#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugk s SER 2 N 0.00 3.99 -0.54 1.61 1.04 -1.26 -5.10 113.70 113.44 1ugk s SER 2 Ca 0.00 -0.89 -0.11 0.00 0.48 0.00 0.00 55.95 55.43 1ugk s SER 2 Cb 0.00 -0.52 0.14 0.00 0.10 0.00 0.00 66.02 65.74 1ugk s SER 2 CO 0.00 -0.00 0.44 -0.55 0.98 0.00 0.00 173.24 174.10 1ugk s SER 3 N -3.59 5.92 0.00 7.02 0.15 -1.26 -4.87 113.70 117.07 1ugk s SER 3 Ca 0.31 -2.03 0.00 0.00 0.70 0.00 0.00 55.95 54.93 1ugk s SER 3 Cb -0.05 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1ugk s SER 3 CO 0.17 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.52 1ugk n GLY 4 N 4.81 3.03 3.08 9.45 0.00 -1.26 -5.16 105.19 119.13 1ugk n GLY 4 Ca -0.06 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 1ugk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugk s SER 5 N 0.00 1.27 -0.45 1.61 0.01 -1.26 -5.10 113.70 109.78 1ugk s SER 5 Ca 0.00 -0.35 0.06 0.00 1.31 0.00 0.00 55.95 56.98 1ugk s SER 5 Cb 0.00 -0.09 0.18 0.00 0.21 0.00 0.00 66.02 66.32 1ugk s SER 5 CO 0.00 0.03 0.59 -0.44 0.41 0.00 0.00 173.24 173.83 1ugk s SER 6 N -0.82 -0.71 0.07 2.44 0.01 -1.26 -5.11 113.70 108.33 1ugk s SER 6 Ca 0.00 -1.56 0.00 0.00 1.31 0.00 0.00 55.95 55.71 1ugk s SER 6 Cb -0.06 1.43 0.00 0.00 0.21 0.00 0.00 66.02 67.60 1ugk s SER 6 CO 0.00 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1ugk n GLY 7 N 3.63 -3.33 0.32 3.44 0.00 -1.26 -4.71 105.19 103.26 1ugk n GLY 7 Ca 0.16 -1.03 0.03 0.00 0.00 0.00 0.00 46.02 45.17 1ugk n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ugk n LEU 8 N -0.77 0.91 0.00 0.99 7.99 0.50 -4.98 117.00 121.64 1ugk n LEU 8 Ca 0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 56.01 55.55 1ugk n LEU 8 Cb 0.00 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 1ugk n LEU 8 CO 0.00 0.22 0.00 0.61 -1.51 0.00 0.00 177.39 176.71 1ugk n GLY 9 N 0.75 -0.08 3.64 -0.72 0.00 -0.52 -3.74 105.19 104.53 1ugk n GLY 9 Ca 0.06 -2.28 -0.26 0.00 0.00 0.00 0.00 46.02 43.53 1ugk n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugk s THR 10 N -0.70 2.30 -0.06 2.61 2.01 0.42 -0.05 115.64 122.16 1ugk s THR 10 Ca 0.00 -1.94 -0.01 0.00 0.31 0.00 0.00 61.69 60.05 1ugk s THR 10 Cb 0.00 -2.89 0.03 0.00 0.01 0.00 0.00 72.50 69.65 1ugk s THR 10 CO 0.00 -0.09 0.00 -0.22 -0.69 0.00 0.00 174.62 173.62 1ugk s LEU 11 N -3.75 0.69 -0.11 4.42 1.98 -0.04 -2.59 118.68 119.28 1ugk s LEU 11 Ca 0.36 -0.07 -0.02 0.00 -2.89 0.00 0.00 54.13 51.51 1ugk s LEU 11 Cb 0.04 -0.39 -0.03 0.00 0.66 0.00 0.00 46.19 46.47 1ugk s LEU 11 CO 0.19 -0.17 -0.02 -0.36 -1.89 0.00 0.00 176.35 174.11 1ugk s PHE 12 N 1.77 3.10 0.31 5.38 0.08 -0.80 -1.35 117.98 126.47 1ugk s PHE 12 Ca 0.02 0.02 -0.19 0.00 0.12 0.00 0.00 56.93 56.90 1ugk s PHE 12 Cb -0.13 -1.85 0.04 0.00 -0.57 0.00 0.00 43.02 40.51 1ugk s PHE 12 CO -0.04 0.28 0.76 -0.59 -0.10 0.00 0.00 175.22 175.53 1ugk s PHE 13 N -0.43 -0.07 -0.13 0.36 -0.71 0.16 -1.65 117.98 115.51 1ugk s PHE 13 Ca 0.07 -0.47 -0.07 0.00 -1.04 0.00 0.00 56.93 55.43 1ugk s PHE 13 Cb -0.12 0.76 0.05 0.00 -1.21 0.00 0.00 43.02 42.50 1ugk s PHE 13 CO 0.02 -1.35 0.32 -1.54 -1.34 0.00 0.00 175.22 171.33 1ugk s SER 14 N -2.98 -0.37 0.00 1.98 1.04 -0.81 0.58 113.70 113.14 1ugk s SER 14 Ca 0.13 0.69 -0.19 0.00 0.48 0.00 0.00 55.95 57.06 1ugk s SER 14 Cb -0.05 0.58 -0.06 0.00 0.10 0.00 0.00 66.02 66.59 1ugk s SER 14 CO 0.08 -0.18 0.56 -0.76 0.98 0.00 0.00 173.24 173.92 1ugk s LEU 15 N 1.35 4.44 -0.09 2.42 2.01 -1.02 -1.68 118.68 126.11 1ugk s LEU 15 Ca -0.09 1.13 -0.04 0.00 0.01 0.00 0.00 54.13 55.14 1ugk s LEU 15 Cb -0.10 -2.86 0.05 0.00 0.01 0.00 0.00 46.19 43.29 1ugk s LEU 15 CO -0.10 0.16 0.19 -0.70 1.01 0.00 0.00 176.35 176.90 1ugk s GLU 16 N -0.44 0.12 -0.14 1.70 2.12 0.41 -2.69 118.70 119.79 1ugk s GLU 16 Ca 0.29 0.49 -0.05 0.00 0.36 0.00 0.00 54.97 56.07 1ugk s GLU 16 Cb -0.18 -0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.01 1ugk s GLU 16 CO 0.17 -0.21 0.04 -0.47 -0.54 0.00 0.00 175.26 174.25 1ugk s TYR 17 N 1.55 3.24 -1.52 5.30 6.14 -1.26 0.21 117.35 131.01 1ugk s TYR 17 Ca -0.06 0.13 -0.09 0.00 0.64 0.00 0.00 57.07 57.70 1ugk s TYR 17 Cb -0.11 -1.95 -0.01 0.00 0.42 0.00 0.00 41.96 40.31 1ugk s TYR 17 CO -0.07 0.32 2.73 -1.71 0.64 0.00 0.00 175.55 177.46 1ugk n ASN 18 N 2.85 8.23 -0.33 4.32 2.85 0.45 -4.73 115.26 128.90 1ugk n ASN 18 Ca -0.18 -2.77 0.04 0.00 -0.11 0.00 0.00 54.58 51.56 1ugk n ASN 18 Cb 0.53 -1.50 0.12 0.00 1.24 0.00 0.00 39.78 40.17 1ugk n ASN 18 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1ugk h PHE 19 N 4.94 -0.53 -0.77 1.20 -1.00 -1.93 1.82 116.94 120.68 1ugk h PHE 19 Ca 0.80 0.08 0.18 0.00 2.81 0.00 0.00 57.97 61.84 1ugk h PHE 19 Cb 0.31 0.37 -0.14 0.00 3.61 0.00 