#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfx n ASN 2 N 0.00 -6.48 0.00 2.98 4.13 -1.26 -4.98 115.26 109.65 1pfx n ASN 2 Ca 0.00 -0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.19 1pfx n ASN 2 Cb 0.00 -4.34 0.00 0.00 -1.54 0.00 0.00 39.78 33.90 1pfx n ASN 2 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1pfx n SER 3 N -1.63 0.00 0.00 6.41 3.41 -1.26 -5.06 113.62 115.49 1pfx n SER 3 Ca -0.00 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 1pfx n SER 3 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1pfx n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pfx n GLY 4 N 0.00 1.69 3.10 5.00 0.00 -1.26 -5.04 105.19 108.69 1pfx n GLY 4 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1pfx n GLY 4 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pfx s LYS 5 N 0.05 0.46 0.48 1.61 2.20 -1.26 -5.29 119.74 118.00 1pfx s LYS 5 Ca 0.00 0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.75 1pfx s LYS 5 Cb 0.00 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 1pfx s LYS 5 CO 0.00 -0.76 0.00 1.28 -0.36 0.00 0.00 175.35 175.51 1pfx n LEU 6 N 4.80 -1.25 0.00 5.43 4.32 -1.26 -5.14 117.00 123.91 1pfx n LEU 6 Ca 0.08 2.22 0.00 0.00 -0.02 0.00 0.00 56.01 58.29 1pfx n LEU 6 Cb 0.57 -2.34 0.00 0.00 -1.62 0.00 0.00 43.42 40.04 1pfx n LEU 6 CO -0.08 -0.85 0.00 0.49 -1.22 0.00 0.00 177.39 175.73 1pfx n PHE 9 N -2.67 0.00 -4.23 -1.77 3.01 -1.26 -5.13 117.46 105.41 1pfx n PHE 9 Ca -0.01 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.13 1pfx n PHE 9 Cb 0.42 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.80 1pfx n PHE 9 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1pfx s VAL 10 N -2.97 3.96 0.23 -4.37 1.01 -1.26 -5.07 120.40 111.94 1pfx s VAL 10 Ca 0.00 -0.86 -0.32 0.00 0.00 0.00 0.00 61.98 60.81 1pfx s VAL 10 Cb 0.00 -2.83 -0.12 0.00 0.00 0.00 0.00 36.38 33.43 1pfx s VAL 10 CO 0.00 0.24 1.60 -1.14 0.00 0.00 0.00 175.10 175.80 1pfx n ARG 11 N 0.97 2.52 -1.72 2.72 0.63 -1.26 -4.86 116.66 115.67 1pfx n ARG 11 Ca -0.13 0.90 -0.43 0.00 -0.92 0.00 0.00 57.85 57.28 1pfx n ARG 11 Cb 0.52 -2.68 -0.02 0.00 0.45 0.00 0.00 32.46 30.73 1pfx n ARG 11 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pfx n GLY 12 N 2.96 0.99 2.76 5.14 0.00 -1.26 -4.97 105.19 110.82 1pfx n GLY 12 Ca 0.13 0.42 -0.30 0.00 0.00 0.00 0.00 46.02 46.27 1pfx n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pfx s ASN 13 N 0.19 3.92 -0.50 1.61 3.84 -1.26 -4.85 114.94 117.88 1pfx s ASN 13 Ca 0.62 -2.30 -0.04 0.00 0.21 0.00 0.00 52.86 51.35 1pfx s ASN 13 Cb -0.56 -1.08 -0.06 0.00 -0.55 0.00 0.00 41.25 39.00 1pfx s ASN 13 CO 0.54 -0.32 1.89 -0.11 -2.79 0.00 0.00 177.10 176.30 1pfx n LEU 14 N 3.99 3.44 0.00 3.21 7.94 -1.26 -4.68 117.00 129.63 1pfx n LEU 14 Ca 0.05 -2.26 0.00 0.00 -1.11 0.00 0.00 56.01 52.69 1pfx n LEU 14 Cb 0.37 -0.87 0.00 0.00 0.53 0.00 0.00 43.42 43.45 1pfx n LEU 14 CO 0.21 0.31 0.00 -1.14 -1.11 0.00 0.00 177.39 175.66 1pfx n ARG 16 N 3.88 0.00 0.00 1.96 0.63 -1.26 -4.15 116.66 117.72 1pfx n ARG 16 Ca 0.30 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.23 1pfx n ARG 16 Cb 0.20 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.11 1pfx n ARG 16 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pfx s ILE 19 N 0.00 3.92 -0.15 0.00 1.01 -1.26 -0.46 121.20 124.26 1pfx s ILE 19 Ca 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 60.65 57.88 1pfx s ILE 19 Cb 0.00 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 1pfx s ILE 19 CO 0.00 -0.87 -0.05 -0.54 0.00 0.00 0.00 174.94 173.48 1pfx s LYS 22 N 0.18 3.61 0.41 2.79 1.02 -1.26 -5.24 119.74 121.24 1pfx s LYS 22 Ca 0.15 -0.55 0.05 0.00 0.02 0.00 0.00 55.97 55.64 1pfx s LYS 22 Cb -0.20 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 1pfx s LYS 22 CO -0.04 0.21 0.58 0.00 -0.92 0.00 0.00 175.35 175.18 1pfx s SER 24 N -4.27 2.28 -1.26 0.00 0.01 -1.26 -4.96 113.70 104.24 1pfx s SER 24 Ca 0.50 0.33 -0.17 0.00 1.31 0.00 0.00 55.95 57.92 1pfx s SER 24 Cb -0.10 -0.39 