#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gwk s ARG 4 N 0.00 4.32 0.42 7.34 1.70 -1.26 -4.99 118.95 126.48 1gwk s ARG 4 Ca 0.00 1.67 -0.25 0.00 -0.47 0.00 0.00 55.73 56.68 1gwk s ARG 4 Cb 0.00 -3.61 -0.08 0.00 -0.57 0.00 0.00 34.95 30.69 1gwk s ARG 4 CO 0.00 -0.52 1.25 0.00 -1.08 0.00 0.00 175.30 174.95 1gwk s ALA 5 N 2.57 3.15 -0.28 7.88 0.00 -1.26 -5.00 121.76 128.82 1gwk s ALA 5 Ca 0.56 1.13 -0.13 0.00 0.00 0.00 0.00 51.96 53.51 1gwk s ALA 5 Cb -0.24 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1gwk s ALA 5 CO 0.20 -0.77 0.28 0.99 0.00 0.00 0.00 175.76 176.45 1gwk s THR 6 N -1.35 5.24 -0.21 0.00 2.01 -1.26 -4.93 115.64 115.15 1gwk s THR 6 Ca 0.59 0.33 -0.14 0.00 0.31 0.00 0.00 61.69 62.78 1gwk s THR 6 Cb -0.35 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1gwk s THR 6 CO 0.44 0.19 0.30 -0.31 -0.69 0.00 0.00 174.62 174.55 1gwk s TYR 7 N 1.90 3.37 -0.29 4.92 2.02 -1.26 -1.52 117.35 126.49 1gwk s TYR 7 Ca 0.11 0.48 -0.03 0.00 -0.37 0.00 0.00 57.07 57.26 1gwk s TYR 7 Cb -0.16 -2.41 0.03 0.00 -0.40 0.00 0.00 41.96 39.03 1gwk s TYR 7 CO 0.11 0.06 0.00 0.99 -1.57 0.00 0.00 175.55 175.13 1gwk s THR 8 N 1.08 3.17 -0.24 -0.71 2.01 0.15 -4.98 115.64 116.12 1gwk s THR 8 Ca 0.15 -1.14 -0.29 0.00 0.31 0.00 0.00 61.69 60.72 1gwk s THR 8 Cb -0.14 -2.72 0.01 0.00 0.01 0.00 0.00 72.50 69.65 1gwk s THR 8 CO 0.06 0.01 1.02 -0.69 -0.69 0.00 0.00 174.62 174.33 1gwk s VAL 9 N 1.33 4.68 -0.14 3.82 1.01 -1.26 -0.45 120.40 129.39 1gwk s VAL 9 Ca -0.02 1.96 -0.16 0.00 0.00 0.00 0.00 61.98 63.76 1gwk s VAL 9 Cb -0.18 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 31.66 1gwk s VAL 9 CO -0.01 -0.19 0.41 0.40 0.00 0.00 0.00 175.10 175.70 1gwk h ILE 10 N 5.47 0.92 -2.21 2.22 2.04 -1.16 -3.49 117.51 121.30 1gwk h ILE 10 Ca -0.20 -2.31 -0.05 0.00 1.00 0.00 0.00 64.86 63.30 1gwk h ILE 10 Cb 1.06 2.53 -0.18 0.00 -0.74 0.00 0.00 36.82 39.50 1gwk h ILE 10 CO 0.97 0.63 0.20 0.72 0.00 0.00 0.00 178.15 180.67 1gwk s PHE 11 N -2.45 -0.63 0.00 1.37 -0.71 -1.10 -4.61 117.98 109.84 1gwk s PHE 11 Ca -0.23 0.95 0.00 0.00 -1.04 0.00 0.00 56.93 56.61 1gwk s PHE 11 Cb 0.05 0.44 0.00 0.00 -1.21 0.00 0.00 43.02 42.30 1gwk s PHE 11 CO 0.71 -0.66 0.00 1.63 -1.34 0.00 0.00 175.22 175.56 1gwk n LYS 12 N 0.63 0.00 -3.56 1.99 5.02 -1.26 -1.28 118.16 119.69 1gwk n LYS 12 Ca -0.18 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.74 1gwk n LYS 12 Cb 0.59 -0.01 -0.07 0.00 -0.02 0.00 0.00 35.03 35.52 1gwk n LYS 12 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1gwk s ASN 13 N -1.00 6.45 -0.13 4.39 0.01 -1.26 -1.92 114.94 121.49 1gwk s ASN 13 Ca 0.00 0.53 -0.04 0.00 -0.71 0.00 0.00 52.86 52.64 1gwk s ASN 13 Cb 0.00 -2.18 -0.03 0.00 0.41 0.00 0.00 41.25 39.45 1gwk s ASN 13 CO 0.00 0.14 0.02 0.00 -1.51 0.00 0.00 177.10 175.75 1gwk s ALA 14 N 0.25 3.31 -1.11 0.60 0.00 0.49 -4.93 121.76 120.37 1gwk s ALA 14 Ca 0.17 -0.78 0.10 0.00 0.00 0.00 0.00 51.96 51.45 1gwk s ALA 14 Cb -0.13 -1.67 0.13 0.00 0.00 0.00 0.00 23.12 21.45 1gwk s ALA 14 CO 0.04 0.39 0.92 -1.13 0.00 0.00 0.00 175.76 175.98 1gwk n SER 15 N 2.83 2.07 -1.79 0.00 3.41 -1.26 -4.03 113.62 114.85 1gwk n SER 15 Ca -0.18 -1.56 0.01 0.00 -0.26 0.00 0.00 58.87 56.88 1gwk n SER 15 Cb 0.53 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1gwk n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gwk n GLY 16 N 0.50 0.56 3.71 5.00 0.00 -1.26 -4.84 105.19 108.86 1gwk n GLY 16 Ca 0.07 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 1gwk n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gwk n LEU 17 N 0.00 4.72 -4.75 0.99 4.77 -1.26 -4.95 117.00 116.52 1gwk n LEU 17 Ca 0.01 0.99 -0.37 0.00 -0.03 0.00 0.00 56.01 56.61 1gwk n LEU 17 Cb 0.16 -1.52 0.03 0.00 -2.33 0.00 0.00 43.42 39.77 1gwk n LEU 17 CO 0.04 -0.82 0.89 -2.84 -1.33 0.00 0.00 177.39 173.34 1gwk s PRO 18 N -2.64 3.14 0.33 3.23 0.02 -1.26 -4.93 135.00 132.88 1gwk s PRO 18 Ca 0.69 1.98 -0.29 0.00 0.02 0.00 0.00 61.00 63.40 1gwk s PRO 18 Cb -0.45 -2.12 -0.10 0.00 0.02 0.00 0.00 34.50 31.85 1gwk s PRO 18 CO 0.52 -1.12 1.40 -0.80 -0.33 0.00 0.00 177.00 176.67 1gwk s ASN 19 N -1.31 6.60 -0.01 2.53 0.01 -1.26 -2.26 114.94 119.23 1gwk s ASN 19 Ca 0.73 2.81 0.00 0.00 -0.71 0.00 0.00 52.86 55.69 1gwk s ASN 19 Cb -0.34 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.67 1gwk s ASN 19 CO 0.39 -0.69 0.00 0.61 -1.51 0.00 0.00 177.10 175.90 1gwk n GLY 20 N 1.05 0.46 3.27 0.66 0.00 -1.26 -5.03 105.19 104.34 1gwk n GLY 20 Ca 0.02 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1gwk n GLY 20 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gwk s TYR 21 N -1.93 1.80 0.46 1.61 1.51 -0.96 -1.35 117.35 118.49 1gwk s TYR 21 Ca 0.00 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.70 1gwk s TYR 21 Cb 0.00 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 