#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufx s SER 2 N 0.00 -0.37 0.16 1.61 1.04 -1.26 -5.05 113.70 109.83 1ufx s SER 2 Ca 0.00 0.10 -0.21 0.00 0.48 0.00 0.00 55.95 56.33 1ufx s SER 2 Cb 0.00 0.37 0.08 0.00 0.10 0.00 0.00 66.02 66.56 1ufx s SER 2 CO 0.00 -0.56 1.62 -1.28 0.98 0.00 0.00 173.24 174.01 1ufx h SER 3 N 2.14 -0.79 0.00 7.02 0.87 -2.11 -3.47 113.55 117.21 1ufx h SER 3 Ca -0.21 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1ufx h SER 3 Cb 1.22 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 63.58 1ufx h SER 3 CO 0.31 -0.26 0.00 0.61 -0.53 0.00 0.00 176.83 176.96 1ufx n GLY 4 N -1.39 0.74 3.23 5.77 0.00 -1.26 -5.01 105.19 107.26 1ufx n GLY 4 Ca 0.01 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 1ufx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ufx s SER 5 N -4.00 0.43 -0.17 1.61 0.01 -1.26 -5.15 113.70 105.17 1ufx s SER 5 Ca 0.00 -1.40 -0.13 0.00 1.31 0.00 0.00 55.95 55.73 1ufx s SER 5 Cb 0.00 0.34 -0.05 0.00 0.21 0.00 0.00 66.02 66.52 1ufx s SER 5 CO 0.00 -0.82 0.27 -0.94 0.41 0.00 0.00 173.24 172.16 1ufx s SER 6 N -3.20 6.38 0.00 2.44 1.04 -1.26 -5.01 113.70 114.09 1ufx s SER 6 Ca 0.39 0.44 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1ufx s SER 6 Cb 0.07 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 64.02 1ufx s SER 6 CO 0.13 0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.06 1ufx n GLY 7 N 3.49 4.60 3.18 7.32 0.00 -1.26 -4.84 105.19 117.67 1ufx n GLY 7 Ca -0.12 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 1ufx n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ufx s THR 8 N -1.47 2.70 -0.03 2.61 2.01 0.94 -4.93 115.64 117.46 1ufx s THR 8 Ca 0.00 -1.07 -0.30 0.00 0.31 0.00 0.00 61.69 60.64 1ufx s THR 8 Cb 0.00 -2.36 -0.07 0.00 0.01 0.00 0.00 72.50 70.08 1ufx s THR 8 CO 0.00 0.23 1.78 -0.22 -0.69 0.00 0.00 174.62 175.71 1ufx s LEU 9 N 1.30 4.32 -0.09 4.42 1.98 -1.26 -3.13 118.68 126.22 1ufx s LEU 9 Ca -0.00 2.35 -0.01 0.00 -2.89 0.00 0.00 54.13 53.58 1ufx s LEU 9 Cb -0.16 -3.53 -0.03 0.00 0.66 0.00 0.00 46.19 43.12 1ufx s LEU 9 CO -0.06 -1.01 -0.03 -0.69 -1.89 0.00 0.00 176.35 172.67 1ufx s VAL 10 N 4.35 4.06 -0.36 1.68 1.01 -0.62 -4.95 120.40 125.56 1ufx s VAL 10 Ca 0.79 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 62.36 1ufx s VAL 10 Cb -0.36 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.36 1ufx s VAL 10 CO 0.34 0.59 0.15 -0.60 0.00 0.00 0.00 175.10 175.58 1ufx s ARG 11 N -0.69 2.65 -0.39 2.72 3.52 -1.26 -0.15 118.95 125.34 1ufx s ARG 11 Ca 0.11 -1.21 -0.11 0.00 -0.13 0.00 0.00 