALA 60 Ca 0.04 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1psu h ALA 60 Cb 0.73 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1psu h ALA 60 CO 0.05 0.67 -0.33 0.22 0.00 0.00 0.00 179.25 179.86 1psu h ASP 61 N 0.85 0.00 -0.13 0.00 3.58 -0.74 -0.55 116.42 119.43 1psu h ASP 61 Ca 0.12 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.52 1psu h ASP 61 Cb 0.73 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.78 1psu h ASP 61 CO 0.06 0.33 -0.12 0.74 -2.88 0.00 0.00 179.24 177.36 1psu h THR 62 N 0.00 1.35 -0.82 2.25 2.02 -1.07 0.97 112.91 117.61 1psu h THR 62 Ca -0.00 -1.27 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 1psu h THR 62 Cb 0.60 1.88 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 1psu h THR 62 CO 0.04 0.37 0.38 0.00 0.37 0.00 0.00 175.52 176.68 1psu h ALA 63 N 0.61 1.06 -0.36 6.16 0.00 -1.12 -1.60 119.26 124.01 1psu h ALA 63 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1psu h ALA 63 Cb 0.64 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1psu h ALA 63 CO 0.03 0.65 0.17 0.35 0.00 0.00 0.00 179.25 180.45 1psu h PHE 64 N 1.18 0.52 -0.09 0.00 3.57 -0.99 -0.88 116.94 120.24 1psu h PHE 64 Ca 0.28 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.76 1psu h PHE 64 Cb 0.15 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1psu h PHE 64 CO 0.02 0.45 0.02 0.00 -2.23 0.00 0.00 178.31 176.57 1psu h ALA 65 N 1.02 0.09 -0.72 2.41 0.00 -0.47 -0.84 119.26 120.75 1psu h ALA 65 Ca 0.12 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1psu h ALA 65 Cb 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1psu h ALA 65 CO -0.01 -0.44 0.19 1.88 0.00 0.00 0.00 179.25 180.87 1psu h TYR 66 N 0.07 1.19 -0.33 0.00 -1.99 -1.21 -2.17 116.97 112.53 1psu h TYR 66 Ca 0.04 -0.13 -0.10 0.00 2.00 0.00 0.00 58.73 60.54 1psu h TYR 66 Cb 0.03 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.41 1psu h TYR 66 CO -0.10 0.96 -0.19 0.00 -0.00 0.00 0.00 178.16 178.83 1psu h ALA 67 N 1.11 0.46 -0.00 3.88 0.00 -0.96 -1.41 119.26 122.35 1psu h ALA 67 Ca 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1psu h ALA 67 Cb 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1psu h ALA 67 CO -0.00 0.40 -0.01 0.00 0.00 0.00 0.00 179.25 179.64 1psu n ASN 69 N -0.99 0.78 0.33 0.00 3.02 -0.82 -4.59 115.26 112.98 1psu n ASN 69 Ca 0.21 -0.89 0.21 0.00 -0.03 0.00 0.00 54.58 54.09 1psu n ASN 69 Cb 0.16 0.56 1.17 0.00 -0.61 0.00 0.00 39.78 41.06 1psu n ASN 69 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1psu h SER 70 N 0.49 0.00 1.19 6.41 4.64 -1.14 -0.89 113.55 124.25 1psu h SER 70 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1psu h SER 70 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1psu h SER 70 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1psu n GLN 71 N -3.22 0.16 -0.06 4.77 3.00 -1.26 -3.95 117.38 116.82 1psu n GLN 71 Ca -0.03 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1psu n GLN 