0.09 0.00 0.21 0.00 0.00 66.02 65.83 1pfx s SER 24 CO 0.34 -3.25 1.65 0.12 0.41 0.00 0.00 173.24 172.51 1pfx s PHE 25 N -3.64 2.94 0.00 2.43 2.19 -1.26 -4.76 117.98 115.88 1pfx s PHE 25 Ca 0.74 -1.71 0.00 0.00 0.33 0.00 0.00 56.93 56.29 1pfx s PHE 25 Cb -0.05 -4.65 0.00 0.00 -1.31 0.00 0.00 43.02 37.01 1pfx s PHE 25 CO 0.54 -1.72 0.00 0.00 1.83 0.00 0.00 175.22 175.87 1pfx n ALA 28 N 7.78 0.00 0.94 11.12 0.00 -1.26 -5.00 120.51 134.09 1pfx n ALA 28 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.89 1pfx n ALA 28 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.91 1pfx n ALA 28 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1pfx n ARG 29 N -0.40 1.04 0.00 0.00 0.63 -1.26 -1.56 116.66 115.11 1pfx n ARG 29 Ca 0.00 -0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1pfx n ARG 29 Cb 0.00 -1.07 0.00 0.00 0.45 0.00 0.00 32.46 31.84 1pfx n ARG 29 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1pfx n VAL 31 N 0.42 0.00 0.00 5.15 0.31 -1.26 -4.80 118.33 118.15 1pfx n VAL 31 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1pfx n VAL 31 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 1pfx n VAL 31 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1pfx n PHE 32 N 0.00 0.00 -0.30 3.52 3.72 -0.60 -4.95 117.46 118.84 1pfx n PHE 32 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1pfx n PHE 32 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1pfx n PHE 32 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1pfx n ASN 34 N 0.00 0.00 -3.29 4.37 5.03 -1.26 -5.07 115.26 115.05 1pfx n ASN 34 Ca 0.00 0.20 -0.31 0.00 0.87 0.00 0.00 54.58 55.34 1pfx n ASN 34 Cb 0.00 -0.30 -0.03 0.00 -1.02 0.00 0.00 39.78 38.42 1pfx n ASN 34 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1pfx n THR 35 N 0.30 3.69 0.00 3.41 -2.24 -1.26 -2.94 114.28 115.24 1pfx n THR 35 Ca 0.00 -5.61 0.00 0.00 -2.27 0.00 0.00 64.05 56.17 1pfx n THR 35 Cb 0.00 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 66.57 1pfx n THR 35 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pfx n LYS 37 N 0.20 0.00 0.05 -0.78 5.02 -1.26 -2.82 118.16 118.57 1pfx n LYS 37 Ca 0.33 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.46 1pfx n LYS 37 Cb 0.37 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.31 1pfx n LYS 37 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1pfx h THR 38 N 0.00 1.35 0.00 -0.18 2.02 -1.92 -2.63 112.91 111.55 1pfx h THR 38 Ca 0.00 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.84 1pfx h THR 38 Cb 0.00 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1pfx h THR 38 CO 0.00 0.71 0.00 -3.20 0.37 0.00 0.00 175.52 173.40 1pfx n ASN 39 N -3.80 0.00 0.00 4.18 2.85 -1.13 -2.26 115.26 115.10 1pfx n ASN 39 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1pfx n ASN 39 Cb 0.84 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.86 1pfx n ASN 39 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1pfx n PHE 41 N -0.33 0.00 0.00 1.20 7.35 -0.99 -2.29 117.46 122.41 1pfx n PHE 41 Ca 0.00 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1pfx n PHE 41 Cb 0.00 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 39.83 1pfx n PHE 41 CO 0.00 0.00 0.00 2.35 -0.76 0.00 0.00 176.76 178.35 1pfx h TRP 42 N 0.00 -0.01 0.00 -5.13 2.91 -1.72 -3.29 115.95 108.71 1pfx h TRP 42 Ca 0.00 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1pfx h TRP 42 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1pfx h TRP 42 CO 0.00 -0.01 0.11 0.36 -1.03 0.00 0.00 178.44 177.87 1pfx n LYS 43 N -2.09 0.00 0.05 2.65 2.85 -0.97 -0.95 118.16 119.70 1pfx n LYS 43 Ca -0.00 0.34 0.08 0.00 -1.05 0.00 0.00 58.31 57.68 1pfx n LYS 43 Cb 0.00 -1.61 -0.07 0.00 -0.65 0.00 0.00 35.03 32.71 1pfx n LYS 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pfx n GLN 44 N -1.33 0.63 -0.04 -1.58 10.64 -1.25 -4.48 117.38 119.96 1pfx n GLN 44 Ca 0.00 0.05 -0.15 0.00 -1.83 0.00 0.00 57.00 55.07 1pfx n GLN 44 Cb 0.11 -1.73 -0.08 0.00 -0.86 0.00 0.00 30.24 27.68 1pfx n GLN 