1gwk s TYR 21 CO 0.00 0.17 0.05 0.34 -1.11 0.00 0.00 175.55 175.00 1gwk s ASP 22 N -1.67 4.08 -0.25 2.29 -1.08 -0.14 -4.66 116.67 115.25 1gwk s ASP 22 Ca 0.07 -1.44 0.01 0.00 -0.52 0.00 0.00 52.55 50.67 1gwk s ASP 22 Cb -0.10 -0.01 0.04 0.00 -1.46 0.00 0.00 42.92 41.39 1gwk s ASP 22 CO 0.03 -0.65 -0.10 0.21 0.52 0.00 0.00 175.17 175.18 1gwk s ASN 23 N -3.83 4.22 -0.19 -0.34 2.47 -1.26 -1.67 114.94 114.35 1gwk s ASN 23 Ca 0.24 -1.12 0.15 0.00 0.42 0.00 0.00 52.86 52.56 1gwk s ASN 23 Cb 0.05 -1.58 0.70 0.00 -1.45 0.00 0.00 41.25 38.97 1gwk s ASN 23 CO 0.13 -0.15 1.61 0.79 -3.72 0.00 0.00 177.10 175.77 1gwk n TRP 24 N 4.55 1.58 -0.39 0.43 7.02 0.93 -4.91 117.44 126.64 1gwk n TRP 24 Ca -0.16 -0.75 0.00 0.00 -1.02 0.00 0.00 57.50 55.57 1gwk n TRP 24 Cb 0.45 -0.39 0.00 0.00 -2.42 0.00 0.00 31.31 28.95 1gwk n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1gwk n GLY 25 N 0.35 -1.82 3.59 6.99 0.00 -1.25 -4.68 105.19 108.37 1gwk n GLY 25 Ca 0.25 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 1gwk n GLY 25 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1gwk s TRP 26 N -0.57 -0.40 -2.03 1.61 -2.14 -0.75 -4.90 118.94 109.76 1gwk s TRP 26 Ca 0.00 0.10 0.00 0.00 2.66 0.00 0.00 56.10 58.86 1gwk s TRP 26 Cb 0.00 0.61 0.00 0.00 -3.10 0.00 0.00 33.47 30.98 1gwk s TRP 26 CO 0.00 -0.97 0.00 0.41 -2.66 0.00 0.00 176.95 173.73 1gwk n GLY 27 N -0.40 1.09 3.12 3.67 0.00 -1.26 -1.52 105.19 109.89 1gwk n GLY 27 Ca -0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 1gwk n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwk s THR 29 N -2.32 3.52 -0.13 0.00 2.01 -0.16 -4.96 115.64 113.60 1gwk s THR 29 Ca 0.00 -0.53 -0.03 0.00 0.31 0.00 0.00 61.69 61.45 1gwk s THR 29 Cb -0.04 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1gwk s THR 29 CO -0.01 0.56 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.70 1gwk s LEU 30 N -0.30 3.42 0.34 4.42 1.02 -1.26 -0.55 118.68 125.77 1gwk s LEU 30 Ca 0.04 -0.01 0.04 0.00 0.02 0.00 0.00 54.13 54.22 1gwk s LEU 30 Cb -0.13 -1.81 -0.06 0.00 0.02 0.00 0.00 46.19 44.22 1gwk s LEU 30 CO 0.02 0.25 0.06 -0.94 0.02 0.00 0.00 176.35 175.77 1gwk s SER 31 N -0.12 2.51 -0.03 2.29 1.04 -0.70 -5.00 113.70 113.69 1gwk s SER 31 Ca 0.03 -1.42 0.01 0.00 0.48 0.00 0.00 55.95 55.05 1gwk s SER 31 Cb -0.13 -0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.01 1gwk s SER 31 CO 0.02 -0.65 -0.03 -0.31 0.98 0.00 0.00 173.24 173.25 1gwk s TYR 32 N -3.26 0.57 -0.13 5.02 1.51 -1.26 -0.98 117.35 118.82 1gwk s TYR 32 Ca 0.34 -0.12 -0.30 0.00 -1.01 0.00 0.00 57.07 55.98 1gwk s TYR 32 Cb 0.08 -0.52 0.10 0.00 -0.11 0.00 0.00 41.96 41.51 1gwk s TYR 32 CO 0.15 -0.14 0.87 -0.47 -1.11 0.00 0.00 175.55 174.85 1gwk s TYR 33 N 0.75 -0.50 -1.97 2.71 5.04 -1.01 -4.91 117.35 117.46 1gwk s TYR 33 Ca -0.09 0.92 0.00 0.00 -2.44 0.00 0.00 57.07 55.46 1gwk s TYR 33 Cb -0.12 0.42 0.00 0.00 0.35 0.00 0.00 41.96 42.61 1gwk s TYR 33 CO -0.00 -0.43 0.00 0.41 -1.34 0.00 0.00 175.55 174.18 1gwk n GLY 34 N 1.00 1.41 2.83 8.97 0.00 -1.26 -0.87 105.19 117.27 1gwk n GLY 34 Ca -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1gwk n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwk n GLY 35 N -0.69 0.84 0.00 -0.02 0.00 -1.26 -4.97 105.19 99.10 1gwk n GLY 35 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1gwk n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwk n ALA 36 N 1.00 0.00 -3.22 4.61 0.00 -0.05 -0.38 120.51 122.47 1gwk n ALA 36 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1gwk n ALA 36 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1gwk n ALA 36 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1gwk s ILE 38 N 3.86 -0.25 -0.20 0.00 1.01 -0.15 -2.41 121.20 123.06 1gwk s ILE 38 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 60.65 60.51 1gwk s ILE 38 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1gwk s ILE 38 CO 0.00 0.00 0.34 -0.63 0.00 0.00 0.00 174.94 174.65 1gwk s ILE 39 N 2.52 5.25 -0.54 2.92 1.01 0.19 -1.73 121.20 130.82 1gwk s ILE 39 Ca -0.02 0.58 0.01 0.00 0.00 0.00 0.00 60.65 61.22 1gwk s ILE 39 Cb -0.06 -3.67 0.14 0.00 0.01 0.00 0.00 42.46 38.88 1gwk s ILE 39 CO -0.14 0.29 0.31 0.21 0.00 0.00 0.00 174.94 175.61 1gwk s ASN 40 N 0.96 4.81 0.38 3.58 2.47 0.29 -1.49 114.94 125.92 1gwk s ASN 40 Ca 0.16 -2.79 -0.25 0.00 0.42 0.00 0.00 52.86 50.40 1gwk s ASN 40 Cb -0.14 -1.74 -0.09 0.00 -1.45 0.00 0.00 41.25 37.82 1gwk s ASN 40 CO 0.07 -0.33 1.03 -2.84 -3.72 0.00 0.00 177.10 171.31 1gwk s PRO 41 N 0.03 4.29 0.05 0.43 0.02 -1.26 -0.99 135.00 137.56 1gwk s PRO 41 Ca 0.16 1.49 -0.23 0.00 0.02 0.00 0.00 61.00 62.43 1gwk s PRO 41 Cb -0.23 -2.63 -0.06 0.00 0.02 0.00 0.00 34.50 31.60 1gwk s PRO 41 CO -0.02 -0.03 0.71 -1.14 -0.33 0.00 0.00 177.00 176.18 1gwk s GLN 42 N -2.35 4.43 0.22 5.54 0.74 0.28 -4.37 119.66 124.17 1gwk s GLN 42 Ca 0.55 0.96 -0.32 0.00 0.05 0.00 0.00 55.36 56.61 1gwk s GLN 42 Cb -0.22 -3.34 -0.12 0.00 1.10 0.00 0.00 33.01 30.44 1gwk s GLN 42 CO 0.27 0.37 1.70 -1.91 -0.55 0.00 0.00 175.29 175.17 1gwk n GLU 43 N 2.55 2.75 -0.83 1.67 2.13 -1.26 -2.18 120.64 125.47 1gwk n GLU 43 Ca -0.05 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.76 1gwk n GLU 43 Cb 0.50 -2.82 0.00 0.00 0.27 0.00 0.00 31.44 29.39 1gwk n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gwk n GLY 44 N 3.59 0.84 0.20 8.31 0.00 0.14 -4.90 105.19 113.38 1gwk n GLY 44 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1gwk n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gwk n LYS 45 N -2.17 2.19 -3.99 1.61 4.76 -0.93 -4.98 118.16 114.65 1gwk n LYS 45 Ca 0.00 -0.48 -0.33 0.00 -2.87 0.00 0.00 58.31 54.63 1gwk n LYS 45 Cb 0.00 -1.16 -0.02 0.00 -1.84 0.00 0.00 35.03 32.02 1gwk n LYS 45 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1gwk n TYR 46 N -0.55 -1.78 -1.49 2.13 4.01 -1.26 -4.85 117.16 113.38 1gwk n TYR 46 Ca 0.04 0.71 -0.37 0.00 -0.16 0.00 0.00 57.90 58.13 1gwk n TYR 46 Cb 0.25 -2.91 0.06 0.00 -0.31 0.00 0.00 39.34 36.43 1gwk n TYR 46 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gwk n GLY 47 N -1.32 -0.76 2.98 2.72 0.00 -1.26 -4.41 105.19 103.14 1gwk n GLY 47 Ca 0.06 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1gwk n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwk s ALA 48 N -1.67 -0.02 -0.12 4.61 0.00 -0.57 -0.68 121.76 123.30 1gwk s ALA 48 Ca 0.73 -0.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.18 1gwk s ALA 48 Cb -0.40 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 1gwk s ALA 48 CO 0.50 -0.13 0.52 0.08 0.00 0.00 0.00 175.76 176.74 1gwk s VAL 49 N -1.04 5.15 -0.42 0.00 1.01 -0.56 -1.81 120.40 122.74 1gwk s VAL 49 Ca -0.11 1.04 0.04 0.00 0.00 0.00 0.00 61.98 62.95 1gwk s VAL 49 Cb -0.07 -3.86 0.11 0.00 0.00 0.00 0.00 36.38 32.56 1gwk s VAL 49 CO -0.00 0.29 0.14 -0.55 0.00 0.00 0.00 175.10 174.98 1gwk s SER 50 N 0.73 4.55 -0.36 3.32 0.15 -1.26 -0.70 113.70 120.13 1gwk s SER 50 Ca 0.28 -2.53 -0.29 0.00 0.70 0.00 0.00 55.95 54.11 1gwk s SER 50 Cb -0.16 -1.62 0.02 0.00 -1.71 0.00 0.00 66.02 62.56 1gwk s SER 50 CO 0.11 -0.31 1.08 -0.76 1.20 0.00 0.00 173.24 174.56 1gwk s LEU 51 N 0.38 3.87 -0.21 3.45 1.43 0.18 -0.05 118.68 127.73 1gwk s LEU 51 Ca 0.14 0.88 -0.05 0.00 -1.03 0.00 0.00 54.13 54.07 1gwk s LEU 51 Cb -0.22 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 1gwk s LEU 51 CO -0.05 -0.96 -0.01 -0.75 0.23 0.00 0.00 176.35 174.81 1gwk s LYS 52 N 3.82 3.53 -0.10 1.70 2.47 -0.67 -0.76 119.74 129.73 1gwk s LYS 52 Ca 0.45 -0.56 -0.29 0.00 -1.56 0.00 0.00 55.97 54.02 1gwk s LYS 52 Cb -0.11 -3.07 -0.02 0.00 -1.46 0.00 0.00 37.83 33.18 1gwk s LYS 52 CO 0.19 -0.08 0.97 0.50 0.16 0.00 0.00 175.35 177.09 1gwk s ARG 53 N 1.22 4.42 0.34 4.03 3.52 0.47 -0.96 118.95 132.00 1gwk s ARG 53 Ca 0.03 1.32 0.05 0.00 -0.13 0.00 0.00 55.73 57.00 1gwk s ARG 53 Cb -0.15 -3.53 0.63 0.00 -1.56 0.00 0.00 34.95 30.34 1gwk s ARG 53 CO 0.00 -0.27 1.89 -0.91 -0.81 0.00 0.00 175.30 175.20 1gwk h ASN 54 N 7.08 0.48 -4.60 -2.12 -0.26 -1.55 -3.44 115.58 111.18 1gwk h ASN 54 Ca -0.32 -0.08 -0.16 0.00 -0.56 0.00 0.00 56.30 55.17 1gwk h ASN 54 Cb 1.16 -0.13 -0.22 0.00 -1.06 0.00 0.00 38.32 38.07 1gwk h ASN 54 CO 0.84 0.54 -0.51 -0.55 -1.06 0.00 0.00 177.43 176.69 1gwk s SER 55 N -6.74 -0.03 0.04 5.81 0.15 -1.26 -5.12 113.70 106.55 1gwk s SER 55 Ca -0.08 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1gwk s SER 55 Cb 0.16 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1gwk s SER 55 CO 0.76 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.54 1gwk n GLY 56 N 1.94 -2.18 3.37 9.45 0.00 -1.26 -5.07 105.19 111.44 1gwk n GLY 56 Ca -0.20 -1.48 -0.14 0.00 0.00 0.00 0.00 46.02 44.20 1gwk n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gwk s SER 57 N -2.83 -0.38 0.32 1.61 0.01 -1.26 -4.71 113.70 106.46 1gwk s SER 57 Ca 0.00 0.17 0.07 0.00 1.31 0.00 0.00 55.95 57.50 1gwk s SER 57 Cb 0.00 0.45 -0.02 0.00 0.21 0.00 0.00 66.02 66.67 1gwk s SER 57 CO 0.00 -0.65 0.41 -0.36 0.41 0.00 0.00 173.24 173.05 1gwk s PHE 58 N -2.16 3.13 -0.05 2.43 0.08 -0.05 -4.87 117.98 116.49 1gwk s PHE 58 Ca -0.07 -0.20 -0.02 0.00 0.12 0.00 0.00 56.93 56.76 1gwk s PHE 58 Cb -0.01 -1.88 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1gwk s PHE 58 CO 0.00 0.11 0.05 0.50 -0.10 0.00 0.00 175.22 175.78 1gwk s ARG 59 N -4.10 0.08 3.48 0.44 3.00 -1.26 -0.43 118.95 120.16 1gwk s ARG 59 Ca 0.42 0.31 0.00 0.00 -1.00 0.00 0.00 55.73 55.46 1gwk s ARG 59 Cb -0.09 -0.63 0.00 0.00 0.00 0.00 0.00 34.95 34.23 1gwk s ARG 59 CO 0.30 -0.33 0.00 0.41 0.00 0.00 0.00 175.30 175.68 1gwk n GLY 60 N 5.26 1.84 7.00 8.12 0.00 -1.26 -4.86 105.19 121.30 1gwk n GLY 