71 Cb 0.08 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 28.62 1psu n GLN 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1psu n GLY 72 N 1.16 0.55 3.30 1.08 0.00 -0.34 -5.06 105.19 105.87 1psu n GLY 72 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1psu n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1psu s LEU 73 N 0.00 3.73 0.04 0.99 1.43 -1.26 -3.97 118.68 119.65 1psu s LEU 73 Ca 0.00 -0.81 -0.37 0.00 -1.03 0.00 0.00 54.13 51.91 1psu s LEU 73 Cb 0.00 -1.82 -0.17 0.00 0.03 0.00 0.00 46.19 44.23 1psu s LEU 73 CO 0.00 -0.19 1.36 0.00 0.23 0.00 0.00 176.35 177.75 1psu n ALA 74 N 4.80 -1.09 -2.83 4.21 0.00 -0.05 -4.65 120.51 120.90 1psu n ALA 74 Ca -0.15 0.51 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 1psu n ALA 74 Cb 0.47 -2.07 -0.09 0.00 0.00 0.00 0.00 19.45 17.76 1psu n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1psu s ALA 75 N 0.76 -0.13 0.21 0.00 0.00 -1.26 -0.76 121.76 120.58 1psu s ALA 75 Ca 0.86 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.40 1psu s ALA 75 Cb -0.99 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 1psu s ALA 75 CO 0.50 -0.29 0.02 0.54 0.00 0.00 0.00 175.76 176.52 1psu s VAL 76 N -2.28 0.79 -0.12 0.00 0.11 0.02 -4.91 120.40 114.01 1psu s VAL 76 Ca -0.08 -2.00 -0.24 0.00 -2.93 0.00 0.00 61.98 56.73 1psu s VAL 76 Cb -0.03 -2.29 -0.03 0.00 -1.53 0.00 0.00 36.38 32.50 1psu s VAL 76 CO -0.03 -0.34 0.74 0.00 -3.33 0.00 0.00 175.10 172.14 1psu s ALA 77 N -3.59 3.42 -0.10 1.54 0.00 -1.26 -0.31 121.76 121.47 1psu s ALA 77 Ca 0.28 0.05 0.19 0.00 0.00 0.00 0.00 51.96 52.48 1psu s ALA 77 Cb 0.06 -3.06 -0.28 0.00 0.00 0.00 0.00 23.12 19.84 1psu s ALA 77 CO 0.07 -0.37 0.27 -1.13 0.00 0.00 0.00 175.76 174.61 1psu n SER 78 N 4.48 0.37 -3.46 0.00 3.41 -0.43 -4.93 113.62 113.06 1psu n SER 78 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.51 1psu n SER 78 Cb 0.50 1.49 -0.02 0.00 -0.26 0.00 0.00 64.21 65.92 1psu n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1psu s ALA 79 N -2.98 -1.71 -0.12 7.33 0.00 -1.21 -5.00 121.76 118.07 1psu s ALA 79 Ca -0.08 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 1psu s ALA 79 Cb 0.10 0.62 0.12 0.00 0.00 0.00 0.00 23.12 23.95 1psu s ALA 79 CO 0.81 -0.71 0.97 0.00 0.00 0.00 0.00 175.76 176.83 1psu s THR 81 N -1.65 1.31 -0.01 0.00 2.01 0.13 -4.97 115.64 112.46 1psu s THR 81 Ca 0.00 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.30 1psu s THR 81 Cb -0.01 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 1psu s THR 81 CO -0.01 0.35 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.66 1psu s ILE 82 N -0.41 0.82 -0.19 1.82 2.07 -1.26 -1.20 121.20 122.85 1psu s ILE 82 Ca 0.06 -0.43 0.01 0.00 -1.41 0.00 0.00 60.65 58.88 1psu s ILE 82 Cb -0.06 -0.69 0.03 0.00 0.13 0.00 0.00 42.46 41.86 1psu s ILE 82 CO -0.01 0.24 -0.16 -1.81 -1.91 0.00 0.00 174.94 171.29 1psu s ASP 83 N -0.16 3.28 -0.18 4.50 1.01 0.05 -5.00 116.67 120.17 1psu