44 CO 0.00 0.00 0.00 -0.92 -1.83 0.00 0.00 177.06 174.31 1pfx h TYR 45 N 0.00 0.67 0.00 2.61 5.03 -1.11 -3.47 116.97 120.70 1pfx h TYR 45 Ca -0.06 -0.26 0.00 0.00 2.58 0.00 0.00 58.73 60.99 1pfx h TYR 45 Cb 1.17 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.34 1pfx h TYR 45 CO 0.00 1.01 0.00 0.28 -1.32 0.00 0.00 178.16 178.13 1pfx n VAL 46 N -4.30 0.00 -1.79 1.81 0.31 -1.25 -5.05 118.33 108.06 1pfx n VAL 46 Ca -0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 1pfx n VAL 46 Cb 0.54 -0.10 -0.03 0.00 -0.91 0.00 0.00 33.84 33.33 1pfx n VAL 46 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1pfx s ASP 47 N 1.00 6.35 -0.55 4.52 2.15 -1.26 -3.61 116.67 125.26 1pfx s ASP 47 Ca 0.00 2.34 -0.14 0.00 0.43 0.00 0.00 52.55 55.18 1pfx s ASP 47 Cb 0.00 -2.53 -0.14 0.00 -0.30 0.00 0.00 42.92 39.95 1pfx s ASP 47 CO 0.00 -1.18 1.41 0.61 -0.17 0.00 0.00 175.17 175.84 1pfx n GLY 48 N 4.64 -0.27 3.42 2.66 0.00 -1.26 -4.39 105.19 109.99 1pfx n GLY 48 Ca 0.21 0.48 -0.47 0.00 0.00 0.00 0.00 46.02 46.23 1pfx n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pfx n ASP 49 N 5.08 0.46 0.11 1.61 8.00 -1.24 -4.65 116.55 125.92 1pfx n ASP 49 Ca 0.37 0.33 0.07 0.00 0.71 0.00 0.00 54.79 56.26 1pfx n ASP 49 Cb 0.03 -0.92 0.36 0.00 -0.02 0.00 0.00 41.12 40.57 1pfx n ASP 49 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1pfx n GLN 50 N 8.19 0.09 0.00 -1.24 7.27 -1.26 0.17 117.38 130.60 1pfx n GLN 50 Ca 0.62 0.57 0.00 0.00 0.07 0.00 0.00 57.00 58.26 1pfx n GLN 50 Cb 0.01 -1.82 0.00 0.00 2.41 0.00 0.00 30.24 30.84 1pfx n GLN 50 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pfx n GLU 52 N -0.29 0.42 -3.14 0.00 2.13 0.46 -2.91 120.64 117.31 1pfx n GLU 52 Ca 0.00 0.15 -0.09 0.00 0.66 0.00 0.00 57.16 57.88 1pfx n GLU 52 Cb 0.08 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.49 1pfx n GLU 52 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1pfx n PRO 53 N 0.89 -0.55 0.00 5.31 -0.02 -1.26 -4.13 135.00 135.24 1pfx n PRO 53 Ca 0.13 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1pfx n PRO 53 Cb 0.33 -0.47 0.00 0.00 -0.02 0.00 0.00 33.50 33.34 1pfx n PRO 53 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1pfx n ASN 54 N -0.28 0.00 0.06 2.55 5.15 -1.15 -4.90 115.26 116.69 1pfx n ASN 54 Ca -0.08 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.78 1pfx n ASN 54 Cb 0.19 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.35 1pfx n ASN 54 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1pfx h PRO 55 N 0.27 -0.18 -6.28 1.20 0.13 -1.82 -3.42 132.00 121.92 1pfx h PRO 55 Ca 0.00 0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.60 1pfx h PRO 55 Cb 0.00 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.17 1pfx h PRO 55 CO 0.00 0.23 1.15 0.00 -0.23 0.00 0.00 178.00 179.15 1pfx n LEU 57 N 7.63 0.00 -3.87 0.00 -0.00 -1.11 -4.02 117.00 115.63 1pfx n LEU 57 Ca 0.19 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.93 1pfx n LEU 57 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1pfx n LEU 57 CO 0.64 -0.15 -0.18 0.59 -0.00 0.00 0.00 177.39 178.30 1pfx n ASN 58 N -0.89 -1.70 -0.53 1.45 3.02 -1.26 -0.61 115.26 114.74 1pfx n ASN 58 Ca 0.00 -1.00 -0.07 0.00 -0.03 0.00 0.00 54.58 53.48 1pfx n ASN 58 Cb 0.00 -3.19 -0.03 0.00 -0.61 0.00 0.00 39.78 35.95 1pfx n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pfx n GLY 59 N -1.88 0.65 3.75 7.41 0.00 -1.26 -4.93 105.19 108.94 1pfx n GLY 59 Ca -0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1pfx n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pfx s GLY 60 N -2.23 2.89 -0.42 -0.02 0.00 0.22 -4.89 107.32 102.87 1pfx s GLY 60 Ca 0.00 1.33 -0.16 0.00 0.00 0.00 0.00 44.72 45.89 1pfx s GLY 60 CO 0.00 1.86 0.37 1.08 0.00 0.00 0.00 173.10 176.41 1pfx s LEU 61 N -3.35 4.99 0.09 0.66 1.43 0.17 -4.76 118.68 117.90 1pfx s LEU 61 Ca 0.69 -0.79 -0.27 0.00 -1.03 0.00 0.00 54.13 52.73 1pfx s LEU 61 Cb -0.40 -2.28 -0.06 0.00 0.03 0.00 0.00 46.19 43.48 1pfx s LEU 61 CO 0.48 -0.52 0.85 0.00 