0.00 35.95 40.11 1ugk h PHE 19 CO 1.77 -0.40 -0.01 1.49 -1.61 0.00 0.00 178.31 179.55 1ugk h GLU 20 N -0.00 0.08 -0.44 1.51 4.57 -1.94 0.44 114.58 118.79 1ugk h GLU 20 Ca 0.43 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.52 1ugk h GLU 20 Cb 0.67 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.18 1ugk h GLU 20 CO -0.95 0.06 0.07 0.54 -1.18 0.00 0.00 179.01 177.55 1ugk n ARG 21 N -5.37 3.17 -3.66 1.92 1.74 0.20 -4.98 116.66 109.68 1ugk n ARG 21 Ca 0.14 -3.01 -0.23 0.00 -0.77 0.00 0.00 57.85 53.98 1ugk n ARG 21 Cb 0.48 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 1ugk n ARG 21 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ugk n LYS 22 N -0.41 -1.24 -4.19 5.56 4.76 0.56 -4.90 118.16 118.31 1ugk n LYS 22 Ca 0.30 0.57 -0.14 0.00 -2.87 0.00 0.00 58.31 56.17 1ugk n LYS 22 Cb 1.09 -1.90 -0.09 0.00 -1.84 0.00 0.00 35.03 32.29 1ugk n LYS 22 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ugk s ALA 23 N -2.93 1.13 -0.02 7.82 0.00 -0.31 -4.17 121.76 123.28 1ugk s ALA 23 Ca 0.04 -1.68 0.08 0.00 0.00 0.00 0.00 51.96 50.40 1ugk s ALA 23 Cb -0.02 1.35 -0.02 0.00 0.00 0.00 0.00 23.12 24.43 1ugk s ALA 23 CO 0.78 -0.65 -0.24 0.12 0.00 0.00 0.00 175.76 175.76 1ugk s PHE 24 N -3.89 2.18 -0.06 0.00 5.36 -0.22 0.17 117.98 121.51 1ugk s PHE 24 Ca 0.37 -0.41 0.01 0.00 -0.96 0.00 0.00 56.93 55.94 1ugk s PHE 24 Cb 0.04 -1.40 0.02 0.00 -0.34 0.00 0.00 43.02 41.34 1ugk s PHE 24 CO 0.16 -0.03 -0.08 0.08 -1.46 0.00 0.00 175.22 173.88 1ugk s VAL 25 N -0.57 0.87 -0.52 3.12 1.01 0.56 -1.50 120.40 123.37 1ugk s VAL 25 Ca 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 1ugk s VAL 25 Cb -0.09 -0.84 0.13 0.00 0.00 0.00 0.00 36.38 35.58 1ugk s VAL 25 CO -0.01 0.30 0.29 -0.69 0.00 0.00 0.00 175.10 175.00 1ugk s VAL 26 N 0.89 3.14 -0.01 2.92 1.01 -1.17 -0.44 120.40 126.74 1ugk s VAL 26 Ca -0.11 -2.79 -0.30 0.00 0.00 0.00 0.00 61.98 58.78 1ugk s VAL 26 Cb -0.15 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1ugk s VAL 26 CO 0.01 -0.78 1.13 0.21 0.00 0.00 0.00 175.10 175.67 1ugk s ASN 27 N 0.69 7.15 -0.47 3.32 3.84 -0.68 -3.52 114.94 125.28 1ugk s ASN 27 Ca 0.14 1.81 -0.08 0.00 0.21 0.00 0.00 52.86 54.95 1ugk s ASN 27 Cb -0.22 -2.57 0.12 0.00 -0.55 0.00 0.00 41.25 38.03 1ugk s ASN 27 CO -0.03 -0.46 0.32 -0.63 -2.79 0.00 0.00 177.10 173.51 1ugk s ILE 28 N 1.53 3.99 0.00 -5.21 1.01 -0.64 -1.93 121.20 119.95 1ugk s ILE 28 Ca 0.55 -1.90 0.00 0.00 0.00 0.00 0.00 60.65 59.30 1ugk s ILE 28 Cb -0.25 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.57 1ugk s ILE 28 CO 0.25 -0.76 0.00 1.17 0.00 0.00 0.00 174.94 175.60 1ugk n LYS 29 N 4.77 2.42 -4.19 2.79 3.00 -0.66 -0.07 118.16 126.23 1ugk n LYS 29 Ca -0.06 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 57.98 1ugk n LYS 29 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.39 1ugk n LYS 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1ugk s GLU 30 N 0.00 2.23 0.13 1.64 -1.05 -1.23 -1.54 118.70 118.88 1ugk s GLU 30 Ca 0.00 -2.04 0.06 0.00 -0.15 0.00 0.00 54.97 52.85 1ugk s GLU 30 Cb 0.00 -1.92 -0.04 0.00 -0.44 0.00 0.00 34.13 31.73 1ugk s GLU 30 CO 0.00 -0.35 -0.15 0.00 0.95 0.00 0.00 175.26 175.71 1ugk s ALA 31 N -2.73 1.57 -0.06 -0.84 0.00 -0.58 -1.91 121.76 117.22 1ugk s ALA 31 Ca 0.30 -1.31 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 1ugk s ALA 31 Cb 0.01 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.05 1ugk s ALA 31 CO 0.17 0.14 0.23 1.03 0.00 0.00 0.00 175.76 177.33 1ugk s ARG 32 N -2.62 0.37 0.00 0.00 0.52 -1.07 -3.55 118.95 112.60 1ugk s ARG 32 Ca 0.09 0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 1ugk s ARG 32 Cb -0.05 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.58 1ugk s ARG 32 CO 0.04 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.70 1ugk n GLY 33 N 2.46 1.44 3.62 -3.53 0.00 -1.26 0.16 105.19 108.08 1ugk n GLY 33 Ca -0.16 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 1ugk n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugk s LEU 34 N -0.06 4.06 0.11 0.99 1.43 -1.22 -1.44 118.68 122.56 1ugk s LEU 34 Ca 0.00 0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 53.31 1ugk s LEU 34 Cb 0.00 -2.65 -0.06 0.00 0.03 0.00 0.00 46.19 43.51 1ugk s LEU 34 CO 0.00 -0.27 1.14 -2.16 0.23 0.00 0.00 176.35 175.29 1ugk s PRO 35 N 2.23 4.51 -0.21 1.29 0.04 -1.26 -4.70 135.00 136.89 1ugk s PRO 35 Ca 0.21 1.73 -0.33 0.00 0.04 0.00 0.00 61.00 62.64 1ugk s PRO 35 Cb -0.16 -3.32 -0.10 0.00 0.04 0.00 0.00 34.50 30.96 1ugk s PRO 35 CO 0.09 -0.09 2.06 0.00 0.04 0.00 0.00 177.00 179.09 1ugk n ALA 36 N 3.17 1.10 -0.02 8.56 0.00 -1.26 -4.83 120.51 127.23 1ugk n ALA 36 Ca 0.06 0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.38 