s ASP 83 Ca 0.03 -0.77 -0.21 0.00 0.71 0.00 0.00 52.55 52.31 1psu s ASP 83 Cb -0.05 -1.39 -0.03 0.00 1.01 0.00 0.00 42.92 42.46 1psu s ASP 83 CO -0.00 -0.06 0.62 -0.36 0.21 0.00 0.00 175.17 175.57 1psu s PHE 84 N 1.32 3.40 -0.15 4.23 0.40 -1.26 -1.62 117.98 124.29 1psu s PHE 84 Ca 0.02 0.93 -0.02 0.00 -0.60 0.00 0.00 56.93 57.27 1psu s PHE 84 Cb -0.15 -2.77 -0.09 0.00 0.51 0.00 0.00 43.02 40.52 1psu s PHE 84 CO -0.11 -0.13 -0.16 1.28 0.70 0.00 0.00 175.22 176.81 1psu n LEU 85 N 4.85 2.39 -4.01 -0.37 4.77 0.15 -4.99 117.00 119.79 1psu n LEU 85 Ca -0.02 0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.87 1psu n LEU 85 Cb 0.50 -0.51 -0.11 0.00 -2.33 0.00 0.00 43.42 40.97 1psu n LEU 85 CO 0.44 0.62 -0.37 -0.13 -1.33 0.00 0.00 177.39 176.62 1psu s ARG 86 N -2.30 0.40 0.79 3.23 0.52 -0.91 -5.02 118.95 115.66 1psu s ARG 86 Ca -0.21 -0.70 -0.11 0.00 -0.52 0.00 0.00 55.73 54.19 1psu s ARG 86 Cb 0.06 0.00 0.07 0.00 0.52 0.00 0.00 34.95 35.60 1psu s ARG 86 CO 0.33 -0.03 1.09 -2.14 0.02 0.00 0.00 175.30 174.57 1psu s PRO 87 N -1.70 2.11 -0.37 3.54 0.02 -1.26 -4.74 135.00 132.60 1psu s PRO 87 Ca -0.12 1.09 -0.01 0.00 0.02 0.00 0.00 61.00 61.98 1psu s PRO 87 Cb -0.09 -1.89 0.10 0.00 0.02 0.00 0.00 34.50 32.64 1psu s PRO 87 CO -0.01 -1.72 0.13 0.20 -0.33 0.00 0.00 177.00 175.26 1psu s GLY 88 N -3.42 1.93 0.42 0.52 0.00 -1.26 -4.95 107.32 100.55 1psu s GLY 88 Ca 0.61 -2.38 -0.13 0.00 0.00 0.00 0.00 44.72 42.83 1psu s GLY 88 CO 0.56 0.94 0.82 -1.36 0.00 0.00 0.00 173.10 174.06 1psu s PHE 89 N 1.11 3.45 0.33 1.90 0.40 -1.26 -0.41 117.98 123.50 1psu s PHE 89 Ca 0.06 1.18 -0.28 0.00 -0.60 0.00 0.00 56.93 57.29 1psu s PHE 89 Cb -0.21 -2.54 -0.13 0.00 0.51 0.00 0.00 43.02 40.64 1psu s PHE 89 CO -0.04 -0.14 1.15 0.00 0.70 0.00 0.00 175.22 176.89 1psu n ALA 90 N -1.23 0.59 0.00 5.36 0.00 -1.26 -1.13 120.51 122.84 1psu n ALA 90 Ca 0.04 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1psu n ALA 90 Cb 0.54 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1psu n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1psu n GLY 91 N 0.98 2.57 3.77 0.00 0.00 0.72 -4.98 105.19 108.25 1psu n GLY 91 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1psu n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1psu s ASP 92 N -1.94 6.47 -0.26 1.61 1.11 -0.28 -4.76 116.67 118.61 1psu s ASP 92 Ca 0.00 2.44 -0.07 0.00 0.18 0.00 0.00 52.55 55.10 1psu s ASP 92 Cb 0.00 -2.62 -0.01 0.00 1.07 0.00 0.00 42.92 41.35 1psu s ASP 92 CO 0.00 -0.72 0.06 -0.89 1.18 0.00 0.00 175.17 174.80 1psu s THR 93 N -1.36 4.11 -0.16 -1.27 2.01 -1.26 -0.81 115.64 116.90 1psu s THR 93 Ca 0.57 -0.37 -0.07 0.00 0.31 0.00 0.00 61.69 62.13 1psu s THR 93 Cb -0.33 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 1psu s THR 93 CO 0.42 0.26 0.06 -0.76 -0.69 0.00 0.00 174.62 173.91 1psu s LEU 94 N 1.57 3.86 -0.12 4.42 1.43 -1.26 -1.98 118.68 126.60 1psu s LEU 94 Ca 0.05 