0.23 0.00 0.00 176.35 177.39 1pfx s LYS 63 N -0.17 1.43 0.05 0.00 2.20 -1.09 -5.00 119.74 117.16 1pfx s LYS 63 Ca 0.42 -1.67 -0.26 0.00 -0.36 0.00 0.00 55.97 54.09 1pfx s LYS 63 Cb -0.22 -1.18 0.09 0.00 -1.51 0.00 0.00 37.83 35.01 1pfx s LYS 63 CO 0.26 0.14 1.21 0.34 -0.36 0.00 0.00 175.35 176.94 1pfx s ASP 65 N -3.38 0.00 0.10 1.43 -1.08 0.01 -1.27 116.67 112.49 1pfx s ASP 65 Ca 0.26 -0.35 -0.33 0.00 -0.52 0.00 0.00 52.55 51.60 1pfx s ASP 65 Cb 0.01 0.26 -0.13 0.00 -1.46 0.00 0.00 42.92 41.60 1pfx s ASP 65 CO 0.09 -0.52 1.57 0.40 0.52 0.00 0.00 175.17 177.24 1pfx h ILE 66 N 2.00 0.08 0.00 4.11 2.04 -1.93 -3.38 117.51 120.42 1pfx h ILE 66 Ca -0.24 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1pfx h ILE 66 Cb 1.20 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1pfx h ILE 66 CO 0.33 0.00 -0.88 0.59 0.00 0.00 0.00 178.15 178.19 1pfx n ASN 67 N -5.49 1.88 -0.22 1.72 4.13 -1.26 -4.95 115.26 111.07 1pfx n ASN 67 Ca -0.09 0.46 0.00 0.00 1.68 0.00 0.00 54.58 56.63 1pfx n ASN 67 Cb 0.41 -0.81 0.00 0.00 -1.54 0.00 0.00 39.78 37.84 1pfx n ASN 67 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1pfx n SER 68 N -4.51 0.00 -3.64 6.41 3.41 -1.26 -4.91 113.62 109.11 1pfx n SER 68 Ca -0.14 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.45 1pfx n SER 68 Cb 0.44 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 1pfx n SER 68 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1pfx s TYR 69 N 2.62 -0.03 0.00 7.33 1.13 -1.26 -0.81 117.35 126.33 1pfx s TYR 69 Ca 0.00 0.04 0.00 0.00 -1.41 0.00 0.00 57.07 55.70 1pfx s TYR 69 Cb 0.00 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.36 1pfx s TYR 69 CO 0.00 -0.04 0.00 -0.85 -2.51 0.00 0.00 175.55 172.15 1pfx n GLU 70 N 0.21 1.35 -3.69 -3.49 0.28 -0.40 -4.96 120.64 109.95 1pfx n GLU 70 Ca 0.03 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.92 1pfx n GLU 70 Cb 0.58 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.34 1pfx n GLU 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pfx s TRP 72 N 1.67 3.30 -1.02 0.00 0.52 -0.56 -4.94 118.94 117.92 1pfx s TRP 72 Ca -0.08 0.28 0.15 0.00 0.02 0.00 0.00 56.10 56.47 1pfx s TRP 72 Cb -0.09 -2.36 0.46 0.00 -1.15 0.00 0.00 33.47 30.32 1pfx s TRP 72 CO -0.12 -0.03 1.38 0.00 0.02 0.00 0.00 176.95 178.20 1pfx n GLN 74 N 0.64 0.00 -3.88 0.00 6.02 -1.26 -4.60 117.38 114.30 1pfx n GLN 74 Ca 0.17 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 57.05 1pfx n GLN 74 Cb 0.60 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.75 1pfx n GLN 74 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1pfx s VAL 75 N 0.00 0.08 -0.01 5.09 0.11 -1.26 -4.88 120.40 119.53 1pfx s VAL 75 Ca 0.00 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 1pfx s VAL 75 Cb 0.00 -0.38 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 1pfx s VAL 75 CO 0.00 -0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.04 1pfx n GLY 76 N 1.68 0.44 2.90 6.54 0.00 -1.26 -5.01 105.19 110.49 1pfx n GLY 76 Ca -0.21 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 1pfx n GLY 76 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pfx s PHE 77 N -1.88 -0.12 0.44 1.61 0.08 -1.26 -1.91 117.98 114.92 1pfx s PHE 77 Ca 0.00 0.40 0.06 0.00 0.12 0.00 0.00 56.93 57.50 1pfx s PHE 77 Cb 0.00 -0.10 -0.06 0.00 -0.57 0.00 0.00 43.02 42.30 1pfx s PHE 77 CO 0.00 -0.14 0.03 -2.00 -0.10 0.00 0.00 175.22 173.01 1pfx s GLU 78 N 1.03 2.05 0.00 0.44 2.56 0.28 -4.69 118.70 120.37 1pfx s GLU 78 Ca -0.08 -2.15 0.00 0.00 0.00 0.00 0.00 54.97 52.73 1pfx s GLU 78 Cb -0.11 -1.66 0.00 0.00 2.00 0.00 0.00 34.13 34.37 1pfx s GLU 78 CO -0.05 -0.14 0.00 0.41 -0.56 0.00 0.00 175.26 174.92 1pfx n GLY 79 N -1.08 0.58 0.13 -1.50 0.00 -1.26 -1.67 105.19 100.38 1pfx n GLY 79 Ca -0.08 -1.51 0.03 0.00 0.00 0.00 0.00 46.02 44.47 1pfx n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pfx n LYS 80 N 1.01 0.05 -0.35 1.61 5.02 -1.26 0.63 118.16 124.86 1pfx n LYS 80 Ca 0.00 0.46 0.05 0.00 -2.02 0.00 0.00 58.31 56.79 1pfx