1ugk n ALA 36 Cb 0.46 -2.60 -0.08 0.00 0.00 0.00 0.00 19.45 17.24 1ugk n ALA 36 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1ugk h MET 37 N 11.48 0.75 -5.90 0.00 2.86 -1.92 -3.46 114.93 118.74 1ugk h MET 37 Ca -0.40 -0.63 -0.56 0.00 -2.06 0.00 0.00 59.70 56.05 1ugk h MET 37 Cb 1.28 0.14 -0.08 0.00 0.06 0.00 0.00 31.60 33.00 1ugk h MET 37 CO 0.98 1.24 -0.49 -0.51 1.06 0.00 0.00 176.91 179.18 1ugk s ASP 38 N -7.06 4.44 0.00 1.22 1.11 -1.25 -5.10 116.67 110.03 1ugk s ASP 38 Ca -0.11 -1.08 0.00 0.00 0.18 0.00 0.00 52.55 51.55 1ugk s ASP 38 Cb 0.08 -0.47 0.00 0.00 1.07 0.00 0.00 42.92 43.60 1ugk s ASP 38 CO 0.90 -0.55 0.00 -0.62 1.18 0.00 0.00 175.17 176.07 1ugk n GLU 39 N -1.25 0.00 0.00 8.23 -0.58 -1.26 -3.61 120.64 122.17 1ugk n GLU 39 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1ugk n GLU 39 Cb 0.64 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.51 1ugk n GLU 39 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1ugk n GLN 40 N 0.00 0.00 -1.70 3.49 6.02 -1.26 -1.68 117.38 122.25 1ugk n GLN 40 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1ugk n GLN 40 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 1ugk n GLN 40 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ugk n SER 41 N 1.44 0.01 -3.42 1.08 7.64 -1.26 -5.02 113.62 114.09 1ugk n SER 41 Ca 0.00 -2.04 -0.20 0.00 1.01 0.00 0.00 58.87 57.64 1ugk n SER 41 Cb 0.00 0.03 0.05 0.00 -1.01 0.00 0.00 64.21 63.28 1ugk n SER 41 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1ugk n MET 42 N -0.15 -1.67 -3.84 1.43 1.56 -0.67 -5.00 117.12 108.77 1ugk n MET 42 Ca -0.09 0.78 -0.05 0.00 -0.27 0.00 0.00 57.70 58.07 1ugk n MET 42 Cb 0.90 -4.98 0.01 0.00 2.15 0.00 0.00 33.22 31.30 1ugk n MET 42 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1ugk s THR 43 N -3.35 0.00 0.23 1.12 -1.32 -1.23 -4.91 115.64 106.18 1ugk s THR 43 Ca 0.39 -0.71 -0.21 0.00 -1.21 0.00 0.00 61.69 59.94 1ugk s THR 43 Cb -0.09 -2.70 0.07 0.00 -1.51 0.00 0.00 72.50 68.26 1ugk s THR 43 CO 0.80 0.00 0.95 -0.94 -2.21 0.00 0.00 174.62 173.22 1ugk s SER 44 N -3.23 -0.05 -0.71 8.08 1.04 -1.26 -3.80 113.70 113.78 1ugk s SER 44 Ca 0.18 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.94 1ugk s SER 44 Cb -0.03 0.59 0.23 0.00 0.10 0.00 0.00 66.02 66.91 1ugk s SER 44 CO 0.06 -1.15 0.74 0.47 0.98 0.00 0.00 173.24 174.34 1ugk n ASP 45 N -1.07 3.81 -4.78 7.02 8.00 -1.24 -1.24 116.55 127.05 1ugk n ASP 45 Ca -0.05 -3.37 -0.37 0.00 0.71 0.00 0.00 54.79 51.72 1ugk n ASP 45 Cb 0.60 -0.76 -0.04 0.00 -0.02 0.00 0.00 41.12 40.90 1ugk n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1ugk s PRO 46 N -2.18 4.20 -0.04 -0.24 0.04 -1.26 -1.86 135.00 133.66 1ugk s PRO 46 Ca 0.35 1.55 -0.03 0.00 0.04 0.00 0.00 61.00 62.91 1ugk s PRO 46 Cb 0.08 -2.60 0.01 0.00 0.04 0.00 0.00 34.50 32.03 1ugk s PRO 46 CO -0.05 -0.12 0.09 1.52 0.04 0.00 0.00 177.00 178.48 1ugk s TYR 47 N -1.61 -0.10 -0.04 0.56 1.13 -1.20 -4.00 117.35 112.09 1ugk s TYR 47 Ca 0.57 0.25 -0.16 0.00 -1.41 0.00 0.00 57.07 56.32 1ugk s TYR 47 Cb -0.23 0.02 -0.05 0.00 -1.10 0.00 0.00 41.96 40.60 1ugk s TYR 47 CO 0.29 -0.06 0.42 0.42 -2.51 0.00 0.00 175.55 174.11 1ugk s ILE 48 N 0.14 5.09 0.18 -3.49 1.01 -1.26 -2.45 121.20 120.42 1ugk s ILE 48 Ca -0.01 0.84 0.04 0.00 0.00 0.00 0.00 60.65 61.53 1ugk s ILE 48 Cb -0.02 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1ugk s ILE 48 CO -0.00 0.50 0.21 -0.54 0.00 0.00 0.00 174.94 175.10 1ugk s LYS 49 N -0.50 3.13 0.11 2.79 1.02 -0.49 -2.27 119.74 123.53 1ugk s LYS 49 Ca 0.24 -0.79 0.09 0.00 0.02 0.00 0.00 55.97 55.52 1ugk s LYS 49 Cb -0.16 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 1ugk s LYS 49 CO 0.12 0.48 -0.22 1.41 -0.92 0.00 0.00 175.35 176.21 1ugk s MET 50 N -3.31 1.20 -0.27 1.68 1.75 0.33 -2.81 119.30 117.86 1ugk s MET 50 Ca 0.33 -1.21 -0.23 0.00 -1.25 0.00 0.00 55.69 53.32 1ugk s MET 50 Cb -0.10 -1.52 0.08 0.00 2.84 0.00 0.00 34.83 36.12 1ugk s MET 50 CO 0.26 0.36 0.73 0.99 -0.65 0.00 0.00 175.02 176.71 1ugk s THR 51 N -1.14 0.00 -0.79 10.11 2.01 -1.23 -2.32 115.64 122.27 1ugk s THR 51 Ca 0.08 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.92 1ugk s THR 51 Cb -0.10 -1.00 0.17 0.00 0.01 0.00 0.00 72.50 71.58 1ugk s THR 51 CO 0.05 0.00 0.83 -0.63 -0.69 0.00 0.00 174.62 174.17 1ugk s ILE 52 N 0.61 5.21 0.48 1.82 1.01 -1.13 -2.19 121.20 127.02 1ugk s ILE 52 Ca -0.02 -1.90 -0.11 0.00 0.00 0.00 0.00 60.65 58.62 1ugk s ILE 52 Cb -0.05 -4.54 -0.06 0.00 0.01 0.00 0.00 42.46 37.82 1ugk s ILE 52 CO -0.03 -1.16 0.87 -0.76 0.00 0.00 0.00 174.94 173.86 1ugk s LEU 53 N 1.38 3.65 0.37 2.97 2.01 0.40 0.20 118.68 129.66 1ugk s LEU 53 Ca 0.19 1.25 0.20 0.00 0.01 0.00 