60 Ca -0.04 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1gwk n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwk n GLY 61 N 0.00 0.41 3.14 -0.02 0.00 -1.25 -4.73 105.19 102.75 1gwk n GLY 61 Ca 0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 1gwk n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gwk s SER 62 N -4.00 0.03 -0.15 1.61 1.04 -0.39 -0.78 113.70 111.06 1gwk s SER 62 Ca 0.00 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1gwk s SER 62 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1gwk s SER 62 CO 0.00 -0.46 -0.18 -0.76 0.98 0.00 0.00 173.24 172.82 1gwk s LEU 63 N -1.73 2.34 -0.08 2.42 1.43 0.01 -0.64 118.68 122.43 1gwk s LEU 63 Ca -0.10 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1gwk s LEU 63 Cb -0.04 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1gwk s LEU 63 CO -0.01 0.09 -0.15 -0.60 0.23 0.00 0.00 176.35 175.90 1gwk s ARG 64 N 0.80 2.86 0.06 1.70 3.00 0.92 -0.85 118.95 127.44 1gwk s ARG 64 Ca -0.06 -0.72 -0.26 0.00 -1.00 0.00 0.00 55.73 53.68 1gwk s ARG 64 Cb -0.15 -2.45 0.08 0.00 0.00 0.00 0.00 34.95 32.43 1gwk s ARG 64 CO -0.00 0.43 0.70 -0.59 0.00 0.00 0.00 175.30 175.83 1gwk s PHE 65 N -0.22 -0.52 0.47 5.12 -0.12 -0.68 -0.24 117.98 121.79 1gwk s PHE 65 Ca 0.00 0.52 0.07 0.00 -0.05 0.00 0.00 56.93 57.47 1gwk s PHE 65 Cb -0.13 0.51 0.03 0.00 -0.63 0.00 0.00 43.02 42.80 1gwk s PHE 65 CO 0.03 -0.71 0.64 -0.51 -0.05 0.00 0.00 175.22 174.62 1gwk s ASP 66 N -2.23 5.50 0.04 1.98 1.01 0.66 -0.62 116.67 123.01 1gwk s ASP 66 Ca -0.01 -0.44 0.01 0.00 0.71 0.00 0.00 52.55 52.82 1gwk s ASP 66 Cb -0.01 -0.51 -0.03 0.00 1.01 0.00 0.00 42.92 43.38 1gwk s ASP 66 CO -0.06 -0.92 -0.06 -1.59 0.21 0.00 0.00 175.17 172.75 1gwk s LYS 68 N -4.46 0.48 -0.28 8.23 -2.85 -0.97 -2.06 119.74 117.83 1gwk s LYS 68 Ca 0.57 -0.79 -0.23 0.00 -1.00 0.00 0.00 55.97 54.51 1gwk s LYS 68 Cb -0.09 -0.10 0.09 0.00 -2.06 0.00 0.00 37.83 35.67 1gwk s LYS 68 CO 0.35 -0.00 0.81 0.54 0.10 0.00 0.00 175.35 177.15 1gwk s ASN 69 N -1.77 -0.69 0.31 0.03 4.22 -0.87 -0.48 114.94 115.69 1gwk s ASN 69 Ca -0.09 1.27 0.21 0.00 -2.14 0.00 0.00 52.86 52.12 1gwk s ASN 69 Cb -0.07 1.29 0.15 0.00 1.28 0.00 0.00 41.25 43.89 1gwk s ASN 69 CO -0.01 -0.22 1.33 -0.33 -2.04 0.00 0.00 177.10 175.83 1gwk h GLU 70 N 5.14 0.00 0.00 3.55 5.08 -1.61 -1.95 114.58 124.79 1gwk h GLU 70 Ca -0.29 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.64 1gwk h GLU 70 Cb 1.18 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.33 1gwk h GLU 70 CO 0.09 0.09 -0.37 0.41 -1.00 0.00 0.00 179.01 178.23 1gwk n GLY 71 N 1.17 3.37 3.77 -3.84 0.00 -1.26 -4.85 105.19 103.54 1gwk n GLY 71 Ca 0.01 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 1gwk n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gwk s LYS 72 N -3.21 3.95 -0.09 1.61 1.02 -1.26 -4.11 119.74 117.65 1gwk s LYS 72 Ca 0.19 2.37 0.01 0.00 0.02 0.00 0.00 55.97 58.56 1gwk s LYS 72 Cb 0.01 -2.82 0.02 0.00 -0.52 0.00 0.00 37.83 34.52 1gwk s LYS 72 CO 0.13 -0.58 -0.11 0.08 -0.92 0.00 0.00 175.35 173.95 1gwk s VAL 73 N -1.19 1.15 -0.16 3.17 1.01 -0.11 -2.96 120.40 121.32 1gwk s VAL 73 Ca 0.56 -0.43 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 1gwk s VAL 73 Cb -0.43 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1gwk s VAL 73 CO 0.56 0.37 0.65 -0.75 0.00 0.00 0.00 175.10 175.93 1gwk s LYS 74 N 1.13 4.28 -0.22 2.72 2.20 -0.46 0.45 119.74 129.84 1gwk s LYS 74 Ca -0.06 0.69 -0.13 0.00 -0.36 0.00 0.00 55.97 56.12 1gwk s LYS 74 Cb -0.14 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 1gwk s LYS 74 CO -0.02 -0.14 0.25 0.42 -0.36 0.00 0.00 175.35 175.50 1gwk s ILE 75 N 1.55 5.30 0.22 5.43 -1.09 0.16 -0.61 121.20 132.17 1gwk s ILE 75 Ca 0.31 0.39 0.03 0.00 -2.23 0.00 0.00 60.65 59.15 1gwk s ILE 75 Cb -0.16 -3.59 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1gwk s ILE 75 CO 0.12 0.32 0.02 -0.76 -1.23 0.00 0.00 174.94 173.40 1gwk s LEU 76 N 1.09 2.08 0.13 2.97 1.02 -0.68 0.22 118.68 125.50 1gwk s LEU 76 Ca 0.12 -1.24 0.08 0.00 0.02 0.00 0.00 54.13 53.12 1gwk s LEU 76 Cb -0.14 -0.17 -0.04 0.00 0.02 0.00 0.00 46.19 45.87 1gwk s LEU 76 CO 0.05 -0.56 -0.20 0.68 0.02 0.00 0.00 176.35 176.34 1gwk s VAL 77 N -3.54 1.75 0.07 -1.59 -7.23 -0.68 -0.40 120.40 108.78 1gwk s VAL 77 Ca 0.29 -1.72 0.04 0.00 -1.81 0.00 0.00 61.98 58.78 1gwk s VAL 77 Cb 0.06 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 1gwk s VAL 77 CO 0.08 -0.18 -0.11 -1.61 -0.31 0.00 0.00 175.10 172.97 1gwk s GLU 78 N -2.32 0.72 -0.39 4.82 2.02 -0.45 -1.08 118.70 122.01 1gwk s GLU 78 Ca 0.11 -0.93 -0.10 0.00 0.02 0.00 0.00 54.97 54.07 1gwk s GLU 78 Cb -0.08 -0.56 0.05 0.00 0.10 0.00 0.00 34.13 33.64 1gwk s GLU 78 CO 0.05 0.11 0.23 1.21 0.02 0.00 0.00 175.26 176.88 1gwk s ASN 79 N -1.83 5.67 0.37 -0.19 3.84 -0.39 -1.77 