n LYS 80 Cb 0.00 -2.08 0.07 0.00 -0.02 0.00 0.00 35.03 33.00 1pfx n LYS 80 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1pfx n ASN 81 N -1.77 1.09 -4.09 4.39 4.13 -1.26 -4.41 115.26 113.34 1pfx n ASN 81 Ca -0.00 -2.52 -0.33 0.00 1.68 0.00 0.00 54.58 53.40 1pfx n ASN 81 Cb 0.43 -0.31 -0.03 0.00 -1.54 0.00 0.00 39.78 38.33 1pfx n ASN 81 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pfx n GLU 83 N -4.59 0.60 -2.51 0.00 4.71 -1.02 -4.34 120.64 113.49 1pfx n GLU 83 Ca -0.25 0.18 -0.36 0.00 -0.01 0.00 0.00 57.16 56.72 1pfx n GLU 83 Cb 0.65 -1.48 -0.04 0.00 -1.01 0.00 0.00 31.44 29.57 1pfx n GLU 83 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1pfx s LEU 84 N -6.82 4.08 0.25 -4.62 1.43 -0.67 -4.89 118.68 107.43 1pfx s LEU 84 Ca -0.35 2.05 -0.13 0.00 -1.03 0.00 0.00 54.13 54.67 1pfx s LEU 84 Cb 0.11 -4.25 -0.08 0.00 0.03 0.00 0.00 46.19 42.00 1pfx s LEU 84 CO 0.54 -0.59 0.64 -1.81 0.23 0.00 0.00 176.35 175.36 1pfx s ASP 85 N -1.61 6.76 -0.12 2.29 1.11 -1.26 0.10 116.67 123.94 1pfx s ASP 85 Ca 0.60 1.13 -0.29 0.00 0.18 0.00 0.00 52.55 54.18 1pfx s ASP 85 Cb -0.22 -2.31 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 1pfx s ASP 85 CO 0.27 -0.09 0.97 0.00 1.18 0.00 0.00 175.17 177.51 1pfx s ALA 86 N -1.80 3.43 -0.06 5.23 0.00 -0.81 -4.39 121.76 123.37 1pfx s ALA 86 Ca 0.48 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.77 1pfx s ALA 86 Cb -0.12 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1pfx s ALA 86 CO 0.19 -0.61 -0.10 0.95 0.00 0.00 0.00 175.76 176.20 1pfx s THR 87 N 2.03 3.45 -0.42 0.00 -4.23 -1.26 -2.89 115.64 112.32 1pfx s THR 87 Ca 0.46 -0.59 0.01 0.00 -1.18 0.00 0.00 61.69 60.39 1pfx s THR 87 Cb -0.18 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 71.28 1pfx s THR 87 CO 0.17 0.59 0.75 0.00 -0.54 0.00 0.00 174.62 175.59 1pfx n ASN 89 N -1.27 0.34 -4.52 0.00 6.94 -1.26 -3.77 115.26 111.72 1pfx n ASN 89 Ca -0.00 0.15 -0.43 0.00 -0.02 0.00 0.00 54.58 54.28 1pfx n ASN 89 Cb 0.28 0.97 -0.06 0.00 -2.36 0.00 0.00 39.78 38.61 1pfx n ASN 89 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1pfx s ILE 90 N -2.97 4.73 -1.09 1.53 -4.36 -0.93 -4.36 121.20 113.76 1pfx s ILE 90 Ca -0.07 0.15 -0.16 0.00 -0.26 0.00 0.00 60.65 60.31 1pfx s ILE 90 Cb 0.09 -4.29 -0.02 0.00 1.25 0.00 0.00 42.46 39.49 1pfx s ILE 90 CO 0.84 -0.72 0.81 0.29 0.24 0.00 0.00 174.94 176.40 1pfx n LYS 91 N 6.53 -1.42 -0.83 0.37 4.76 -1.26 -2.42 118.16 123.89 1pfx n LYS 91 Ca -0.01 0.61 -0.04 0.00 -2.87 0.00 0.00 58.31 56.00 1pfx n LYS 91 Cb 0.48 -4.47 -0.02 0.00 -1.84 0.00 0.00 35.03 29.18 1pfx n LYS 91 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1pfx n ASN 92 N -2.72 -1.82 -0.02 4.39 5.15 -1.26 -0.40 115.26 118.58 1pfx n ASN 92 Ca -0.09 0.10 -0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1pfx n ASN 92 Cb 0.59 -1.71 -0.00 0.00 -0.53 0.00 0.00 39.78 38.14 1pfx n ASN 92 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pfx n GLY 93 N 0.06 0.39 2.94 8.20 0.00 -1.01 -2.87 105.19 112.89 1pfx n GLY 93 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1pfx n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfx n ARG 94 N -2.01 0.00 -2.81 1.61 5.12 0.46 -4.71 116.66 114.33 1pfx n ARG 94 Ca -0.00 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.53 1pfx n ARG 94 Cb 0.13 -2.02 -0.06 0.00 -1.16 0.00 0.00 32.46 29.35 1pfx n ARG 94 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pfx h LYS 96 N 3.90 0.00 0.00 0.00 1.63 -0.29 -3.45 116.57 118.37 1pfx h LYS 96 Ca -0.46 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1pfx h LYS 96 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1pfx h LYS 96 CO 0.67 0.00 0.00 1.04 -3.45 0.00 0.00 179.45 177.71 1pfx n GLN 97 N -2.42 0.00 -4.75 1.90 6.02 -1.26 -4.96 117.38 111.91 1pfx n GLN 97 Ca 0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.70 1pfx n GLN 97 Cb 0.39 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.52 1pfx n GLN 97 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1pfx