55.73 54.39 1ufx s ARG 11 Cb -0.12 -3.57 0.05 0.00 -1.56 0.00 0.00 34.95 29.75 1ufx s ARG 11 CO 0.02 -0.73 0.23 0.08 -0.81 0.00 0.00 175.30 174.09 1ufx s VAL 12 N 1.43 4.49 0.40 7.11 1.01 -1.08 -4.94 120.40 128.82 1ufx s VAL 12 Ca 0.00 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.70 1ufx s VAL 12 Cb -0.20 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 1ufx s VAL 12 CO 0.03 -0.33 1.10 -0.75 0.00 0.00 0.00 175.10 175.16 1ufx s LYS 13 N 1.52 4.11 -0.62 2.72 2.36 -1.26 -0.72 119.74 127.84 1ufx s LYS 13 Ca 0.02 1.67 -0.06 0.00 -2.55 0.00 0.00 55.97 55.04 1ufx s LYS 13 Cb -0.21 -2.61 -0.15 0.00 -1.05 0.00 0.00 37.83 33.81 1ufx s LYS 13 CO 0.05 -0.23 2.86 1.63 1.55 0.00 0.00 175.35 181.22 1ufx n LYS 14 N 0.01 2.30 -0.30 4.03 5.02 -0.60 -4.54 118.16 124.07 1ufx n LYS 14 Ca 0.05 -1.32 -0.04 0.00 -2.02 0.00 0.00 58.31 54.98 1ufx n LYS 14 Cb 0.48 -2.26 0.08 0.00 -0.02 0.00 0.00 35.03 33.31 1ufx n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ufx h SER 15 N 4.47 0.94 -4.03 4.39 0.87 -1.90 -3.43 113.55 114.85 1ufx h SER 15 Ca 0.42 -0.02 -0.45 0.00 -1.23 0.00 0.00 61.79 60.51 1ufx h SER 15 Cb 0.77 -0.23 0.16 0.00 -0.44 0.00 0.00 62.40 62.66 1ufx h SER 15 CO 0.92 0.68 0.42 0.00 -0.53 0.00 0.00 176.83 178.32 1ufx s ALA 16 N -6.13 2.27 -0.03 6.23 0.00 -1.26 -5.01 121.76 117.82 1ufx s ALA 16 Ca -0.13 -1.18 0.12 0.00 0.00 0.00 0.00 51.96 50.77 1ufx s ALA 16 Cb 0.16 -2.78 -0.21 0.00 0.00 0.00 0.00 23.12 20.29 1ufx s ALA 16 CO 0.79 -2.40 0.79 0.00 0.00 0.00 0.00 175.76 174.94 1ufx h ALA 17 N -1.61 0.70 -2.73 0.00 0.00 -1.87 -3.47 119.26 110.28 1ufx h ALA 17 Ca -0.44 -1.29 -0.15 0.00 0.00 0.00 0.00 54.91 53.03 1ufx h ALA 17 Cb 1.24 0.36 -0.19 0.00 0.00 0.00 0.00 17.79 19.20 1ufx h ALA 17 CO 0.39 1.43 -0.67 0.95 0.00 0.00 0.00 179.25 181.35 1ufx s THR 18 N -2.67 0.14 0.16 0.00 -4.23 -1.26 -5.13 115.64 102.66 1ufx s THR 18 Ca -0.03 -1.18 -0.24 0.00 -1.18 0.00 0.00 61.69 59.06 1ufx s THR 18 Cb 0.08 -0.68 -0.08 0.00 1.34 0.00 0.00 72.50 73.16 1ufx s THR 18 CO 0.82 -0.65 0.75 -0.22 -0.54 0.00 0.00 174.62 174.78 1ufx s LEU 19 N -1.93 4.55 -0.37 4.79 2.96 -1.26 -3.94 118.68 123.48 1ufx s LEU 19 Ca -0.08 1.58 0.01 0.00 -0.22 0.00 0.00 54.13 55.41 1ufx s LEU 19 Cb -0.04 -3.29 0.14 0.00 0.50 0.00 0.00 46.19 43.50 1ufx s LEU 19 CO -0.04 0.19 0.23 -0.83 -1.32 0.00 0.00 176.35 174.59 1ufx s GLY 20 N -1.21 1.03 0.02 7.98 0.00 -1.26 -4.97 107.32 108.91 1ufx s GLY 20 Ca 0.36 -2.06 0.00 0.00 0.00 0.00 0.00 44.72 43.02 1ufx s GLY 20 CO 0.25 2.00 -0.03 -0.26 0.00 0.00 0.00 173.10 175.06 1ufx s ILE 21 N 0.83 