114.94 120.63 1gwk s ASN 79 Ca -0.03 -1.25 0.20 0.00 0.21 0.00 0.00 52.86 51.99 1gwk s ASN 79 Cb -0.08 -2.00 0.47 0.00 -0.55 0.00 0.00 41.25 39.09 1gwk s ASN 79 CO 0.01 -0.46 1.63 0.77 -2.79 0.00 0.00 177.10 176.26 1gwk h SER 80 N 8.41 0.00 0.50 -4.21 4.64 -1.90 -0.99 113.55 120.00 1gwk h SER 80 Ca -0.24 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.90 1gwk h SER 80 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1gwk h SER 80 CO 0.71 0.33 -0.76 -0.08 -0.87 0.00 0.00 176.83 176.15 1gwk h GLU 81 N 0.00 0.21 -0.01 4.77 4.81 -1.96 -2.90 114.58 119.49 1gwk h GLU 81 Ca -0.00 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1gwk h GLU 81 Cb 1.06 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1gwk h GLU 81 CO 0.04 0.87 -0.26 0.00 -0.73 0.00 0.00 179.01 178.94 1gwk n ALA 82 N -2.46 3.08 -3.71 2.92 0.00 -1.20 -4.98 120.51 114.15 1gwk n ALA 82 Ca -0.03 -0.45 -0.25 0.00 0.00 0.00 0.00 53.44 52.71 1gwk n ALA 82 Cb 0.73 -1.08 0.03 0.00 0.00 0.00 0.00 19.45 19.13 1gwk n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1gwk n ASP 83 N -0.41 -2.87 -4.10 0.00 2.03 -0.44 -4.98 116.55 105.79 1gwk n ASP 83 Ca 0.13 -0.92 -0.23 0.00 0.52 0.00 0.00 54.79 54.28 1gwk n ASP 83 Cb 0.37 -3.70 -0.16 0.00 -0.72 0.00 0.00 41.12 36.91 1gwk n ASP 83 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1gwk s GLU 84 N -5.97 1.33 0.10 -0.67 2.56 -0.84 -5.03 118.70 110.19 1gwk s GLU 84 Ca 0.20 -0.50 0.06 0.00 0.00 0.00 0.00 54.97 54.73 1gwk s GLU 84 Cb -0.06 -1.22 -0.03 0.00 2.00 0.00 0.00 34.13 34.81 1gwk s GLU 84 CO 0.84 0.24 -0.14 -1.59 -0.56 0.00 0.00 175.26 174.05 1gwk s LYS 85 N -0.09 0.96 -0.05 4.30 -2.85 -1.26 -1.26 119.74 119.49 1gwk s LYS 85 Ca 0.00 -1.14 -0.01 0.00 -1.00 0.00 0.00 55.97 53.82 1gwk s LYS 85 Cb -0.08 -0.90 0.03 0.00 -2.06 0.00 0.00 37.83 34.82 1gwk s LYS 85 CO 0.01 0.18 0.02 0.12 0.10 0.00 0.00 175.35 175.78 1gwk s PHE 86 N -1.83 0.44 -0.16 1.78 2.19 -0.24 -5.01 117.98 115.15 1gwk s PHE 86 Ca 0.05 -0.02 -0.29 0.00 0.33 0.00 0.00 56.93 57.00 1gwk s PHE 86 Cb -0.07 -0.64 -0.01 0.00 -1.31 0.00 0.00 43.02 40.99 1gwk s PHE 86 CO 0.03 -0.25 1.16 -2.00 1.83 0.00 0.00 175.22 175.99 1gwk s GLU 87 N 1.85 4.28 -0.11 10.12 2.12 -1.26 -1.69 118.70 134.01 1gwk s GLU 87 Ca 0.02 1.55 -0.11 0.00 0.36 0.00 0.00 54.97 56.78 1gwk s GLU 87 Cb -0.12 -3.67 -0.27 0.00 0.26 0.00 0.00 34.13 30.33 1gwk s GLU 87 CO -0.04 -0.60 0.46 0.28 -0.54 0.00 0.00 175.26 174.82 1gwk h VAL 88 N 5.37 0.82 -1.34 3.70 2.07 -0.57 -3.48 116.25 122.80 1gwk h VAL 88 Ca -0.26 -2.38 0.19 0.00 0.82 0.00 0.00 66.70 65.08 1gwk h VAL 88 Cb 1.10 2.59 -0.24 0.00 -1.52 0.00 0.00 31.29 33.22 1gwk h VAL 88 CO 0.95 0.79 0.78 -0.70 0.02 0.00 0.00 177.57 179.41 1gwk s GLU 89 N -2.52 0.30 -0.15 1.57 2.56 -0.91 -5.01 118.70 114.55 1gwk s GLU 89 Ca -0.21 0.02 -0.05 0.00 0.00 0.00 0.00 54.97 54.73 1gwk s GLU 89 Cb 0.06 0.14 -0.03 0.00 2.00 0.00 0.00 34.13 36.29 1gwk s GLU 89 CO 0.77 -0.11 0.02 0.99 -0.56 0.00 0.00 175.26 176.38 1gwk s THR 90 N -1.43 4.44 -0.15 -1.70 2.01 -1.26 0.39 115.64 117.95 1gwk s THR 90 Ca 0.06 -0.17 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 1gwk s THR 90 Cb -0.01 -2.95 -0.02 0.00 0.01 0.00 0.00 72.50 69.53 1gwk s THR 90 CO -0.04 0.51 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.70 1gwk s ILE 91 N 0.01 3.59 0.73 1.82 1.01 0.17 -4.93 121.20 123.59 1gwk s ILE 91 Ca 0.04 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 1gwk s ILE 91 Cb -0.13 -2.55 0.03 0.00 0.01 0.00 0.00 42.46 39.82 1gwk s ILE 91 CO 0.02 0.50 1.07 -0.44 0.00 0.00 0.00 174.94 176.09 1gwk s SER 92 N 0.36 5.11 0.48 3.58 0.01 -1.26 -0.93 113.70 121.05 1gwk s SER 92 Ca -0.07 1.53 -0.24 0.00 1.31 0.00 0.00 55.95 58.49 1gwk s SER 92 Cb -0.15 -2.36 -0.08 0.00 0.21 0.00 0.00 66.02 63.64 1gwk s SER 92 CO 0.04 -1.61 1.31 -2.65 0.41 0.00 0.00 173.24 170.74 1gwk n PRO 93 N -3.23 1.86 -3.69 12.44 -0.02 -1.26 -4.85 135.00 136.26 1gwk n PRO 93 Ca 0.07 0.67 -0.12 0.00 -2.02 0.00 0.00 63.50 62.10 1gwk n PRO 93 Cb 0.54 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.45 1gwk n PRO 93 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1gwk s SER 94 N -0.68 -0.57 0.03 2.55 0.15 -0.73 -5.01 113.70 109.44 1gwk s SER 94 Ca 0.65 1.04 0.24 0.00 0.70 0.00 0.00 55.95 58.58 1gwk s SER 94 Cb -0.46 1.00 0.30 0.00 -1.71 0.00 0.00 66.02 65.15 1gwk s SER 94 CO 0.55 -0.19 1.26 -0.90 1.20 0.00 0.00 173.24 175.15 1gwk n ASP 95 N 3.34 0.61 -4.50 5.45 5.68 -1.26 -2.05 116.55 123.82 1gwk n ASP 95 Ca -0.17 -0.28 -0.25 0.00 -0.50 0.00 0.00 54.79 53.60 1gwk n ASP 95 Cb 0.56 0.45 -0.10 0.00 -1.14 0.00 0.00 41.12 40.89 1gwk n ASP 95 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1gwk s GLU 96 N -3.07 1.77 0.17 0.11 0.41 -1.26 -4.94 118.70 111.90 1gwk s GLU 96 Ca 0.08 -1.64 -0.31 0.00 -0.41 0.00 0.00 54.97 52.69 