s PHE 98 N 0.63 2.82 0.01 1.08 0.08 -0.62 -4.96 117.98 117.01 1pfx s PHE 98 Ca 0.00 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 56.68 1pfx s PHE 98 Cb 0.00 -1.79 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 1pfx s PHE 98 CO 0.00 -0.03 -0.11 0.00 -0.10 0.00 0.00 175.22 174.98 1pfx s LYS 100 N -0.61 0.10 0.66 0.00 1.02 -0.78 -4.96 119.74 115.18 1pfx s LYS 100 Ca 0.02 0.03 -0.12 0.00 0.02 0.00 0.00 55.97 55.92 1pfx s LYS 100 Cb -0.06 0.05 -0.01 0.00 -0.52 0.00 0.00 37.83 37.29 1pfx s LYS 100 CO 0.00 -0.02 1.05 0.99 -0.92 0.00 0.00 175.35 176.46 1pfx s THR 101 N -0.11 4.07 0.00 2.17 2.01 -1.26 -2.59 115.64 119.92 1pfx s THR 101 Ca -0.02 0.74 0.00 0.00 0.31 0.00 0.00 61.69 62.73 1pfx s THR 101 Cb -0.01 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1pfx s THR 101 CO 0.00 -0.81 0.00 0.61 -0.69 0.00 0.00 174.62 173.73 1pfx n GLY 102 N -1.85 2.20 4.66 4.40 0.00 -1.25 -4.96 105.19 108.38 1pfx n GLY 102 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1pfx n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfx n ALA 103 N -0.46 0.00 -2.20 4.61 0.00 -1.26 -4.46 120.51 116.74 1pfx n ALA 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pfx n ALA 103 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1pfx n ALA 103 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pfx n ASP 104 N 0.00 0.98 0.00 0.00 5.68 -1.26 -5.07 116.55 116.88 1pfx n ASP 104 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1pfx n ASP 104 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1pfx n ASP 104 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1pfx n SER 105 N 0.00 0.98 -4.85 -1.12 7.64 -1.26 -5.05 113.62 109.96 1pfx n SER 105 Ca 0.00 -0.25 -0.32 0.00 1.01 0.00 0.00 58.87 59.32 1pfx n SER 105 Cb 0.00 0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 63.86 1pfx n SER 105 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1pfx s LYS 106 N -0.89 3.90 1.30 1.43 -2.85 -1.26 -4.79 119.74 116.58 1pfx s LYS 106 Ca 0.00 0.85 -0.19 0.00 -1.00 0.00 0.00 55.97 55.62 1pfx s LYS 106 Cb 0.00 -2.19 0.32 0.00 -2.06 0.00 0.00 37.83 33.91 1pfx s LYS 106 CO 0.00 -0.23 1.00 0.14 0.10 0.00 0.00 175.35 176.36 1pfx s VAL 107 N -2.59 1.50 -0.30 1.79 -7.23 -1.14 -3.90 120.40 108.53 1pfx s VAL 107 Ca 0.57 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.68 1pfx s VAL 107 Cb -0.10 -2.20 0.17 0.00 0.56 0.00 0.00 36.38 34.81 1pfx s VAL 107 CO 0.32 0.00 0.71 -0.22 -0.31 0.00 0.00 175.10 175.60 1pfx s LEU 108 N -7.43 -1.14 0.83 1.32 2.96 -1.07 -4.91 118.68 109.24 1pfx s LEU 108 Ca 0.69 0.94 -0.09 0.00 -0.22 0.00 0.00 54.13 55.44 1pfx s LEU 108 Cb -0.15 2.05 0.15 0.00 0.50 0.00 0.00 46.19 48.73 1pfx s LEU 108 CO 0.59 -0.21 1.16 0.00 -1.32 0.00 0.00 176.35 176.56 1pfx s SER 110 N -4.76 -0.04 0.13 0.00 1.04 0.12 -4.91 113.70 105.28 1pfx s SER 110 Ca 0.68 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 56.61 1pfx s SER 110 Cb -0.06 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 1pfx s SER 110 CO 0.49 -0.76 0.12 0.00 0.98 0.00 0.00 173.24 174.06 1pfx s THR 112 N -4.02 4.34 -0.15 0.00 -4.23 -1.26 -4.89 115.64 105.43 1pfx s THR 112 Ca 0.21 0.76 -0.38 0.00 -1.18 0.00 0.00 61.69 61.09 1pfx s THR 112 Cb 0.06 -3.67 -0.15 0.00 1.34 0.00 0.00 72.50 70.08 1pfx s THR 112 CO 0.00 -0.99 1.66 0.35 -0.54 0.00 0.00 174.62 175.10 1pfx n THR 113 N -2.91 0.25 0.00 3.99 -2.24 -1.26 -1.23 114.28 110.88 1pfx n THR 113 Ca 0.07 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1pfx n THR 113 Cb 0.54 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 1pfx n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pfx n GLY 114 N 3.78 2.37 3.96 3.38 0.00 -1.26 -4.57 105.19 112.85 1pfx n GLY 114 Ca 0.24 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 1pfx n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pfx s TYR 115 N -0.27 3.35 0.12 1.61 1.51 -0.37 0.10 117.35 123.40 1pfx s TYR 115 Ca 0.00 -0.07 0.05 0.00 -1.01 0.00 0.00 57.07 56.04 1pfx s TYR 115 Cb 0.00 