0.00 54.13 55.78 1ugk s LEU 53 Cb -0.13 -4.18 0.55 0.00 0.01 0.00 0.00 46.19 42.44 1ugk s LEU 53 CO -0.05 -0.55 1.67 1.55 1.01 0.00 0.00 176.35 179.97 1ugk h PRO 54 N 0.75 0.00 -0.02 1.29 0.13 -1.83 0.63 132.00 132.95 1ugk h PRO 54 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ugk h PRO 54 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ugk h PRO 54 CO 0.63 0.34 -0.01 0.39 -0.23 0.00 0.00 178.00 179.11 1ugk n GLU 55 N -3.34 -0.01 -0.71 0.86 4.71 -0.96 -4.69 120.64 116.49 1ugk n GLU 55 Ca 0.01 0.23 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 1ugk n GLU 55 Cb 0.56 -0.35 0.00 0.00 -1.01 0.00 0.00 31.44 30.64 1ugk n GLU 55 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1ugk n LYS 56 N -2.44 0.00 0.00 3.49 4.81 0.52 -4.93 118.16 119.62 1ugk n LYS 56 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ugk n LYS 56 Cb 0.01 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 32.93 1ugk n LYS 56 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1ugk n LYS 57 N -2.00 0.00 -1.52 1.64 4.76 -1.26 -4.44 118.16 115.34 1ugk n LYS 57 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 1ugk n LYS 57 Cb 0.00 -0.63 -0.15 0.00 -1.84 0.00 0.00 35.03 32.41 1ugk n LYS 57 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1ugk n HIS 58 N -0.30 0.60 -4.20 2.13 8.25 -1.26 -4.85 115.22 115.60 1ugk n HIS 58 Ca 0.00 0.10 -0.34 0.00 -0.26 0.00 0.00 57.72 57.22 1ugk n HIS 58 Cb 0.00 -1.73 -0.14 0.00 1.12 0.00 0.00 29.99 29.24 1ugk n HIS 58 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1ugk s LYS 59 N 8.10 3.44 0.02 -0.41 2.20 -1.26 -2.82 119.74 129.01 1ugk s LYS 59 Ca 1.19 -0.61 0.01 0.00 -0.36 0.00 0.00 55.97 56.20 1ugk s LYS 59 Cb -0.68 -2.91 -0.01 0.00 -1.51 0.00 0.00 37.83 32.71 1ugk s LYS 59 CO 0.39 -0.02 -0.05 0.14 -0.36 0.00 0.00 175.35 175.46 1ugk s VAL 60 N 1.01 0.34 0.26 4.02 -7.23 -0.98 -5.02 120.40 112.80 1ugk s VAL 60 Ca 0.00 -0.69 0.07 0.00 -1.81 0.00 0.00 61.98 59.56 1ugk s VAL 60 Cb -0.15 -0.39 -0.05 0.00 0.56 0.00 0.00 36.38 36.35 1ugk s VAL 60 CO 0.00 -0.23 -0.09 -1.59 -0.31 0.00 0.00 175.10 172.87 1ugk s LYS 61 N -0.98 1.51 0.16 4.82 -2.85 -1.26 0.12 119.74 121.26 1ugk s LYS 61 Ca -0.07 -1.74 0.04 0.00 -1.00 0.00 0.00 55.97 53.20 1ugk s LYS 61 Cb -0.07 -1.21 -0.04 0.00 -2.06 0.00 0.00 37.83 34.45 1ugk s LYS 61 CO -0.00 0.10 0.21 0.95 0.10 0.00 0.00 175.35 176.72 1ugk s THR 62 N -2.95 4.89 0.09 3.79 -4.23 -0.96 -4.95 115.64 111.32 1ugk s THR 62 Ca 0.28 -0.91 -0.31 0.00 -1.18 0.00 0.00 61.69 59.56 1ugk s THR 62 Cb 0.02 -3.52 -0.09 0.00 1.34 0.00 0.00 72.50 70.25 1ugk s THR 62 CO 0.11 -0.12 1.67 0.00 -0.54 0.00 0.00 174.62 175.74 1ugk s ARG 63 N -3.23 4.19 -0.00 3.99 1.04 -1.26 -4.67 118.95 119.01 1ugk s ARG 63 Ca 0.33 2.37 -0.30 0.00 -1.04 0.00 0.00 55.73 57.09 1ugk s ARG 63 Cb -0.10 -3.55 -0.04 0.00 -2.04 0.00 0.00 34.95 29.22 1ugk s ARG 63 CO 0.26 -0.74 1.10 0.14 -0.04 0.00 0.00 175.30 176.02 1ugk s VAL 64 N 2.49 4.46 0.90 4.99 -7.23 -1.26 -4.79 120.40 119.96 1ugk s VAL 64 Ca 0.74 1.77 -0.12 0.00 -1.81 0.00 0.00 61.98 62.56 1ugk s VAL 64 Cb -0.41 -4.13 0.13 0.00 0.56 0.00 0.00 36.38 32.53 1ugk s VAL 64 CO 0.33 0.09 1.11 -0.76 -0.31 0.00 0.00 175.10 175.56 1ugk s LEU 65 N 1.38 2.10 -0.26 1.32 2.01 -1.26 -5.00 118.68 118.97 1ugk s LEU 65 Ca 0.55 1.21 -0.05 0.00 0.01 0.00 0.00 54.13 55.85 1ugk s LEU 65 Cb -0.24 -3.59 0.01 0.00 0.01 0.00 0.00 46.19 42.37 1ugk s LEU 65 CO 0.26 -2.58 0.01 -0.13 1.01 0.00 0.00 176.35 174.92 1ugk s ARG 66 N -5.10 3.11 -0.38 1.70 1.81 -1.26 -4.24 118.95 114.59 1ugk s ARG 66 Ca 0.63 -0.82 -0.18 0.00 -1.72 0.00 0.00 55.73 53.65 1ugk s ARG 66 Cb -0.16 -3.17 0.02 0.00 -0.45 0.00 0.00 34.95 31.19 1ugk s ARG 66 CO 0.55 -0.36 0.47 1.63 -0.68 0.00 0.00 175.30 176.92 1ugk n LYS 67 N 4.79 -2.31 -3.53 3.54 5.02 -1.21 -5.01 118.16 119.46 1ugk n LYS 67 Ca -0.16 1.97 0.01 0.00 -2.02 0.00 0.00 58.31 58.12 1ugk n LYS 67 Cb 0.49 -4.41 -0.06 0.00 -0.02 0.00 0.00 35.03 31.03 1ugk n LYS 67 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1ugk s THR 68 N -2.05 -0.08 -0.33 -0.18 -1.32 -0.38 -4.87 115.64 106.44 1ugk s THR 68 Ca 0.22 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.92 1ugk s THR 68 Cb -0.05 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.12 1ugk s THR 68 CO 0.74 0.00 1.37 -0.07 -2.21 0.00 0.00 174.62 174.45 1ugk h LEU 69 N 6.04 0.00 -7.12 9.08 -0.00 -1.84 -3.39 115.31 118.08 1ugk h LEU 69 Ca -0.23 0.00 -0.63 0.00 -0.00 0.00 0.00 57.88 57.02 1ugk h LEU 69 Cb 1.15 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 41.40 1ugk h LEU 69 CO 0.17 0.06 -0.50 1.51 -0.00 0.00 0.00 178.44 179.68 1ugk s ASP 70 N -5.91 5.01 0.45 -0.43 -4.77 -1.26 -3.39 116.67 106.36 1ugk s