1gwk s GLU 96 Cb 0.16 -1.87 -0.09 0.00 -1.78 0.00 0.00 34.13 30.55 1gwk s GLU 96 CO 0.75 0.35 1.46 0.71 -0.49 0.00 0.00 175.26 178.04 1gwk s TYR 97 N -2.28 3.12 -0.01 1.61 2.02 -1.26 -4.45 117.35 116.10 1gwk s TYR 97 Ca 0.28 0.86 0.05 0.00 -0.37 0.00 0.00 57.07 57.90 1gwk s TYR 97 Cb -0.06 -3.80 -0.03 0.00 -0.40 0.00 0.00 41.96 37.67 1gwk s TYR 97 CO 0.15 -2.82 -0.17 0.08 -1.57 0.00 0.00 175.55 171.22 1gwk s VAL 98 N 0.79 2.86 -0.18 0.71 1.01 -1.26 -4.96 120.40 119.38 1gwk s VAL 98 Ca 0.65 -0.95 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 1gwk s VAL 98 Cb -0.41 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1gwk s VAL 98 CO 0.34 0.48 0.51 -0.89 0.00 0.00 0.00 175.10 175.55 1gwk s THR 99 N -0.80 5.13 -0.04 3.92 2.01 -1.26 -4.33 115.64 120.26 1gwk s THR 99 Ca 0.13 0.97 0.04 0.00 0.31 0.00 0.00 61.69 63.13 1gwk s THR 99 Cb -0.11 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 1gwk s THR 99 CO 0.02 0.22 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.72 1gwk s TYR 100 N 1.35 2.69 -0.16 4.92 2.02 0.20 -4.98 117.35 123.40 1gwk s TYR 100 Ca 0.25 -0.16 -0.00 0.00 -0.37 0.00 0.00 57.07 56.79 1gwk s TYR 100 Cb -0.15 -1.62 0.03 0.00 -0.40 0.00 0.00 41.96 39.82 1gwk s TYR 100 CO 0.10 0.19 -0.08 0.42 -1.57 0.00 0.00 175.55 174.61 1gwk s ILE 101 N -0.75 1.26 -0.07 2.71 1.01 -1.26 -1.68 121.20 122.42 1gwk s ILE 101 Ca 0.12 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.19 1gwk s ILE 101 Cb -0.11 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.04 1gwk s ILE 101 CO 0.01 0.25 -0.16 -0.76 0.00 0.00 0.00 174.94 174.28 1gwk s LEU 102 N 1.58 1.81 0.33 2.97 1.43 -0.03 -4.90 118.68 121.88 1gwk s LEU 102 Ca 0.02 -0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 1gwk s LEU 102 Cb -0.14 -1.01 -0.10 0.00 0.03 0.00 0.00 46.19 44.97 1gwk s LEU 102 CO -0.08 0.09 1.32 -1.81 0.23 0.00 0.00 176.35 176.10 1gwk s ASP 103 N 0.47 6.74 -0.41 2.29 1.01 -1.26 -0.81 116.67 124.70 1gwk s ASP 103 Ca -0.14 2.70 -0.05 0.00 0.71 0.00 0.00 52.55 55.77 1gwk s ASP 103 Cb -0.16 -2.65 0.10 0.00 1.01 0.00 0.00 42.92 41.22 1gwk s ASP 103 CO 0.05 -0.56 0.22 -0.69 0.21 0.00 0.00 175.17 174.39 1gwk s VAL 104 N -1.06 3.64 -1.54 -1.27 1.01 0.04 -4.91 120.40 116.30 1gwk s VAL 104 Ca 0.50 -1.76 0.28 0.00 0.00 0.00 0.00 61.98 60.99 1gwk s VAL 104 Cb -0.40 -3.36 0.34 0.00 0.00 0.00 0.00 36.38 32.95 1gwk s VAL 104 CO 0.53 -0.59 1.74 0.47 0.00 0.00 0.00 175.10 177.25 1gwk n ASP 105 N 4.73 0.57 -4.58 3.32 8.00 -1.26 -4.08 116.55 123.25 1gwk n ASP 105 Ca -0.06 -0.52 -0.48 0.00 0.71 0.00 0.00 54.79 54.44 1gwk n ASP 105 Cb 0.42 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.46 1gwk n ASP 105 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1gwk n PHE 106 N -0.99 1.31 0.88 1.24 7.35 -1.26 -4.92 117.46 121.06 1gwk n PHE 106 Ca 0.12 0.67 0.11 0.00 -0.76 0.00 0.00 57.45 57.60 1gwk n PHE 106 Cb 0.31 -2.28 0.11 0.00 0.35 0.00 0.00 39.48 37.96 1gwk n PHE 106 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1gwk n ASP 107 N 1.91 2.96 -4.90 -2.13 5.68 -1.26 -4.53 116.55 114.28 1gwk n ASP 107 Ca 0.14 -1.96 -0.20 0.00 -0.50 0.00 0.00 54.79 52.27 1gwk n ASP 107 Cb 0.26 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.19 1gwk n ASP 107 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1gwk s LEU 108 N -1.85 3.73 0.85 -2.12 1.43 -1.26 -5.04 118.68 114.42 1gwk s LEU 108 Ca 0.28 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 1gwk s LEU 108 Cb 0.19 -2.40 0.10 0.00 0.03 0.00 0.00 46.19 44.12 1gwk s LEU 108 CO 0.29 -0.37 1.10 -2.84 0.23 0.00 0.00 176.35 174.76 1gwk s PRO 109 N -4.05 1.62 -0.02 1.29 0.02 -1.26 -4.64 135.00 127.96 1gwk s PRO 109 Ca 0.42 1.19 0.01 0.00 0.02 0.00 0.00 61.00 62.64 1gwk s PRO 109 Cb -0.07 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.64 1gwk s PRO 109 CO 0.28 -2.09 -0.04 -0.59 -0.33 0.00 0.00 177.00 174.23 1gwk s PHE 110 N -2.83 0.55 -0.82 6.54 -0.71 0.43 -4.29 117.98 116.86 1gwk s PHE 110 Ca 0.63 -0.11 0.08 0.00 -1.04 0.00 0.00 56.93 56.49 1gwk s PHE 110 Cb -0.19 -0.47 0.14 0.00 -1.21 0.00 0.00 43.02 41.29 1gwk s PHE 110 CO 0.57 -0.10 0.96 -0.40 -1.34 0.00 0.00 175.22 174.90 1gwk n ASP 111 N 3.62 2.13 -3.99 1.98 5.75 -0.73 -0.87 116.55 124.45 1gwk n ASP 111 Ca -0.21 -1.65 -0.17 0.00 -0.01 0.00 0.00 54.79 52.75 1gwk n ASP 111 Cb 0.53 -0.08 -0.14 0.00 -1.03 0.00 0.00 41.12 40.40 1gwk n ASP 111 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1gwk s ARG 112 N -0.82 0.58 -0.10 0.11 0.52 -1.06 -0.39 118.95 117.79 1gwk s ARG 112 Ca 0.13 -0.27 0.04 0.00 -0.52 0.00 0.00 55.73 55.10 1gwk s ARG 112 Cb 0.07 -0.56 0.00 0.00 0.52 0.00 0.00 34.95 34.99 1gwk s ARG 112 CO 0.10 0.15 -0.23 0.42 0.02 0.00 0.00 175.30 175.77 1gwk s ILE 113 N -0.20 1.97 0.04 1.52 1.01 0.06 -1.34 121.20 124.26 1gwk s ILE 113 Ca 0.02 -0.96 0.09 0.00 0.00 