0.13 0.02 0.90 -4.36 -1.26 -2.02 121.20 115.43 1ufx s ILE 21 Ca 0.20 -0.86 0.07 0.00 -0.26 0.00 0.00 60.65 59.79 1ufx s ILE 21 Cb -0.20 -0.26 -0.02 0.00 1.25 0.00 0.00 42.46 43.23 1ufx s ILE 21 CO -0.02 -0.46 -0.20 0.00 0.24 0.00 0.00 174.94 174.50 1ufx s ALA 22 N -1.36 1.69 0.29 2.27 0.00 0.97 -4.94 121.76 120.68 1ufx s ALA 22 Ca -0.15 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 50.90 1ufx s ALA 22 Cb -0.09 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 1ufx s ALA 22 CO -0.01 0.39 0.24 0.96 0.00 0.00 0.00 175.76 177.35 1ufx s ILE 23 N -0.65 0.00 -0.01 0.00 -4.36 -1.26 -1.65 121.20 113.26 1ufx s ILE 23 Ca 0.07 -1.98 -0.27 0.00 -0.26 0.00 0.00 60.65 58.21 1ufx s ILE 23 Cb -0.08 -2.50 0.06 0.00 1.25 0.00 0.00 42.46 41.19 1ufx s ILE 23 CO 0.01 0.00 0.61 -1.83 0.24 0.00 0.00 174.94 173.97 1ufx s GLU 24 N -3.65 1.04 0.00 0.37 -1.05 -0.83 -4.82 118.70 109.77 1ufx s GLU 24 Ca 0.40 0.08 0.00 0.00 -0.15 0.00 0.00 54.97 55.30 1ufx s GLU 24 Cb 0.04 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.21 1ufx s GLU 24 CO 0.23 -0.34 0.00 0.41 0.95 0.00 0.00 175.26 176.51 1ufx n GLY 25 N 0.77 0.17 0.00 -3.83 0.00 -1.26 -2.17 105.19 98.86 1ufx n GLY 25 Ca -0.19 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1ufx n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufx n GLY 26 N 0.00 3.72 0.38 -0.02 0.00 0.12 -3.28 105.19 106.12 1ufx n GLY 26 Ca 0.00 -1.68 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 1ufx n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufx n ALA 27 N -1.31 -0.50 -0.24 4.61 0.00 -1.03 0.36 120.51 122.41 1ufx n ALA 27 Ca 0.00 0.81 0.03 0.00 0.00 0.00 0.00 53.44 54.28 1ufx n ALA 27 Cb 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 19.45 19.39 1ufx n ALA 27 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1ufx h ASN 28 N 0.00 -0.41 -4.09 0.00 -0.73 -1.90 -3.41 115.58 105.04 1ufx h ASN 28 Ca 0.18 0.19 -0.47 0.00 1.87 0.00 0.00 56.30 58.08 1ufx h ASN 28 Cb 0.41 0.35 0.02 0.00 0.27 0.00 0.00 38.32 39.38 1ufx h ASN 28 CO -0.88 -0.18 0.37 0.42 -0.37 0.00 0.00 177.43 176.79 1ufx s THR 29 N -6.15 3.95 0.26 -3.57 -4.23 0.16 -4.91 115.64 101.16 1ufx s THR 29 Ca -0.14 1.17 0.07 0.00 -1.18 0.00 0.00 61.69 61.61 1ufx s THR 29 Cb 0.21 -3.49 0.32 0.00 1.34 0.00 0.00 72.50 70.88 1ufx s THR 29 CO 0.75 -0.31 1.25 -1.14 -0.54 0.00 0.00 174.62 174.62 1ufx n ARG 30 N -1.05 -0.06 -2.51 3.99 3.00 -1.26 -3.93 116.66 114.84 1ufx n ARG 30 Ca 0.09 1.16 -0.43 0.00 -0.00 0.00 0.00 57.85 58.66 1ufx n ARG 30 Cb 0.53 -1.92 -0.02 0.00 0.00 0.00 0.00 32.46 31.05 1ufx