ASP 70 Ca 0.04 -3.85 -0.22 0.00 -3.30 0.00 0.00 52.55 45.22 1ugk s ASP 70 Cb 0.07 -1.68 -0.09 0.00 -1.09 0.00 0.00 42.92 40.13 1ugk s ASP 70 CO 0.72 -0.10 1.04 -2.16 0.70 0.00 0.00 175.17 175.38 1ugk s PRO 71 N -1.45 3.95 -0.42 2.11 0.04 -1.23 -4.86 135.00 133.13 1ugk s PRO 71 Ca 0.25 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.74 1ugk s PRO 71 Cb -0.05 -2.28 0.13 0.00 0.04 0.00 0.00 34.50 32.34 1ugk s PRO 71 CO -0.16 -0.31 0.20 0.00 0.04 0.00 0.00 177.00 176.77 1ugk s ALA 72 N -1.85 2.18 -0.09 8.56 0.00 -1.26 -1.52 121.76 127.78 1ugk s ALA 72 Ca 0.63 -2.48 -0.22 0.00 0.00 0.00 0.00 51.96 49.89 1ugk s ALA 72 Cb -0.19 -1.87 -0.29 0.00 0.00 0.00 0.00 23.12 20.78 1ugk s ALA 72 CO 0.23 -1.97 0.76 0.74 0.00 0.00 0.00 175.76 175.52 1ugk h PHE 73 N 7.01 0.36 -7.01 0.00 0.04 -1.78 -3.48 116.94 112.09 1ugk h PHE 73 Ca -0.04 -0.27 -0.60 0.00 2.80 0.00 0.00 57.97 59.87 1ugk h PHE 73 Cb 0.95 -0.01 -0.27 0.00 2.20 0.00 0.00 35.95 38.81 1ugk h PHE 73 CO 0.46 1.30 -0.91 -3.47 -0.60 0.00 0.00 178.31 175.09 1ugk n ASP 74 N -4.22 -1.21 -3.66 2.17 2.03 0.90 -4.90 116.55 107.66 1ugk n ASP 74 Ca -0.16 -1.18 -0.21 0.00 0.52 0.00 0.00 54.79 53.75 1ugk n ASP 74 Cb 0.75 -1.99 0.14 0.00 -0.72 0.00 0.00 41.12 39.30 1ugk n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ugk n GLU 75 N -4.31 -0.67 -3.64 -0.67 -0.58 -0.28 -4.82 120.64 105.68 1ugk n GLU 75 Ca -0.06 -1.79 -0.05 0.00 -0.42 0.00 0.00 57.16 54.84 1ugk n GLU 75 Cb 0.55 -0.89 -0.06 0.00 -0.57 0.00 0.00 31.44 30.47 1ugk n GLU 75 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1ugk s THR 76 N -2.98 -0.31 0.30 2.62 2.01 -1.26 -1.63 115.64 114.39 1ugk s THR 76 Ca 0.57 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.66 1ugk s THR 76 Cb -0.02 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1ugk s THR 76 CO 0.39 0.00 0.06 -0.36 -0.69 0.00 0.00 174.62 174.02 1ugk s PHE 77 N 2.01 2.71 0.09 4.92 0.08 -1.23 -4.98 117.98 121.59 1ugk s PHE 77 Ca -0.09 -0.29 0.04 0.00 0.12 0.00 0.00 56.93 56.72 1ugk s PHE 77 Cb -0.07 -1.38 -0.03 0.00 -0.57 0.00 0.00 43.02 40.96 1ugk s PHE 77 CO -0.19 0.51 -0.11 0.99 -0.10 0.00 0.00 175.22 176.31 1ugk s THR 78 N -2.36 1.01 -0.24 0.64 2.01 -1.26 -3.05 115.64 112.39 1ugk s THR 78 Ca 0.34 -1.57 -0.13 0.00 0.31 0.00 0.00 61.69 60.64 1ugk s THR 78 Cb -0.05 -1.30 0.08 0.00 0.01 0.00 0.00 72.50 71.24 1ugk s THR 78 CO 0.21 -0.47 0.57 -0.36 -0.69 0.00 0.00 174.62 173.88 1ugk s PHE 79 N -2.15 -0.90 0.00 4.92 0.08 -0.56 -4.97 117.98 114.40 1ugk s PHE 79 Ca 0.04 1.81 0.04 0.00 0.12 0.00 0.00 56.93 58.93 1ugk s PHE 79 Cb -0.05 0.50 -0.03 0.00 -0.57 0.00 0.00 43.02 42.87 1ugk s PHE 79 CO 0.01 -0.47 -0.09 0.71 -0.10 0.00 0.00 175.22 175.28 1ugk s TYR 80 N 1.66 2.83 0.00 0.36 2.02 -1.26 -1.06 117.35 121.90 1ugk s TYR 80 Ca -0.09 -0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.53 1ugk s TYR 80 Cb -0.07 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.90 1ugk s TYR 80 CO -0.17 0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.56 1ugk n GLY 81 N 1.63 1.77 3.65 0.71 0.00 -1.26 -5.05 105.19 106.63 1ugk n GLY 81 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1ugk n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ugk s ILE 82 N -1.70 3.37 -1.28 -0.61 1.09 -1.26 -4.82 121.20 115.98 1ugk s ILE 82 Ca 0.00 0.44 0.00 0.00 -1.10 0.00 0.00 60.65 59.99 1ugk s ILE 82 Cb 0.00 -3.33 0.00 0.00 -1.06 0.00 0.00 42.46 38.07 1ugk s ILE 82 CO 0.00 -0.09 0.48 -0.81 -0.10 0.00 0.00 174.94 174.42 1ugk n PRO 83 N 7.55 0.75 0.00 2.79 -0.04 -1.26 -4.67 135.00 140.12 1ugk n PRO 83 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1ugk n PRO 83 Cb 0.43 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1ugk n PRO 83 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1ugk n TYR 84 N -0.05 0.00 0.27 0.54 9.36 -1.26 -4.22 117.16 121.80 1ugk n TYR 84 Ca 0.00 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.36 1ugk n TYR 84 Cb 0.14 0.00 0.74 0.00 -0.63 0.00 0.00 39.34 39.59 1ugk n TYR 84 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1ugk h THR 85 N 0.00 0.00 0.00 2.97 1.35 -2.01 1.21 112.91 116.43 1ugk h THR 85 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ugk h THR 85 Cb 0.00 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 1ugk h THR 85 CO 0.00 0.00 -0.32 1.67 -0.25 0.00 0.00 175.52 176.62 1ugk n GLN 86 N -2.61 0.21 0.16 4.72 -0.06 -1.26 -3.92 117.38 114.63 1ugk n GLN 86 Ca -0.02 0.11 -0.14 0.00 -2.00 0.00 0.00 57.00 54.96 1ugk n GLN 86 Cb 0.25 -1.69 -0.06 0.00 -4.06 0.00 0.00 30.24 24.68 1ugk n GLN 86 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 1ugk h ILE 87 N 0.00 0.43 -0.87 1.69 1.08 0.12 0.48 117.51 120.44 1ugk h ILE 87 Ca 