0.00 0.00 60.65 59.80 1gwk s ILE 113 Cb -0.03 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1gwk s ILE 113 CO -0.00 0.54 -0.25 -1.81 0.00 0.00 0.00 174.94 173.42 1gwk s ASP 114 N 0.41 3.26 -0.23 3.58 1.01 0.46 0.50 116.67 125.67 1gwk s ASP 114 Ca -0.18 -0.55 0.00 0.00 0.71 0.00 0.00 52.55 52.53 1gwk s ASP 114 Cb -0.18 -0.35 0.06 0.00 1.01 0.00 0.00 42.92 43.47 1gwk s ASP 114 CO 0.08 0.26 -0.04 -0.36 0.21 0.00 0.00 175.17 175.32 1gwk s PHE 115 N -0.81 2.26 -0.10 4.23 0.08 0.12 -1.69 117.98 122.07 1gwk s PHE 115 Ca 0.12 -1.69 -0.00 0.00 0.12 0.00 0.00 56.93 55.48 1gwk s PHE 115 Cb -0.10 -1.55 -0.03 0.00 -0.57 0.00 0.00 43.02 40.77 1gwk s PHE 115 CO 0.02 -0.76 -0.07 -1.14 -0.10 0.00 0.00 175.22 173.17 1gwk s GLN 116 N 1.44 3.06 -0.92 0.44 0.74 0.22 -1.49 119.66 123.15 1gwk s GLN 116 Ca -0.04 -0.55 -0.24 0.00 0.05 0.00 0.00 55.36 54.57 1gwk s GLN 116 Cb -0.19 -2.68 -0.01 0.00 1.10 0.00 0.00 33.01 31.23 1gwk s GLN 116 CO -0.07 0.51 1.75 0.34 -0.55 0.00 0.00 175.29 177.27 1gwk s ASP 117 N -0.38 5.65 0.07 6.67 2.15 0.14 -1.36 116.67 129.62 1gwk s ASP 117 Ca 0.05 -0.88 -0.25 0.00 0.43 0.00 0.00 52.55 51.91 1gwk s ASP 117 Cb -0.12 -2.56 -0.16 0.00 -0.30 0.00 0.00 42.92 39.77 1gwk s ASP 117 CO 0.02 -2.27 1.66 0.00 -0.17 0.00 0.00 175.17 174.41 1gwk h ALA 118 N 10.93 -0.13 0.00 3.66 0.00 -1.85 -2.59 119.26 129.28 1gwk h ALA 118 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1gwk h ALA 118 Cb 1.02 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1gwk h ALA 118 CO 1.29 -0.54 -0.05 -1.35 0.00 0.00 0.00 179.25 178.59 1gwk h PRO 119 N -0.19 0.00 -0.41 0.00 0.11 -1.90 -3.47 132.00 126.13 1gwk h PRO 119 Ca -0.01 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.96 1gwk h PRO 119 Cb 0.15 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.21 1gwk h PRO 119 CO 0.02 0.05 -0.13 0.41 -0.21 0.00 0.00 178.00 178.14 1gwk n GLY 120 N -0.63 0.79 0.33 -0.55 0.00 -0.98 -4.91 105.19 99.23 1gwk n GLY 120 Ca -0.02 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.40 1gwk n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gwk n ASN 121 N 0.88 1.43 0.00 1.61 3.02 -1.26 0.29 115.26 121.23 1gwk n ASN 121 Ca -0.07 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 1gwk n ASN 121 Cb 0.27 0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1gwk n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gwk n GLY 122 N 1.39 0.66 3.77 7.41 0.00 -1.26 -4.60 105.19 112.55 1gwk n GLY 122 Ca 0.10 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1gwk n GLY 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gwk s ASP 123 N -2.45 6.65 0.51 1.61 1.01 -1.26 -4.37 116.67 118.36 1gwk s ASP 123 Ca 0.00 2.77 -0.17 0.00 0.71 0.00 0.00 52.55 55.85 1gwk s ASP 123 Cb 0.00 -2.65 -0.08 0.00 1.01 0.00 0.00 42.92 41.21 1gwk s ASP 123 CO 0.00 -0.65 1.00 -0.13 0.21 0.00 0.00 175.17 175.59 1gwk s ARG 124 N -1.51 3.88 -0.03 8.23 0.52 -1.26 -4.38 118.95 124.39 1gwk s ARG 124 Ca 0.52 1.06 0.03 0.00 -0.52 0.00 0.00 55.73 56.82 1gwk s ARG 124 Cb -0.42 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 32.93 1gwk s ARG 124 CO 0.53 -0.33 -0.12 0.42 0.02 0.00 0.00 175.30 175.81 1gwk s ILE 125 N -2.47 1.04 -0.12 1.52 1.01 -0.56 -1.83 121.20 119.79 1gwk s ILE 125 Ca 0.61 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.80 1gwk s ILE 125 Cb -0.11 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1gwk s ILE 125 CO 0.28 0.31 -0.23 0.26 0.00 0.00 0.00 174.94 175.57 1gwk s TRP 126 N 0.17 2.61 0.01 3.97 0.51 0.37 0.52 118.94 127.11 1gwk s TRP 126 Ca -0.04 -1.14 0.03 0.00 -2.12 0.00 0.00 56.10 52.83 1gwk s TRP 126 Cb -0.10 -1.76 -0.01 0.00 -0.81 0.00 0.00 33.47 30.79 1gwk s TRP 126 CO 0.01 -0.48 -0.10 0.42 -0.51 0.00 0.00 176.95 176.29 1gwk s ILE 127 N 0.52 0.79 0.05 2.03 1.01 -1.26 -2.30 121.20 122.04 1gwk s ILE 127 Ca -0.14 -0.61 -0.13 0.00 0.00 0.00 0.00 60.65 59.77 1gwk s ILE 127 Cb -0.17 -0.70 0.02 0.00 0.01 0.00 0.00 42.46 41.62 1gwk s ILE 127 CO 0.05 0.09 0.28 -0.54 0.00 0.00 0.00 174.94 174.82 1gwk s LYS 128 N -0.58 0.80 -1.00 2.79 1.02 -0.87 -4.54 119.74 117.35 1gwk s LYS 128 Ca 0.02 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.41 1gwk s LYS 128 Cb -0.05 0.34 -0.02 0.00 -0.52 0.00 0.00 37.83 37.58 1gwk s LYS 128 CO 0.00 -0.26 0.85 0.09 -0.92 0.00 0.00 175.35 175.11 1gwk n ASN 129 N 0.50 -3.13 -4.65 2.83 3.02 -0.81 -0.25 115.26 112.79 1gwk n ASN 129 Ca -0.18 -0.56 -0.41 0.00 -0.03 0.00 0.00 54.58 53.40 1gwk n ASN 129 Cb 0.60 -4.53 -0.05 0.00 -0.61 0.00 0.00 39.78 35.18 1gwk n ASN 129 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1gwk s LEU 130 N -5.59 4.11 -0.01 3.41 2.96 -0.41 -3.68 118.68 119.48 1gwk s LEU 130 Ca 0.11 0.88 0.01 0.00 -0.22 0.00 0.00 54.13 54.91 1gwk s LEU 130 Cb -0.01 -2.99 0.00 0.00 0.50 0.00 0.00 46.19 43.69 1gwk s LEU 130 CO 0.64 -0.37 