n ARG 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1ufx s GLN 31 N -5.55 4.03 0.03 -0.14 2.00 -1.26 -4.93 119.66 113.84 1ufx s GLN 31 Ca -0.09 1.25 -0.21 0.00 -2.00 0.00 0.00 55.36 54.31 1ufx s GLN 31 Cb 0.25 -3.80 -0.15 0.00 0.80 0.00 0.00 33.01 30.10 1ufx s GLN 31 CO 0.62 -0.96 1.34 -1.00 -0.50 0.00 0.00 175.29 174.79 1ufx h PRO 32 N 8.63 0.31 -6.08 1.67 0.13 -1.73 0.37 132.00 135.30 1ufx h PRO 32 Ca -0.24 -0.16 -0.54 0.00 -0.87 0.00 0.00 66.00 64.19 1ufx h PRO 32 Cb 1.08 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 1ufx h PRO 32 CO 1.02 0.70 -0.48 -0.51 -0.23 0.00 0.00 178.00 178.50 1ufx s LEU 33 N -9.12 4.24 0.28 1.56 2.01 -1.26 -3.07 118.68 113.32 1ufx s LEU 33 Ca -0.14 0.11 -0.29 0.00 0.01 0.00 0.00 54.13 53.81 1ufx s LEU 33 Cb 0.05 -2.82 -0.10 0.00 0.01 0.00 0.00 46.19 43.33 1ufx s LEU 33 CO 0.74 0.05 1.25 -2.16 1.01 0.00 0.00 176.35 177.24 1ufx s PRO 34 N -3.26 4.45 -0.14 1.29 0.04 -1.25 -4.40 135.00 131.73 1ufx s PRO 34 Ca 0.34 2.06 0.01 0.00 0.04 0.00 0.00 61.00 63.45 1ufx s PRO 34 Cb -0.11 -3.14 -0.00 0.00 0.04 0.00 0.00 34.50 31.30 1ufx s PRO 34 CO 0.28 -0.09 -0.18 0.50 0.04 0.00 0.00 177.00 177.55 1ufx s ARG 35 N -1.27 3.17 -0.15 4.56 3.52 -0.92 -1.13 118.95 126.73 1ufx s ARG 35 Ca 0.50 -0.78 -0.29 0.00 -0.13 0.00 0.00 55.73 55.02 1ufx s ARG 35 Cb -0.37 -2.55 -0.05 0.00 -1.56 0.00 0.00 34.95 30.43 1ufx s ARG 35 CO 0.46 0.05 1.87 0.42 -0.81 0.00 0.00 175.30 177.28 1ufx s ILE 36 N 0.71 3.34 -0.18 4.11 1.01 0.22 -1.96 121.20 128.45 1ufx s ILE 36 Ca -0.08 0.38 0.16 0.00 0.00 0.00 0.00 60.65 61.12 1ufx s ILE 36 Cb -0.16 -3.34 -0.23 0.00 0.01 0.00 0.00 42.46 38.74 1ufx s ILE 36 CO 0.01 -0.14 0.06 1.33 0.00 0.00 0.00 174.94 176.21 1ufx n VAL 37 N 6.52 1.28 -3.76 2.92 0.24 -0.66 0.67 118.33 125.54 1ufx n VAL 37 Ca 0.22 -0.79 -0.13 0.00 -2.04 0.00 0.00 64.34 61.60 1ufx n VAL 37 Cb 0.44 -0.51 -0.11 0.00 -1.47 0.00 0.00 33.84 32.19 1ufx n VAL 37 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ufx s THR 38 N -2.45 -0.01 -0.39 3.34 2.01 -1.21 -4.73 115.64 112.21 1ufx s THR 38 Ca -0.09 0.02 0.04 0.00 0.31 0.00 0.00 61.69 61.97 1ufx s THR 38 Cb 0.06 -0.43 0.11 0.00 0.01 0.00 0.00 72.50 72.24 1ufx s THR 38 CO 0.76 0.01 0.12 -0.63 -0.69 0.00 0.00 174.62 174.19 1ufx s ILE 39 N 0.38 2.21 0.31 1.82 1.01 -1.26 -0.02 121.20 125.65 1ufx s ILE 39 Ca -0.02 -2.54 -0.28 0.00 0.00 0.00 0.00 60.65 57.80 1ufx s ILE 39 Cb -0.04 -2.61 -0.13 0.00 0.01 0.00 0.00 42.46 39.70 1ufx s ILE 39 CO -0.02 -0.67 1.18 0.00 0.00 0.00 0.00 174.94 175.43 1ufx n GLN 40 N 3.96 1.78 -1.76 2.79 3.00 -0.86 -4.81 117.38 121.48 1ufx n GLN 40 Ca 0.04 0.62 -0.29 0.00 -0.01 0.00 0.00 57.00 57.36 1ufx n GLN 40 Cb 0.39 -2.12 0.09 0.00 0.00 0.00 0.00 30.24 28.60 1ufx n GLN 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1ufx s ARG 41 N -1.62 2.05 0.00 -1.09 0.52 -1.26 -3.93 118.95 113.62 1ufx s ARG 41 Ca 0.58 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 56.12 1ufx s ARG 41 Cb -0.63 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 32.89 1ufx s ARG 41 CO 0.60 -1.58 0.00 0.41 0.02 0.00 0.00 175.30 174.75 1ufx n GLY 42 N -2.81 1.49 0.65 -3.53 0.00 -1.26 -4.96 105.19 94.78 1ufx n GLY 42 Ca 0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 1ufx n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufx n GLY 43 N 0.00 -3.24 0.17 -0.02 0.00 -1.25 -4.66 105.19 96.19 1ufx n GLY 43 Ca 0.00 -1.33 -0.21 0.00 0.00 0.00 0.00 46.02 44.47 1ufx n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ufx h SER 44 N -1.91 0.85 0.09 1.61 4.64 -1.88 -3.11 113.55 113.85 1ufx h SER 44 Ca -0.08 -0.77 0.02 0.00 -0.47 0.00 0.00 61.79 60.48 1ufx h SER 44 Cb 0.25 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 1ufx h SER 44 CO 0.05 1.58 -0.51 0.00 -0.87 0.00 0.00 176.83 177.08 1ufx h ALA 45 N 0.33 -0.94 -0.53 5.18 0.00 -1.88 -2.18 119.26 119.25 1ufx h ALA 45 Ca -0.18 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1ufx h ALA 45 Cb 1.89 0.87 -0.05 0.00 0.00 0.00 0.00 17.79 20.50 1ufx h ALA 45 CO 0.23 -1.10 0.23 1.25 0.00 0.00 0.00 179.25 179.86 1ufx h HIS 46 N -0.72 0.42 -0.76 0.00 6.17 -1.74 -2.47 115.15 116.05 1ufx h HIS 46 Ca 0.00 0.02 0.14 0.00 0.71 0.00 0.00 60.37 61.25 1ufx h HIS 46 Cb 0.74 -0.11 -0.14 0.00 2.52 0.00 0.00 27.41 30.42 1ufx h HIS 46 CO -0.45 0.17 -0.24 -0.97 0.71 0.00 0.00 177.93 177.15 1ufx h ASN 47 N 0.45 -0.89 -1.35 3.26 -0.73 -1.33 -3.15 115.58 111.84 1ufx h ASN 47 Ca 0.25 0.24 -0.66 0.00 1.87 0.00 0.00 56.30 58.00 1ufx h ASN 47 Cb 0.22 0.53 -0.11 0.00 0.27 0.00 0.00 38.32 39.22 1ufx h ASN 47 CO -0.21 -0.27 1.62 0.00 -0.37 0.00 0.00 177.43 178.20 1ufx h GLY 49 N 11.99 0.00 -0.91 0.00 0.00 -1.75 -1.91 103.07 110.49 1ufx h GLY 49 Ca 0.29 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.78 1ufx h GLY 49 CO 1.37 0.00 -0.35 1.46 0.00 0.00 0.00 176.54 179.01 1ufx h GLN 50 N 0.00 -0.02 -7.45 4.80 4.20 -1.89 -3.40 115.11 111.36 1ufx h GLN 50 Ca 0.24 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.48 1ufx h GLN 50 Cb 1.91 0.00 0.12 0.00 0.30 0.00 0.00 27.48 29.82 1ufx h GLN 50 CO -0.00 -0.01 0.33 -0.51 -0.67 0.00 0.00 178.83 177.96 1ufx s LEU 51 N -10.97 2.39 