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 1pfx s TYR 115 CO 0.00 0.36 -0.13 -0.98 -1.11 0.00 0.00 175.55 173.69 1pfx s ARG 116 N -4.01 0.99 -0.11 -0.62 1.70 0.18 -4.69 118.95 112.39 1pfx s ARG 116 Ca 0.36 -1.24 -0.30 0.00 -0.47 0.00 0.00 55.73 54.08 1pfx s ARG 116 Cb -0.09 -0.82 -0.02 0.00 -0.57 0.00 0.00 34.95 33.46 1pfx s ARG 116 CO 0.29 0.15 1.16 -1.17 -1.08 0.00 0.00 175.30 174.64 1pfx s LEU 117 N -2.51 4.23 1.11 -1.89 2.96 -1.26 -0.84 118.68 120.48 1pfx s LEU 117 Ca 0.09 1.68 -0.12 0.00 -0.22 0.00 0.00 54.13 55.55 1pfx s LEU 117 Cb -0.04 -3.55 0.25 0.00 0.50 0.00 0.00 46.19 43.35 1pfx s LEU 117 CO 0.02 -0.61 1.05 0.00 -1.32 0.00 0.00 176.35 175.50 1pfx s ALA 118 N 2.58 -0.04 -0.03 5.97 0.00 0.52 -4.84 121.76 125.90 1pfx s ALA 118 Ca 0.53 -0.01 0.29 0.00 0.00 0.00 0.00 51.96 52.76 1pfx s ALA 118 Cb -0.22 -3.28 1.44 0.00 0.00 0.00 0.00 23.12 21.07 1pfx s ALA 118 CO 0.18 -3.59 1.88 -1.35 0.00 0.00 0.00 175.76 172.87 1pfx h PRO 119 N -2.45 0.00 0.00 0.00 0.11 -1.95 -1.57 132.00 126.14 1pfx h PRO 119 Ca -0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.53 1pfx h PRO 119 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1pfx h PRO 119 CO 0.49 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.88 1pfx n ASP 120 N -2.54 0.12 -0.45 -2.05 5.68 -1.26 -4.91 116.55 111.13 1pfx n ASP 120 Ca -0.01 0.51 -0.06 0.00 -0.50 0.00 0.00 54.79 54.74 1pfx n ASP 120 Cb 0.12 -0.55 -0.02 0.00 -1.14 0.00 0.00 41.12 39.53 1pfx n ASP 120 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pfx n GLN 121 N -1.62 -0.40 0.00 0.11 6.02 -0.59 -4.60 117.38 116.30 1pfx n GLN 121 Ca 0.06 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 1pfx n GLN 121 Cb 0.33 -4.42 0.00 0.00 1.02 0.00 0.00 30.24 27.17 1pfx n GLN 121 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1pfx n LYS 122 N -2.74 4.28 -3.41 -1.09 5.02 -1.26 -4.41 118.16 114.54 1pfx n LYS 122 Ca -0.06 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.05 1pfx n LYS 122 Cb 0.21 -0.48 -0.00 0.00 -0.02 0.00 0.00 35.03 34.74 1pfx n LYS 122 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1pfx s SER 123 N -0.26 5.90 -0.13 4.39 0.01 -1.26 0.49 113.70 122.84 1pfx s SER 123 Ca 0.00 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.05 1pfx s SER 123 Cb 0.00 -1.14 0.01 0.00 0.21 0.00 0.00 66.02 65.11 1pfx s SER 123 CO 0.00 -0.48 -0.19 0.00 0.41 0.00 0.00 173.24 172.98 1pfx s LYS 125 N 0.91 2.17 1.16 0.00 1.02 -0.02 -4.89 119.74 120.10 1pfx s LYS 125 Ca -0.06 -0.91 -0.17 0.00 0.02 0.00 0.00 55.97 54.85 1pfx s LYS 125 Cb -0.15 -2.20 0.19 0.00 -0.52 0.00 0.00 37.83 35.15 1pfx s LYS 125 CO -0.02 0.56 0.37 -2.30 -0.92 0.00 0.00 175.35 173.04 1pfx n PRO 126 N 1.93 -2.16 -2.65 -1.68 -0.02 -1.26 0.48 135.00 129.64 1pfx n PRO 126 Ca -0.16 -0.61 -0.02 0.00 -2.02 0.00 0.00 63.50 60.68 1pfx n PRO 126 Cb 0.52 -1.84 0.13 0.00 -0.02 0.00 0.00 33.50 32.29 1pfx n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pfx n ALA 127 N -4.72 2.92 -3.65 3.55 0.00 0.12 -4.37 120.51 114.36 1pfx n ALA 127 Ca 0.02 -1.01 0.01 0.00 0.00 0.00 0.00 53.44 52.45 1pfx n ALA 127 Cb 0.58 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 1pfx n ALA 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pfx s VAL 128 N 0.09 0.00 0.55 0.00 0.11 -1.25 -4.90 120.40 114.99 1pfx s VAL 128 Ca 0.09 0.00 0.35 0.00 -2.93 0.00 0.00 61.98 59.49 1pfx s VAL 128 Cb 0.44 -1.00 0.53 0.00 -1.53 0.00 0.00 36.38 34.82 1pfx s VAL 128 CO -0.13 0.00 1.79 1.55 -3.33 0.00 0.00 175.10 174.98 1pfx h PRO 129 N 5.29 0.00 -2.95 1.54 0.13 -1.97 -3.19 132.00 130.84 1pfx h PRO 129 Ca -0.27 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.25 1pfx h PRO 129 Cb 1.17 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.90 1pfx h PRO 129 CO 0.22 0.00 -0.72 -0.06 -0.23 0.00 0.00 178.00 177.21 1pfx s PHE 130 N -4.88 2.41 0.60 1.56 0.08 -1.26 -5.10 117.98 111.39 1pfx s PHE 130 Ca -0.05 -2.76 -0.16 0.00 0.12 0.00 0.00 56.93 54.08 1pfx s PHE 130 Cb 0.22 -2.05 -0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1pfx s PHE 130 CO 0.76 -0.72 1.09 -2.14 -0.10 0.00 0.00 175.22 174.11 1pfx s PRO 131 N -0.30 3.16 0.33 0.24 0.02 -1.21 -4.98 135.00 132.27 1pfx s PRO 131 Ca 0.22 1.34 -0.29 0.00 0.02 0.00 0.00 61.00 62.29 1pfx s PRO 131 Cb -0.14 -2.00 -0.11 0.00 0.02 0.00 0.00 34.50 32.28 1pfx s PRO 131 CO -0.08 -0.96 1.40 0.00 -0.33 0.00 0.00 177.00 177.03 1pfx n GLY 133 N 0.95 0.82 3.42 0.00 0.00 -1.26 -5.04 105.19 104.09 1pfx n GLY 133 Ca 0.02 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 1pfx n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pfx s ARG 134 N -2.32 3.53 -0.26 1.61 0.52 -1.25 -5.05 118.95 115.74 1pfx s ARG 134 Ca 0.00 -0.59 -0.29 0.00 -0.52 0.00 0.00 55.73 54.33 1pfx s ARG 134 Cb 0.00 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.59 1pfx s ARG 134 CO 0.00 0.15 1.76 0.54 0.02 0.00 0.00 175.30 177.77 1pfx s VAL 135 N 0.58 3.51 0.05 3.52 0.11 -1.26 -4.88 120.40 122.03 1pfx s VAL 135 Ca -0.04 0.54 -0.05 0.00 -2.93 0.00 0.00 61.98 59.50 1pfx s VAL 135 Cb -0.15 -3.59 -0.29 0.00 -1.53 0.00 0.00 36.38 30.82 1pfx s VAL 135 CO 0.03 -0.31 1.06 0.28 -3.33 0.00 0.00 175.10 172.83 1pfx h SER 136 N 12.04 0.47 -0.79 3.54 0.02 -1.99 -3.35 113.55 123.49 1pfx h SER 136 Ca -0.35 -0.53 0.01 0.00 -0.84 0.00 0.00 61.79 60.08 1pfx h SER 136 Cb 1.17 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.52 1pfx h SER 136 CO 1.01 1.42 0.52 -0.37 -1.14 0.00 0.00 176.83 178.26 1pfx h VAL 137 N 0.08 1.20 -0.27 2.27 -1.51 -1.91 -2.00 116.25 114.12 1pfx h VAL 137 Ca -0.17 -0.38 -0.02 0.00 -1.23 0.00 0.00 66.70 64.90 1pfx h VAL 137 Cb 2.01 0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 1pfx h VAL 137 CO 0.20 0.20 0.10 0.28 -1.23 0.00 0.00 177.57 177.12 1pfx h SER 138 N 1.07 0.38 0.26 4.19 0.02 -1.92 -3.26 113.55 114.30 1pfx h SER 138 Ca 0.29 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1pfx h SER 138 Cb -0.12 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1pfx h SER 138 CO -0.06 0.46 -0.13 0.45 -1.14 0.00 0.00 176.83 176.41 1pfx h HIS 139 N 0.28 -0.33 -2.54 3.45 -0.00 -1.65 -3.26 115.15 111.09 1pfx h HIS 139 Ca 0.09 -0.01 -0.52 0.00 -0.00 0.00 0.00 60.37 59.93 1pfx h HIS 139 Cb 0.21 0.11 0.04 0.00 -0.00 0.00 0.00 27.41 27.77 1pfx h HIS 139 CO -0.00 -0.14 1.11 -1.12 -0.00 0.00 0.00 177.93 177.78 1pfx s SER 140 N -4.96 6.41 -0.07 2.45 0.01 -0.77 -0.67 113.70 116.10 1pfx s SER 140 Ca -0.15 2.78 -0.19 0.00 1.31 0.00 0.00 55.95 59.70 1pfx s SER 140 Cb 0.04 -2.57 -0.29 0.00 0.21 0.00 0.00 66.02 63.41 1pfx s SER 140 CO 0.63 -1.01 0.74 1.55 0.41 0.00 0.00 173.24 175.56 1pfx h PRO 141 N 8.48 0.27 -0.09 12.44 0.13 -1.86 -3.42 132.00 147.96 1pfx h PRO 141 Ca -0.46 -0.46 -0.25 0.00 -0.87 0.00 0.00 66.00 63.96 1pfx h PRO 141 Cb 1.22 0.17 -0.16 0.00 0.13 0.00 0.00 31.00 32.36 1pfx h PRO 141 CO 0.95 1.22 -0.47 2.41 -0.23 0.00 0.00 178.00 181.88 1pfx n THR 142 N -4.04 -0.00 -4.23 1.56 -1.04 0.15 -5.14 114.28 101.54 1pfx n THR 142 Ca -0.19 -1.64 -0.11 0.00 -2.04 0.00 0.00 64.05 60.07 1pfx n THR 142 Cb 0.85 1.37 -0.03 0.00 -1.82 0.00 0.00 70.33 70.71 1pfx n THR 142 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1pfx n THR 143 N 0.26 0.00 -3.69 12.58 -2.24 0.02 -5.08 114.28 116.14 1pfx n THR 143 Ca 0.06 -1.00 -0.15 0.00 -2.27 0.00 0.00 64.05 60.70 1pfx n THR 143 Cb 0.71 0.33 -0.08 0.00 -2.10 0.00 0.00 70.33 69.19 1pfx n THR 143 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1pfx s LEU 144 N 0.00 0.33 -0.53 3.22 2.96 -1.23 -3.97 118.68 119.45 1pfx s LEU 144 Ca 0.07 0.41 -0.28 0.00 -0.22 0.00 0.00 54.13 54.11 1pfx s LEU 144 Cb 0.00 1.68 -0.00 0.00 0.50 0.00 0.00 46.19 48.37 1pfx s LEU 144 CO 0.05 -0.44 1.62 -0.89 -1.32 0.00 0.00 176.35 175.37 1pfx s THR 145 N -1.01 3.60 -2.35 3.68 2.01 -1.26 -5.05 115.64 115.25 1pfx s THR 145 Ca -0.10 0.49 0.29 0.00 0.31 0.00 0.00 61.69 62.68 1pfx s THR 145 Cb -0.03 -4.14 0.66 0.00 0.01 0.00 0.00 72.50 69.00 1pfx s THR 145 CO 0.05 -0.95 1.89 -2.11 -0.69 0.00 0.00 174.62 172.82