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 1psu s LEU 94 Cb -0.16 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1psu s LEU 94 CO 0.03 0.24 -0.22 -0.89 0.23 0.00 0.00 176.35 175.73 1psu s THR 95 N -0.01 2.14 -0.19 5.49 2.01 0.38 -4.28 115.64 121.19 1psu s THR 95 Ca 0.06 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 1psu s THR 95 Cb -0.12 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.55 1psu s THR 95 CO 0.01 0.55 -0.12 0.00 -0.69 0.00 0.00 174.62 174.37 1psu s ALA 96 N 0.53 2.58 -0.19 7.40 0.00 0.11 -0.56 121.76 131.63 1psu s ALA 96 Ca -0.14 -1.16 -0.03 0.00 0.00 0.00 0.00 51.96 50.64 1psu s ALA 96 Cb -0.17 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.51 1psu s ALA 96 CO 0.05 -0.32 -0.07 0.99 0.00 0.00 0.00 175.76 176.41 1psu s THR 97 N 1.27 3.30 -0.16 0.00 2.01 -0.66 -0.08 115.64 121.33 1psu s THR 97 Ca 0.03 -0.53 -0.03 0.00 0.31 0.00 0.00 61.69 61.47 1psu s THR 97 Cb -0.14 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 1psu s THR 97 CO -0.06 0.46 -0.06 0.00 -0.69 0.00 0.00 174.62 174.26 1psu s ALA 98 N 1.10 2.86 -0.01 7.40 0.00 0.42 -1.57 121.76 131.95 1psu s ALA 98 Ca 0.01 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.14 1psu s ALA 98 Cb -0.15 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 1psu s ALA 98 CO -0.01 0.11 -0.23 -0.65 0.00 0.00 0.00 175.76 174.98 1psu s GLN 99 N 0.55 1.88 0.25 0.00 -0.21 0.76 -1.92 119.66 120.97 1psu s GLN 99 Ca -0.05 -0.85 -0.30 0.00 0.02 0.00 0.00 55.36 54.19 1psu s GLN 99 Cb -0.15 -1.83 -0.09 0.00 1.00 0.00 0.00 33.01 31.94 1psu s GLN 99 CO 0.03 0.50 0.99 0.54 -2.12 0.00 0.00 175.29 175.23 1psu s VAL 100 N -0.56 3.90 -0.10 1.09 0.11 -0.50 -0.22 120.40 124.12 1psu s VAL 100 Ca 0.09 1.90 0.09 0.00 -2.93 0.00 0.00 61.98 61.13 1psu s VAL 100 Cb -0.09 -4.21 -0.12 0.00 -1.53 0.00 0.00 36.38 30.43 1psu s VAL 100 CO -0.01 0.45 0.03 0.54 -3.33 0.00 0.00 175.10 172.78 1psu n ARG 101 N 1.46 2.39 -3.65 1.54 5.12 0.16 -4.86 116.66 118.82 1psu n ARG 101 Ca -0.02 -0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.76 1psu n ARG 101 Cb 0.46 -1.25 -0.08 0.00 -1.16 0.00 0.00 32.46 30.44 1psu n ARG 101 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1psu s HIS 102 N -2.23 -0.62 -0.25 -1.55 2.46 -0.76 -4.94 115.29 107.39 1psu s HIS 102 Ca -0.05 1.43 -0.02 0.00 0.47 0.00 0.00 55.06 56.89 1psu s HIS 102 Cb 0.03 0.25 0.14 0.00 -0.13 0.00 0.00 32.58 32.86 1psu s HIS 102 CO 0.40 -0.38 0.36 -1.14 -2.47 0.00 0.00 174.74 171.51 1psu s GLN 103 N -0.07 0.34 0.00 2.88 2.00 -1.26 -0.25 119.66 123.30 1psu s GLN 103 Ca -0.03 0.35 0.00 0.00 -2.00 0.00 0.00 55.36 53.68 1psu s GLN 103 Cb -0.04 -0.53 0.00 0.00 0.80 0.00 0.00 33.01 33.24 1psu s GLN 103 CO 0.03 -0.76 0.00 0.41 -0.50 0.00 0.00 175.29 174.47 1psu n GLY 104 N 5.35 1.48 0.22 2.59 0.00 0.14 -4.98 105.19 109.99 1psu n GLY 104 Ca -0.03 -2.06 0.03 0.00 0.00 0.00 0.00 46.02 43.96 1psu n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1psu h LYS 