0.10 1.46 1.43 -0.72 -5.09 118.68 107.28 1ufx s LEU 51 Ca -0.14 1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 53.97 1ufx s LEU 51 Cb 0.21 -3.67 0.02 0.00 0.03 0.00 0.00 46.19 42.79 1ufx s LEU 51 CO 0.72 -2.15 0.34 -0.54 0.23 0.00 0.00 176.35 174.95 1ufx s LYS 52 N -5.22 0.96 -0.18 1.70 1.02 -1.26 -5.03 119.74 111.72 1ufx s LYS 52 Ca 0.62 -0.70 -0.29 0.00 0.02 0.00 0.00 55.97 55.62 1ufx s LYS 52 Cb -0.14 0.42 -0.03 0.00 -0.52 0.00 0.00 37.83 37.55 1ufx s LYS 52 CO 0.54 -0.35 1.59 0.08 -0.92 0.00 0.00 175.35 176.29 1ufx s VAL 53 N -3.48 3.73 0.00 3.17 1.01 -1.26 -3.03 120.40 120.53 1ufx s VAL 53 Ca 0.01 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1ufx s VAL 53 Cb 0.02 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1ufx s VAL 53 CO -0.09 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.38 1ufx n GLY 54 N 4.47 0.77 3.81 4.51 0.00 0.21 -4.97 105.19 113.99 1ufx n GLY 54 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1ufx n GLY 54 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ufx s HIS 55 N -1.60 1.40 -0.23 1.61 3.76 -1.17 -4.66 115.29 114.40 1ufx s HIS 55 Ca 0.00 0.44 -0.03 0.00 -0.15 0.00 0.00 55.06 55.32 1ufx s HIS 55 Cb 0.00 -3.82 0.08 0.00 1.11 0.00 0.00 32.58 29.95 1ufx s HIS 55 CO 0.00 -2.97 0.08 0.08 -0.85 0.00 0.00 174.74 171.08 1ufx s VAL 56 N -3.54 0.35 -0.38 -0.90 1.01 -1.26 0.72 120.40 116.39 1ufx s VAL 56 Ca 0.72 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 1ufx s VAL 56 Cb -0.07 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1ufx s VAL 56 CO 0.54 -0.42 1.46 -0.63 0.00 0.00 0.00 175.10 176.05 1ufx s ILE 57 N 1.92 3.86 -0.13 2.22 1.01 -0.29 -3.67 121.20 126.13 1ufx s ILE 57 Ca 0.04 0.89 0.19 0.00 0.00 0.00 0.00 60.65 61.77 1ufx s ILE 57 Cb -0.17 -4.11 -0.25 0.00 0.01 0.00 0.00 42.46 37.95 1ufx s ILE 57 CO -0.17 -0.67 0.39 0.18 0.00 0.00 0.00 174.94 174.67 1ufx n LEU 58 N 8.87 0.23 -3.80 2.97 4.77 0.63 -3.77 117.00 126.91 1ufx n LEU 58 Ca 0.17 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 1ufx n LEU 58 Cb 0.48 0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 1ufx n LEU 58 CO 0.69 0.26 -0.08 -0.70 -1.33 0.00 0.00 177.39 176.24 1ufx s GLU 59 N -2.90 0.42 -0.08 3.23 2.12 -1.24 0.11 118.70 120.37 1ufx s GLU 59 Ca -0.08 0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.30 1ufx s GLU 59 Cb 0.09 0.19 0.04 0.00 0.26 0.00 0.00 34.13 34.71 1ufx s GLU 59 CO 0.85 -0.09 0.07 0.08 -0.54 0.00 0.00 175.26 175.63 1ufx s VAL 60 N -0.52 -0.09 -1.69 3.70 1.01 0.64 -1.44 120.40 122.00 1ufx s VAL 60 Ca -0.06 