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.58 1gwk s VAL 131 N 2.31 0.22 -0.11 1.68 1.01 0.67 -0.48 120.40 125.71 1gwk s VAL 131 Ca 0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 1gwk s VAL 131 Cb -0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 1gwk s VAL 131 CO 0.09 0.08 0.06 -2.28 0.00 0.00 0.00 175.10 173.06 1gwk s HIS 132 N 0.13 3.34 0.05 5.22 2.46 0.40 -0.06 115.29 126.84 1gwk s HIS 132 Ca -0.01 0.32 0.09 0.00 0.47 0.00 0.00 55.06 55.93 1gwk s HIS 132 Cb -0.03 -1.88 -0.03 0.00 -0.13 0.00 0.00 32.58 30.51 1gwk s HIS 132 CO -0.00 0.55 -0.25 0.45 -2.47 0.00 0.00 174.74 173.01 1gwk s SER 133 N -0.82 3.30 0.55 9.88 0.15 0.19 0.29 113.70 127.23 1gwk s SER 133 Ca 0.13 -0.58 0.33 0.00 0.70 0.00 0.00 55.95 56.53 1gwk s SER 133 Cb -0.12 -0.34 1.41 0.00 -1.71 0.00 0.00 66.02 65.26 1gwk s SER 133 CO 0.03 0.25 2.00 0.71 1.20 0.00 0.00 173.24 177.43 1gwk h THR 134 N 4.14 0.12 -4.73 6.45 1.35 -1.58 -1.03 112.91 117.63 1gwk h THR 134 Ca -0.47 -0.55 -0.24 0.00 -0.55 0.00 0.00 66.41 64.59 1gwk h THR 134 Cb 1.15 1.49 0.03 0.00 -1.73 0.00 0.00 68.15 69.09 1gwk h THR 134 CO 0.44 0.04 0.03 0.61 -0.25 0.00 0.00 175.52 176.38 1gwk n GLY 135 N -0.10 1.13 3.92 5.82 0.00 -1.26 -3.75 105.19 110.95 1gwk n GLY 135 Ca 0.00 -2.06 -0.27 0.00 0.00 0.00 0.00 46.02 43.69 1gwk n GLY 135 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gwk s SER 136 N -3.00 4.57 0.09 1.61 1.04 -1.26 -2.54 113.70 114.21 1gwk s SER 136 Ca 0.33 0.52 -0.16 0.00 0.48 0.00 0.00 55.95 57.12 1gwk s SER 136 Cb -0.02 -1.06 -0.09 0.00 0.10 0.00 0.00 66.02 64.95 1gwk s SER 136 CO 0.22 -1.79 1.44 0.00 0.98 0.00 0.00 173.24 174.08 1gwk h ALA 137 N -0.82 0.39 -0.66 5.32 0.00 -1.87 -2.27 119.26 119.33 1gwk h ALA 137 Ca -0.45 -0.34 0.13 0.00 0.00 0.00 0.00 54.91 54.25 1gwk h ALA 137 Cb 1.31 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1gwk h ALA 137 CO 0.60 0.31 0.45 -0.44 0.00 0.00 0.00 179.25 180.16 1gwk h ASP 138 N 0.33 0.33 -0.03 0.00 5.19 -1.94 -2.34 116.42 117.98 1gwk h ASP 138 Ca 0.06 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1gwk h ASP 138 Cb 0.71 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1gwk h ASP 138 CO 0.05 0.19 0.00 0.47 -3.12 0.00 0.00 179.24 176.82 1gwk n ASP 139 N -4.46 2.20 -4.65 6.45 8.00 -1.04 -4.95 116.55 118.10 1gwk n ASP 139 Ca 0.12 -1.73 -0.42 0.00 0.71 0.00 0.00 54.79 53.46 1gwk n ASP 139 Cb 0.47 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 1gwk n ASP 139 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1gwk s PHE 140 N -1.99 1.36 -0.52 1.24 2.19 -0.88 -4.90 117.98 114.47 1gwk s PHE 140 Ca 0.33 -0.28 -0.13 0.00 0.33 0.00 0.00 56.93 57.18 1gwk s PHE 140 Cb 0.21 -4.18 0.13 0.00 -1.31 0.00 0.00 43.02 37.86 1gwk s PHE 140 CO 0.32 -5.21 0.44 0.08 1.83 0.00 0.00 175.22 172.68 1gwk s VAL 141 N 4.80 4.80 -0.28 3.12 1.01 -1.26 -5.05 120.40 127.53 1gwk s VAL 141 Ca 0.88 -1.63 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 1gwk s VAL 141 Cb -0.40 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 1gwk s VAL 141 CO 0.39 -0.83 2.15 -0.62 0.00 0.00 0.00 175.10 176.19 1gwk s ASP 142 N 3.20 5.42 0.34 3.32 2.15 -1.26 -4.89 116.67 124.94 1gwk s ASP 142 Ca 0.04 1.65 0.08 0.00 0.43 0.00 0.00 52.55 54.76 1gwk s ASP 142 Cb -0.28 -2.51 0.60 0.00 -0.30 0.00 0.00 42.92 40.43 1gwk s ASP 142 CO 0.01 -2.02 1.79 1.55 -0.17 0.00 0.00 175.17 176.33 1gwk h PRO 143 N 15.14 0.20 -0.37 4.34 0.13 -1.97 -3.04 132.00 146.43 1gwk h PRO 143 Ca -0.37 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1gwk h PRO 143 Cb 1.23 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1gwk h PRO 143 CO 1.00 0.50 0.05 0.82 -0.23 0.00 0.00 178.00 180.14 1gwk h ILE 144 N 0.18 1.24 0.00 -3.56 2.04 -1.99 -3.66 117.51 111.76 1gwk h ILE 144 Ca 0.03 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1gwk h ILE 144 Cb 0.64 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1gwk h ILE 144 CO 0.05 0.30 0.00 0.78 0.00 0.00 0.00 178.15 179.27 1gwk h ASN 145 N 0.46 0.00 -0.95 1.72 4.21 -1.94 -3.04 115.58 116.04 1gwk h ASN 145 Ca 0.11 0.00 -0.63 0.00 1.21 0.00 0.00 56.30 56.99 1gwk h ASN 145 Cb 0.38 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 37.49 1gwk h ASN 145 CO 0.01 0.00 1.86 -1.48 -1.29 0.00 0.00 177.43 176.53 1gwk s LEU 146 N -5.77 3.67 -0.03 1.61 0.05 -1.21 -4.31 118.68 112.69 1gwk s LEU 146 Ca -0.04 -1.98 0.21 0.00 0.05 0.00 0.00 54.13 52.37 1gwk s LEU 146 Cb 0.11 -2.58 -0.32 0.00 -2.05 0.00 0.00 46.19 41.36 1gwk s LEU 146 CO 0.37 -1.39 0.50 -1.84 -0.55 0.00 0.00 176.35 173.45 1gwk n GLU 147 N 8.61 0.60 0.00 1.48 0.28 -1.15 -5.00 120.64 125.46 1gwk n GLU 147 Ca 0.42 -0.18 0.14 0.00 -0.16 0.00 0.00 57.16 57.38 1gwk n GLU 147 Cb 0.48 -1.50 0.52 0.00 1.43 0.00 0.00 31.44 32.37 1gwk n GLU 147 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58