0.00 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.71 1ugk h ILE 87 Cb 0.69 0.43 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 1ugk h ILE 87 CO 0.00 0.00 0.62 1.56 -0.69 0.00 0.00 178.15 179.64 1ugk h GLN 88 N -0.54 0.06 0.00 2.37 4.20 -1.70 0.87 115.11 120.37 1ugk h GLN 88 Ca 0.00 -0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1ugk h GLN 88 Cb 0.51 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1ugk h GLN 88 CO -0.09 0.04 -0.87 0.93 -0.67 0.00 0.00 178.83 178.17 1ugk h GLU 89 N 0.06 0.00 0.00 1.46 4.39 -1.24 -2.28 114.58 116.97 1ugk h GLU 89 Ca 0.42 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.09 1ugk h GLU 89 Cb 1.58 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.25 1ugk h GLU 89 CO -0.03 0.56 0.00 1.28 -1.16 0.00 0.00 179.01 179.66 1ugk n LEU 90 N -3.17 0.00 0.00 1.33 4.32 0.30 -4.25 117.00 115.54 1ugk n LEU 90 Ca -0.02 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 1ugk n LEU 90 Cb 0.82 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.55 1ugk n LEU 90 CO 0.43 -1.25 0.00 0.00 -1.22 0.00 0.00 177.39 175.34 1ugk n ALA 91 N -3.16 0.00 -2.01 -1.18 0.00 0.22 -3.96 120.51 110.42 1ugk n ALA 91 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.05 1ugk n ALA 91 Cb 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 1ugk n ALA 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ugk s LEU 92 N 0.00 4.42 -0.28 0.00 1.43 -0.97 0.15 118.68 123.44 1ugk s LEU 92 Ca 0.00 1.56 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 1ugk s LEU 92 Cb 0.00 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.74 1ugk s LEU 92 CO 0.00 0.07 0.01 -2.28 0.23 0.00 0.00 176.35 174.38 1ugk s HIS 93 N -1.42 2.49 -0.34 0.29 2.46 -0.93 -1.25 115.29 116.60 1ugk s HIS 93 Ca 0.42 -2.00 -0.18 0.00 0.47 0.00 0.00 55.06 53.76 1ugk s HIS 93 Cb -0.19 -1.90 -0.01 0.00 -0.13 0.00 0.00 32.58 30.36 1ugk s HIS 93 CO 0.23 -0.83 0.52 -0.06 -2.47 0.00 0.00 174.74 172.12 1ugk s PHE 94 N 1.35 3.19 -0.22 3.88 0.08 0.90 -3.57 117.98 123.59 1ugk s PHE 94 Ca 0.02 0.23 -0.05 0.00 0.12 0.00 0.00 56.93 57.25 1ugk s PHE 94 Cb -0.18 -2.91 -0.02 0.00 -0.57 0.00 0.00 43.02 39.33 1ugk s PHE 94 CO -0.11 -0.51 0.01 0.99 -0.10 0.00 0.00 175.22 175.49 1ugk s THR 95 N 2.40 3.92 -0.85 0.64 2.01 -1.12 0.13 115.64 122.77 1ugk s THR 95 Ca 0.19 -0.31 -0.17 0.00 0.31 0.00 0.00 61.69 61.71 1ugk s THR 95 Cb -0.15 -2.79 0.17 0.00 0.01 0.00 0.00 72.50 69.73 1ugk s THR 95 CO 0.13 0.40 0.92 -0.63 -0.69 0.00 0.00 174.62 174.75 1ugk s ILE 96 N 1.26 5.14 0.00 1.82 1.09 -0.94 -1.39 121.20 128.17 1ugk s ILE 96 Ca 0.04 -1.92 0.00 0.00 -1.10 0.00 0.00 60.65 57.67 1ugk s ILE 96 Cb -0.15 -4.61 0.00 0.00 -1.06 0.00 0.00 42.46 36.65 1ugk s ILE 96 CO 0.01 -1.25 0.00 0.18 -0.10 0.00 0.00 174.94 173.78 1ugk n LEU 97 N 5.36 0.00 -3.70 2.97 4.32 -1.03 0.12 117.00 125.05 1ugk n LEU 97 Ca 0.16 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.03 1ugk n LEU 97 Cb 0.47 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.17 1ugk n LEU 97 CO 0.43 -0.20 0.11 -0.55 -1.22 0.00 0.00 177.39 175.96 1ugk s SER 98 N -1.00 -0.54 -0.07 -1.43 0.15 -0.73 -3.23 113.70 106.85 1ugk s SER 98 Ca 0.00 0.96 0.01 0.00 0.70 0.00 0.00 55.95 57.62 1ugk s SER 98 Cb 0.00 0.88 -0.03 0.00 -1.71 0.00 0.00 66.02 65.16 1ugk s SER 98 CO 0.00 -0.19 -0.07 0.12 1.20 0.00 0.00 173.24 174.31 1ugk s PHE 99 N 1.03 2.95 -0.38 3.44 2.19 -0.77 -1.83 117.98 124.60 1ugk s PHE 99 Ca -0.06 0.03 0.05 0.00 0.33 0.00 0.00 56.93 57.28 1ugk s PHE 99 Cb -0.06 -1.71 0.30 0.00 -1.31 0.00 0.00 43.02 40.24 1ugk s PHE 99 CO -0.09 0.34 1.26 -0.25 1.83 0.00 0.00 175.22 178.31 1ugk n ASP 100 N 2.22 -1.70 0.00 6.13 8.00 -1.14 -3.69 116.55 126.37 1ugk n ASP 100 Ca -0.18 -2.59 0.00 0.00 0.71 0.00 0.00 54.79 52.73 1ugk n ASP 100 Cb 0.53 1.42 0.00 0.00 -0.02 0.00 0.00 41.12 43.05 1ugk n ASP 100 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ugk n ARG 101 N 0.23 0.00 -0.10 -1.24 1.74 -1.26 -2.35 116.66 113.68 1ugk n ARG 101 Ca -0.03 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.84 1ugk n ARG 101 Cb 0.73 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 32.06 1ugk n ARG 101 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1ugk h PHE 102 N 0.00 0.00 0.00 -1.55 -1.00 -1.99 -3.39 116.94 109.01 1ugk h PHE 102 Ca 0.00 0.00 -0.46 0.00 2.81 0.00 0.00 57.97 60.32 1ugk h PHE 102 Cb 0.00 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.58 1ugk h PHE 102 CO 0.00 1.40 2.56 0.43 -1.61 0.00 0.00 178.31 181.09 1ugk n SER 103 N -4.45 4.36 -4.66 2.17 7.64 -0.99 -4.84 113.62 112.85 1ugk n SER 103 Ca -0.30 -2.42 -0.27 0.00 1.01 0.00 0.00 58.87 56.88 1ugk n SER 103 Cb 0.65 -1.12 -0.08 0.00 -1.01 0.00 0.00 64.21 