105 N 0.00 0.13 0.00 1.61 1.79 -2.04 -3.38 116.57 114.68 1psu h LYS 105 Ca 0.00 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.36 1psu h LYS 105 Cb 0.00 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1psu h LYS 105 CO 0.00 0.35 -1.26 0.94 -1.08 0.00 0.00 179.45 178.40 1psu n GLN 106 N -4.23 0.10 -4.08 3.15 -0.06 -1.26 -4.90 117.38 106.10 1psu n GLN 106 Ca -0.01 0.04 -0.25 0.00 -2.00 0.00 0.00 57.00 54.78 1psu n GLN 106 Cb 0.31 -0.74 -0.05 0.00 -4.06 0.00 0.00 30.24 25.70 1psu n GLN 106 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1psu s THR 107 N -2.08 4.54 0.06 1.69 2.01 -1.26 -1.84 115.64 118.75 1psu s THR 107 Ca -0.06 -1.17 -0.13 0.00 0.31 0.00 0.00 61.69 60.64 1psu s THR 107 Cb 0.02 -3.37 0.02 0.00 0.01 0.00 0.00 72.50 69.18 1psu s THR 107 CO 0.08 -0.20 0.29 -0.83 -0.69 0.00 0.00 174.62 173.28 1psu s GLY 108 N -3.39 -0.10 -0.08 4.40 0.00 -0.95 0.26 107.32 107.46 1psu s GLY 108 Ca 0.32 -0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.94 1psu s GLY 108 CO 0.24 -0.33 -0.13 0.14 0.00 0.00 0.00 173.10 173.02 1psu s VAL 109 N -2.91 1.26 -0.02 1.40 1.01 0.65 -0.35 120.40 121.45 1psu s VAL 109 Ca -0.02 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.47 1psu s VAL 109 Cb 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1psu s VAL 109 CO -0.06 0.39 -0.16 -0.31 0.00 0.00 0.00 175.10 174.96 1psu s TYR 110 N 0.76 1.49 -0.14 5.22 1.51 -0.71 0.38 117.35 125.86 1psu s TYR 110 Ca -0.12 -0.31 -0.05 0.00 -1.01 0.00 0.00 57.07 55.58 1psu s TYR 110 Cb -0.16 -0.97 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 1psu s TYR 110 CO 0.03 -0.05 0.02 -0.51 -1.11 0.00 0.00 175.55 173.93 1psu s ASP 111 N -0.31 5.30 -0.00 2.29 1.11 0.70 -1.74 116.67 124.01 1psu s ASP 111 Ca 0.05 0.05 0.07 0.00 0.18 0.00 0.00 52.55 52.89 1psu s ASP 111 Cb -0.07 -1.78 -0.02 0.00 1.07 0.00 0.00 42.92 42.12 1psu s ASP 111 CO -0.00 0.24 -0.21 -0.63 1.18 0.00 0.00 175.17 175.74 1psu s ILE 112 N -0.04 1.68 -0.04 0.77 1.09 -0.04 -0.17 121.20 124.45 1psu s ILE 112 Ca 0.04 -0.98 0.01 0.00 -1.10 0.00 0.00 60.65 58.62 1psu s ILE 112 Cb -0.13 -1.41 0.02 0.00 -1.06 0.00 0.00 42.46 39.88 1psu s ILE 112 CO 0.02 0.41 -0.05 -0.70 -0.10 0.00 0.00 174.94 174.52 1psu s GLU 113 N -0.66 0.85 -0.20 2.79 2.12 -0.61 -0.21 118.70 122.78 1psu s GLU 113 Ca 0.08 -0.13 -0.07 0.00 0.36 0.00 0.00 54.97 55.22 1psu s GLU 113 Cb -0.08 -0.84 -0.03 0.00 0.26 0.00 0.00 34.13 33.44 1psu s GLU 113 CO -0.00 -0.06 0.05 0.42 -0.54 0.00 0.00 175.26 175.13 1psu s ILE 114 N 0.83 4.45 0.08 -3.70 1.01 0.05 -1.65 121.20 122.26 1psu s ILE 114 Ca -0.11 -0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.47 1psu s ILE 114 Cb -0.14 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 1psu s ILE 114 CO 0.00 0.42 -0.21 -0.69 0.00 0.00 0.00 174.94 174.47 1psu s VAL 115 N 0.83 1.69 0.55 2.92 1.01 0.28 0.42 120.40 128.09 1psu s VAL 115 Ca 0.03 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.60 1psu s VAL 115 Cb -0.14 -1.51 0.10 0.00 0.00 0.00 0.00 36.38 34.83 1psu s VAL 115 CO 0.02 0.02 0.76 -0.46 0.00 0.00 0.00 175.10 175.44 1psu n ASN 116 N 1.33 1.25 0.29 3.32 0.23 -0.35 -0.47 115.26 120.87 1psu n ASN 116 Ca -0.19 -2.00 0.17 0.00 -0.53 0.00 0.00 54.58 52.03 1psu n ASN 116 Cb 0.53 -0.47 0.90 0.00 -2.08 0.00 0.00 39.78 38.67 1psu n ASN 116 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1psu h GLN 117 N 0.00 0.00 -0.44 -3.83 -0.00 -1.74 -0.36 115.11 108.74 1psu h GLN 117 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.40 1psu h GLN 117 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.46 1psu h GLN 117 CO 0.29 0.05 0.00 1.04 -0.00 0.00 0.00 178.83 180.21 1psu n GLN 118 N -3.44 1.98 -1.75 0.06 1.13 -1.26 -4.88 117.38 109.21 1psu n GLN 118 Ca -0.02 -1.22 -0.14 0.00 -1.94 0.00 0.00 57.00 53.68 1psu n GLN 118 Cb 0.17 -1.39 -0.04 0.00 0.11 0.00 0.00 30.24 29.09 1psu n GLN 118 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1psu n GLN 119 N 0.41 -1.05 -3.82 -1.09 -0.06 -0.14 -4.99 117.38 106.64 1psu n GLN 119 Ca 0.11 0.88 -0.36 0.00 -2.00 0.00 0.00 57.00 55.63 1psu n GLN 119 Cb 0.37 -5.06 -0.07 0.00 -4.06 0.00 0.00 30.24 21.42 1psu n GLN 119 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1psu s LYS 120 N -3.80 3.82 -0.04 3.69 1.02 -1.26 -4.85 119.74 118.32 1psu s LYS 120 Ca 0.00 -0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 1psu s LYS 120 Cb 0.00 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 1psu s LYS 120 CO 0.00 0.53 1.54 0.99 -0.92 0.00 0.00 175.35 177.49 1psu s THR 121 N -0.31 3.64 -0.12 2.17 2.01 -1.26 -1.21 115.64 120.55 1psu s THR 121 Ca 0.11 0.88 0.04 0.00 0.31 0.00 0.00 61.69 63.04 1psu s THR 121 Cb -0.12 -3.57 -0.24 0.00 0.01 0.00 0.00 72.50 68.59 1psu s THR 121 CO 0.01 -0.05 0.35 0.52 -0.69 0.00 0.00 174.62 174.76 1psu n VAL 122 N 5.17 1.63 -3.49 3.82 0.31 0.17 -4.06 118.33 121.89 1psu n VAL 122 Ca 0.16 -0.72 -0.12 0.00 -0.01 0.00 0.00 64.34 63.64 1psu n VAL 122 Cb 0.43 -1.28 -0.03 0.00 -0.91 0.00 0.00 33.84 32.04 1psu n VAL 122 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1psu s ALA 123 N -2.56 -1.75 -0.04 3.52 0.00 -1.11 -0.67 121.76 119.15 1psu s ALA 123 Ca -0.16 0.99 0.05 0.00 0.00 0.00 0.00 51.96 52.83 1psu s ALA 123 Cb 0.07 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 1psu s ALA 123 CO 0.77 -0.58 -0.18 -0.51 0.00 0.00 0.00 175.76 175.26 1psu s LEU 124 N -2.06 1.96 0.05 0.00 1.43 -0.64 -0.77 118.68 118.65 1psu s LEU 124 Ca -0.01 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1psu s LEU 124 Cb -0.01 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 1psu s LEU 124 CO -0.04 0.18 -0.10 0.12 0.23 0.00 0.00 176.35 176.74 1psu s PHE 125 N -0.12 0.84 -0.11 0.29 5.36 0.70 -0.77 117.98 124.18 1psu s PHE 125 Ca -0.01 -0.47 -0.04 0.00 -0.96 0.00 0.00 56.93 55.46 1psu s PHE 125 Cb -0.10 -0.49 0.05 0.00 -0.34 0.00 0.00 43.02 42.14 1psu s PHE 125 CO 0.01 -0.04 