62.66 1ugk n SER 103 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ugk s ARG 104 N 3.78 2.42 0.00 1.43 1.04 -1.25 -2.88 118.95 123.48 1ugk s ARG 104 Ca 0.44 -1.08 0.00 0.00 -1.04 0.00 0.00 55.73 54.06 1ugk s ARG 104 Cb 0.11 -2.38 0.00 0.00 -2.04 0.00 0.00 34.95 30.65 1ugk s ARG 104 CO 0.00 0.46 0.00 -3.47 -0.04 0.00 0.00 175.30 172.26 1ugk n ASP 105 N -0.04 -2.62 -4.56 -2.89 2.03 -0.76 -4.92 116.55 102.80 1ugk n ASP 105 Ca -0.10 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.02 1ugk n ASP 105 Cb 0.55 -0.59 -0.06 0.00 -0.72 0.00 0.00 41.12 40.29 1ugk n ASP 105 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1ugk s ASP 106 N -2.17 4.39 0.02 1.67 1.01 -1.14 -4.71 116.67 115.74 1ugk s ASP 106 Ca 0.00 -0.37 -0.30 0.00 0.71 0.00 0.00 52.55 52.59 1ugk s ASP 106 Cb 0.00 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.29 1ugk s ASP 106 CO 0.00 -3.46 1.81 -0.63 0.21 0.00 0.00 175.17 173.10 1ugk s ILE 107 N 12.95 3.17 -0.15 0.77 1.01 -1.26 -1.78 121.20 135.92 1ugk s ILE 107 Ca 0.82 0.31 0.13 0.00 0.00 0.00 0.00 60.65 61.92 1ugk s ILE 107 Cb -0.09 -3.20 -0.24 0.00 0.01 0.00 0.00 42.46 38.94 1ugk s ILE 107 CO 0.05 -0.02 0.27 -0.38 0.00 0.00 0.00 174.94 174.86 1ugk n ILE 108 N 5.36 1.50 -3.76 2.92 5.41 0.33 -4.95 119.36 126.17 1ugk n ILE 108 Ca 0.18 -0.80 -0.03 0.00 1.00 0.00 0.00 62.75 63.10 1ugk n ILE 108 Cb 0.41 -0.83 -0.01 0.00 -0.71 0.00 0.00 39.64 38.50 1ugk n ILE 108 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1ugk s GLY 109 N -5.46 -0.21 -0.03 7.39 0.00 -1.09 -4.83 107.32 103.08 1ugk s GLY 109 Ca -0.11 0.11 0.04 0.00 0.00 0.00 0.00 44.72 44.76 1ugk s GLY 109 CO 0.80 0.20 -0.14 -0.54 0.00 0.00 0.00 173.10 173.43 1ugk s GLU 110 N -3.12 1.40 0.03 2.90 2.02 -1.26 -2.22 118.70 118.46 1ugk s GLU 110 Ca 0.13 -0.47 0.04 0.00 0.02 0.00 0.00 54.97 54.69 1ugk s GLU 110 Cb -0.01 -1.26 -0.02 0.00 0.10 0.00 0.00 34.13 32.95 1ugk s GLU 110 CO 0.02 0.19 -0.12 0.08 0.02 0.00 0.00 175.26 175.46 1ugk s VAL 111 N 0.09 0.91 -0.03 2.63 1.01 0.12 -4.59 120.40 120.53 1ugk s VAL 111 Ca -0.03 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 1ugk s VAL 111 Cb -0.10 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1ugk s VAL 111 CO 0.01 -0.03 0.11 -0.22 0.00 0.00 0.00 175.10 174.98 1ugk s LEU 112 N -1.02 1.58 -0.30 3.92 2.96 -1.26 -0.07 118.68 124.49 1ugk s LEU 112 Ca -0.00 0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1ugk s LEU 112 Cb -0.07 0.44 0.11 0.00 0.50 0.00 0.00 46.19 47.16 1ugk s LEU 112 CO 0.01 -0.11 0.15 -0.51 -1.32 0.00 0.00 176.35 174.57 1ugk s ILE 113 N -0.25 0.01 -0.14 6.68 1.10 -0.38 -4.99 121.20 123.24 1ugk s ILE 113 Ca -0.03 -0.99 -0.29 0.00 -0.51 0.00 0.00 60.65 58.83 1ugk s ILE 113 Cb -0.02 -1.04 -0.02 0.00 0.15 0.00 0.00 42.46 41.53 1ugk s ILE 113 CO 0.00 -0.78 1.26 -2.16 -2.11 0.00 0.00 174.94 171.15 1ugk s PRO 114 N 1.86 4.26 0.00 3.50 0.04 -1.26 -2.30 135.00 141.10 1ugk s PRO 114 Ca 0.11 1.68 0.21 0.00 0.04 0.00 0.00 61.00 63.04 1ugk s PRO 114 Cb -0.18 -3.73 1.11 0.00 0.04 0.00 0.00 34.50 31.75 1ugk s PRO 114 CO -0.29 -0.66 1.65 1.28 0.04 0.00 0.00 177.00 179.03 1ugk n LEU 115 N 6.32 0.00 -4.54 -3.56 4.77 -1.25 -4.61 117.00 114.12 1ugk n LEU 115 Ca 0.13 0.19 -0.32 0.00 -0.03 0.00 0.00 56.01 55.99 1ugk n LEU 115 Cb 0.45 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1ugk n LEU 115 CO 0.56 -0.06 1.91 -0.24 -1.33 0.00 0.00 177.39 178.23 1ugk n SER 116 N -1.19 1.69 0.00 -1.43 2.88 -0.86 0.51 113.62 115.23 1ugk n SER 116 Ca 0.12 -0.59 0.00 0.00 -1.33 0.00 0.00 58.87 57.06 1ugk n SER 116 Cb 0.13 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.15 1ugk n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugk n GLY 117 N 6.22 1.88 3.60 0.46 0.00 -1.26 -5.03 105.19 111.05 1ugk n GLY 117 Ca 0.45 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.04 1ugk n GLY 117 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ugk n ILE 118 N -0.03 2.05 -4.05 -0.61 2.08 0.18 -4.96 119.36 114.02 1ugk n ILE 118 Ca 0.00 -0.50 -0.33 0.00 0.56 0.00 0.00 62.75 62.48 1ugk n ILE 118 Cb 0.00 -1.06 -0.15 0.00 -0.75 0.00 0.00 39.64 37.68 1ugk n ILE 118 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1ugk s GLU 119 N -1.66 2.84 -0.00 0.38 -1.05 -1.26 -4.90 118.70 113.05 1ugk s GLU 119 Ca 0.59 -0.95 0.12 0.00 -0.15 0.00 0.00 54.97 54.58 1ugk s GLU 119 Cb -0.66 -2.77 -0.14 0.00 -0.44 0.00 0.00 34.13 30.11 1ugk s GLU 119 CO 0.60 -0.33 0.47 1.28 0.95 0.00 0.00 175.26 178.23 1ugk n LEU 120 N 4.61 0.46 -0.08 1.83 4.77 -1.26 -4.59 117.00 122.74 1ugk n LEU 120 Ca -0.18 -0.41 -0.10 0.00 -0.03 0.00 0.00 56.01 55.29 1ugk n LEU 120 Cb 0.48 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1ugk n LEU 120 CO 