0.22 0.50 -1.46 0.00 0.00 175.22 174.46 1psu s ARG 126 N -1.55 0.12 0.09 10.12 3.52 -0.34 -0.86 118.95 130.06 1psu s ARG 126 Ca -0.07 0.61 0.05 0.00 -0.13 0.00 0.00 55.73 56.19 1psu s ARG 126 Cb -0.10 -0.13 -0.03 0.00 -1.56 0.00 0.00 34.95 33.13 1psu s ARG 126 CO 0.01 -0.25 -0.12 0.20 -0.81 0.00 0.00 175.30 174.33 1psu s GLY 127 N 1.99 0.87 -0.14 8.12 0.00 -0.71 0.21 107.32 117.64 1psu s GLY 127 Ca -0.02 -1.09 -0.04 0.00 0.00 0.00 0.00 44.72 43.57 1psu s GLY 127 CO -0.08 -1.15 -0.02 1.25 0.00 0.00 0.00 173.10 173.11 1psu s LYS 128 N -2.24 3.55 0.24 2.90 2.20 0.78 -1.73 119.74 125.43 1psu s LYS 128 Ca 0.02 -0.48 0.07 0.00 -0.36 0.00 0.00 55.97 55.22 1psu s LYS 128 Cb -0.07 -2.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.30 1psu s LYS 128 CO 0.02 0.35 0.22 -1.54 -0.36 0.00 0.00 175.35 174.03 1psu s SER 129 N 0.08 5.64 -0.04 1.43 1.04 0.52 -1.32 113.70 121.05 1psu s SER 129 Ca 0.01 -0.19 -0.02 0.00 0.48 0.00 0.00 55.95 56.23 1psu s SER 129 Cb -0.13 -1.48 0.03 0.00 0.10 0.00 0.00 66.02 64.54 1psu s SER 129 CO 0.02 -0.03 0.05 -2.28 0.98 0.00 0.00 173.24 171.98 1psu s HIS 130 N -2.08 0.09 0.40 5.02 2.46 0.57 -2.25 115.29 119.50 1psu s HIS 130 Ca 0.33 0.22 -0.24 0.00 0.47 0.00 0.00 55.06 55.83 1psu s HIS 130 Cb -0.08 -0.47 -0.09 0.00 -0.13 0.00 0.00 32.58 31.82 1psu s HIS 130 CO 0.25 -0.18 1.08 1.03 -2.47 0.00 0.00 174.74 174.45 1psu s ARG 131 N 2.01 4.13 -0.13 2.88 0.52 -0.77 -0.80 118.95 126.81 1psu s ARG 131 Ca 0.03 1.61 0.00 0.00 -0.52 0.00 0.00 55.73 56.85 1psu s ARG 131 Cb -0.12 -2.59 0.02 0.00 0.52 0.00 0.00 34.95 32.78 1psu s ARG 131 CO -0.03 -0.19 -0.11 0.42 0.02 0.00 0.00 175.30 175.41 1psu s ILE 132 N -1.57 1.28 0.00 1.52 1.01 0.06 -4.92 121.20 118.58 1psu s ILE 132 Ca 0.57 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1psu s ILE 132 Cb -0.25 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1psu s ILE 132 CO 0.31 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.27 1psu n GLY 133 N 4.82 0.75 0.00 6.18 0.00 -1.26 -4.55 105.19 111.13 1psu n GLY 133 Ca -0.15 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1psu n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1psu n GLY 134 N 0.00 2.21 3.86 -0.02 0.00 -1.26 -4.95 105.19 105.03 1psu n GLY 134 Ca 0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1psu n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1psu s THR 135 N 3.19 4.78 1.08 2.61 2.01 -1.26 -0.87 115.64 127.19 1psu s THR 135 Ca 0.00 0.72 -0.16 0.00 0.31 0.00 0.00 61.69 62.57 1psu s THR 135 Cb 0.00 -3.63 0.13 0.00 0.01 0.00 0.00 72.50 69.01 1psu s THR 135 CO 0.00 -0.20 0.39 2.30 -0.69 0.00 0.00 174.62 176.42 1psu n ILE 136 N -0.44 0.00 0.02 1.82 -5.35 -1.25 -4.60 119.36 109.56 1psu n ILE 136 Ca 0.02 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1psu n ILE 136 Cb 0.53 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 37.71 1psu n ILE 136 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14