0.25 0.12 0.60 -1.28 -1.33 0.00 0.00 177.39 175.75 1ugk h SER 121 N 0.00 -1.26 -1.05 -1.43 0.87 -1.98 0.26 113.55 108.96 1ugk h SER 121 Ca 0.00 0.19 0.29 0.00 -1.23 0.00 0.00 61.79 61.05 1ugk h SER 121 Cb 0.34 0.55 -0.12 0.00 -0.44 0.00 0.00 62.40 62.72 1ugk h SER 121 CO 0.00 -0.37 0.63 -0.33 -0.53 0.00 0.00 176.83 176.24 1ugk h GLU 122 N -0.35 0.39 0.00 2.24 5.08 -2.02 -3.46 114.58 116.46 1ugk h GLU 122 Ca 0.13 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1ugk h GLU 122 Cb 0.58 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ugk h GLU 122 CO -0.50 0.26 0.00 0.41 -1.00 0.00 0.00 179.01 178.18 1ugk n GLY 123 N -1.37 4.30 3.33 -3.84 0.00 0.90 -5.11 105.19 103.40 1ugk n GLY 123 Ca 0.29 -1.25 -0.45 0.00 0.00 0.00 0.00 46.02 44.61 1ugk n GLY 123 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ugk n LYS 124 N -1.80 0.00 -4.11 1.61 0.00 -1.26 -4.76 118.16 107.84 1ugk n LYS 124 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.19 1ugk n LYS 124 Cb 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 35.03 33.93 1ugk n LYS 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ugk s MET 125 N -0.99 0.67 -0.02 1.64 0.23 -1.10 -5.00 119.30 114.72 1ugk s MET 125 Ca 0.61 -1.02 -0.15 0.00 -1.03 0.00 0.00 55.69 54.11 1ugk s MET 125 Cb -0.79 -0.26 -0.05 0.00 -1.53 0.00 0.00 34.83 32.20 1ugk s MET 125 CO 0.59 0.02 0.40 -1.17 -2.03 0.00 0.00 175.02 172.83 1ugk s LEU 126 N -2.23 4.45 -0.00 0.18 1.98 -1.26 -2.43 118.68 119.36 1ugk s LEU 126 Ca -0.00 0.92 -0.03 0.00 -2.89 0.00 0.00 54.13 52.13 1ugk s LEU 126 Cb -0.03 -2.58 -0.00 0.00 0.66 0.00 0.00 46.19 44.24 1ugk s LEU 126 CO -0.02 0.29 0.06 -0.04 -1.89 0.00 0.00 176.35 174.75 1ugk s MET 127 N -0.86 0.29 0.25 1.98 -1.94 0.20 -4.97 119.30 114.24 1ugk s MET 127 Ca 0.23 -0.31 0.05 0.00 -1.71 0.00 0.00 55.69 53.95 1ugk s MET 127 Cb -0.16 0.12 -0.05 0.00 2.01 0.00 0.00 34.83 36.74 1ugk s MET 127 CO 0.13 -0.06 -0.02 0.54 -0.01 0.00 0.00 175.02 175.59 1ugk s ASN 128 N -0.95 2.14 -0.07 3.03 4.22 -1.26 -0.66 114.94 121.38 1ugk s ASN 128 Ca -0.10 -1.21 -0.21 0.00 -2.14 0.00 0.00 52.86 49.20 1ugk s ASN 128 Cb -0.06 -0.05 0.05 0.00 1.28 0.00 0.00 41.25 42.47 1ugk s ASN 128 CO 0.00 -0.45 0.49 -0.13 -2.04 0.00 0.00 177.10 174.97 1ugk s ARG 129 N -3.82 0.79 0.17 3.55 1.81 -0.46 -4.98 118.95 116.02 1ugk s ARG 129 Ca 0.28 0.20 -0.16 0.00 -1.72 0.00 0.00 55.73 54.33 1ugk s ARG 129 Cb 0.05 0.37 -0.07 0.00 -0.45 0.00 0.00 34.95 34.84 1ugk s ARG 129 CO 0.10 -0.21 0.61 -1.83 -0.68 0.00 0.00 175.30 173.29 1ugk s GLU 130 N -0.87 4.08 -0.31 3.54 -1.05 -1.26 -0.86 118.70 121.97 1ugk s GLU 130 Ca -0.09 0.63 -0.08 0.00 -0.15 0.00 0.00 54.97 55.27 1ugk s GLU 130 Cb -0.03 -2.92 0.01 0.00 -0.44 0.00 0.00 34.13 30.75 1ugk s GLU 130 CO 0.05 0.45 0.13 0.42 0.95 0.00 0.00 175.26 177.26 1ugk s ILE 131 N -1.47 4.30 0.13 1.83 1.01 0.92 -4.89 121.20 123.02 1ugk s ILE 131 Ca 0.39 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.43 1ugk s ILE 131 Cb -0.16 -3.24 -0.00 0.00 0.01 0.00 0.00 42.46 39.07 1ugk s ILE 131 CO 0.20 0.02 0.01 2.30 0.00 0.00 0.00 174.94 177.47 1ugk n ILE 132 N 4.93 0.00 -1.95 2.92 -6.64 -1.26 0.19 119.36 117.55 1ugk n ILE 132 Ca -0.14 -0.63 -0.42 0.00 -1.77 0.00 0.00 62.75 59.79 1ugk n ILE 132 Cb 0.48 0.16 0.00 0.00 -1.44 0.00 0.00 39.64 38.84 1ugk n ILE 132 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 1ugk n SER 133 N -1.36 4.28 -0.93 7.28 2.88 -1.26 -3.99 113.62 120.52 1ugk n SER 133 Ca -0.04 -2.93 0.07 0.00 -1.33 0.00 0.00 58.87 54.64 1ugk n SER 133 Cb 0.17 -1.61 -0.04 0.00 -0.75 0.00 0.00 64.21 61.98 1ugk n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ugk n GLY 134 N 3.74 -3.29 3.67 0.46 0.00 -1.26 -4.78 105.19 103.73 1ugk n GLY 134 Ca 0.48 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 1ugk n GLY 134 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugk s PRO 135 N -4.21 4.26 -0.30 1.61 0.04 -1.26 -4.95 135.00 130.19 1ugk s PRO 135 Ca 0.00 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 62.56 1ugk s PRO 135 Cb 0.00 -3.71 0.18 0.00 0.04 0.00 0.00 34.50 31.01 1ugk s PRO 135 CO 0.00 -0.64 1.16 0.45 0.04 0.00 0.00 177.00 178.02 1ugk s SER 136 N 1.87 -0.23 -0.04 6.66 0.15 -1.26 -5.10 113.70 115.75 1ugk s SER 136 Ca 0.56 0.16 -0.04 0.00 0.70 0.00 0.00 55.95 57.33 1ugk s SER 136 Cb -0.23 1.20 0.01 0.00 -1.71 0.00 0.00 66.02 65.30 1ugk s SER 136 CO 0.17 -0.04 0.07 -0.24 1.20 0.00 0.00 173.24 174.40 1ugk n SER 137 N 5.38 -6.19 -0.72 5.45 2.88 -1.26 -5.11 113.62 114.05 1ugk n SER 137 Ca -0.08 1.64 0.13 0.00 -1.33 0.00 0.00 58.87 59.23 1ugk n SER 137 Cb 0.54 -4.87 0.31 0.00 -0.75 0.00 0.00 64.21 59.45 1ugk n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42