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1ufx s VAL 60 Cb -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1ufx s VAL 60 CO 0.02 0.04 0.18 -3.20 0.00 0.00 0.00 175.10 172.14 1ufx n ASN 61 N 5.29 -5.92 0.00 3.32 2.85 -1.03 -1.62 115.26 118.15 1ufx n ASN 61 Ca -0.04 -0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 1ufx n ASN 61 Cb 0.50 -4.88 0.00 0.00 1.24 0.00 0.00 39.78 36.64 1ufx n ASN 61 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ufx n GLY 62 N -1.17 2.83 3.64 8.20 0.00 -1.26 -5.01 105.19 112.43 1ufx n GLY 62 Ca -0.21 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1ufx n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ufx s LEU 63 N 0.00 3.99 0.10 0.99 1.02 -0.64 -5.00 118.68 119.14 1ufx s LEU 63 Ca 0.00 1.31 -0.30 0.00 0.02 0.00 0.00 54.13 55.15 1ufx s LEU 63 Cb 0.00 -3.54 -0.06 0.00 0.02 0.00 0.00 46.19 42.61 1ufx s LEU 63 CO 0.00 -0.91 1.09 0.28 0.02 0.00 0.00 176.35 176.83 1ufx s THR 64 N 3.86 4.18 -1.49 5.49 -1.32 -1.26 -0.26 115.64 124.83 1ufx s THR 64 Ca 0.52 1.71 0.04 0.00 -1.21 0.00 0.00 61.69 62.75 1ufx s THR 64 Cb -0.17 -4.09 0.16 0.00 -1.51 0.00 0.00 72.50 66.89 1ufx s THR 64 CO 0.17 0.21 0.97 0.18 -2.21 0.00 0.00 174.62 173.95 1ufx n LEU 65 N 3.18 1.39 -4.74 9.08 4.77 0.12 -4.91 117.00 125.89 1ufx n LEU 65 Ca 0.05 -0.70 -0.42 0.00 -0.03 0.00 0.00 56.01 54.92 1ufx n LEU 65 Cb 0.47 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1ufx n LEU 65 CO 0.54 0.27 1.26 -0.13 -1.33 0.00 0.00 177.39 177.99 1ufx s ARG 66 N -1.61 4.13 -1.95 3.23 0.52 -1.25 -1.69 118.95 120.33 1ufx s ARG 66 Ca 0.11 2.56 0.00 0.00 -0.52 0.00 0.00 55.73 57.88 1ufx s ARG 66 Cb 0.07 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.50 1ufx s ARG 66 CO 0.06 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.15 1ufx n GLY 67 N 2.52 0.98 3.54 -3.53 0.00 -1.26 -4.97 105.19 102.46 1ufx n GLY 67 Ca 0.10 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1ufx n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ufx s LYS 68 N -4.20 2.56 0.27 1.61 -0.14 -0.68 -4.71 119.74 114.46 1ufx s LYS 68 Ca 0.00 -0.67 -0.29 0.00 -1.36 0.00 0.00 55.97 53.65 1ufx s LYS 68 Cb 0.00 -2.47 -0.09 0.00 -1.68 0.00 0.00 37.83 33.59 1ufx s LYS 68 CO 0.00 0.63 0.98 -1.21 -0.76 0.00 0.00 175.35 174.98 1ufx s GLU 69 N -0.99 4.72 0.22 1.68 2.02 -1.26 -2.46 118.70 122.64 1ufx s GLU 69 Ca 0.13 1.52 0.01 0.00 0.02 0.00 0.00 54.97 56.66 1ufx s GLU 69 Cb -0.11 -3.13 0.55 0.00 0.10 0.00 0.00 34.13 31.54 1ufx s GLU 69 CO 0.03 0.38 1.13 1.58 0.02 0.00 0.00 175.26 178.40 1ufx n HIS 70 N 1.16 0.46 0.28 1.61 -0.00 -1.21 0.89 115.22 118.42 1ufx n HIS 70 Ca -0.01 0.87 -0.16 0.00 -0.00 0.00 0.00 57.72 58.42 1ufx n HIS 70 Cb 0.47 -1.04 -0.08 0.00 -0.00 0.00 0.00 29.99 29.34 1ufx n HIS 70 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1ufx h ARG 71 N 0.00 -0.69 -1.01 1.57 2.43 -1.91 -0.68 114.38 114.09 1ufx h ARG 71 Ca 0.44 0.05 0.23 0.00 -0.81 0.00 0.00 59.98 59.88 1ufx h ARG 71 Cb 0.90 0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 30.50 1ufx h ARG 71 CO -0.68 -0.46 0.62 1.49 -1.51 0.00 0.00 179.97 179.43 1ufx h GLU 72 N -0.72 0.56 -0.03 0.20 4.57 0.15 -0.89 114.58 118.42 1ufx h GLU 72 Ca -0.06 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1ufx h GLU 72 Cb 0.58 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1ufx h GLU 72 CO 0.07 0.37 -0.02 0.00 -1.18 0.00 0.00 179.01 178.26 1ufx h ALA 73 N 1.66 0.04 -1.23 2.92 0.00 -0.82 -2.65 119.26 119.19 1ufx h ALA 73 Ca 0.59 -0.23 0.36 0.00 0.00 0.00 0.00 54.91 55.63 1ufx h ALA 73 Cb 1.19 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1ufx h ALA 73 CO -0.37 -0.22 0.83 0.00 0.00 0.00 0.00 179.25 179.49 1ufx h ALA 74 N 0.59 2.76 0.09 0.00 0.00 0.31 0.27 119.26 123.28 1ufx h ALA 74 Ca 0.01 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 1ufx h ALA 74 Cb 0.45 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ufx h ALA 74 CO 0.00 -1.21 -0.82 -0.09 0.00 0.00 0.00 179.25 177.13 1ufx h ARG 75 N 0.17 0.40 -0.38 0.00 2.43 -1.36 -2.98 114.38 112.66 1ufx h ARG 75 Ca 0.67 -0.55 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1ufx h ARG 75 Cb 2.18 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 31.88 1ufx h ARG 75 CO -0.21 1.22 0.17 0.82 -1.51 0.00 0.00 179.97 180.46 1ufx h ILE 76 N -0.15 0.96 0.26 1.20 2.04 -0.18 -0.93 117.51 120.71 1ufx h ILE 76 Ca -0.13 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1ufx h ILE 76 Cb 1.57 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1ufx h ILE 76 CO 0.16 0.07 -0.12 0.40 0.00 0.00 0.00 178.15 178.65 1ufx h ILE 77 N 0.36 0.75 -0.87 -0.67 2.04 -1.19 -2.67 117.51 115.27 1ufx h ILE 77 Ca 0.16 -0.03 0.12 0.00 1.00 0.00 0.00 64.86 66.11 1ufx h ILE 77 Cb 0.09 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 36.86 1ufx h ILE 77 CO -0.13 0.01 0.49 0.00 0.00 0.00 0.00 178.15 178.52 1ufx h ALA 78 N 0.38 1.29 -0.03 1.87 0.00 -1.34 0.11 119.26 121.53 1ufx h ALA 78 Ca -0.04 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ufx h ALA 78 Cb 0.28 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ufx h ALA 78 CO 0.06 0.04 0.02 0.93 0.00 0.00 0.00 179.25 180.31 1ufx h GLU 79 N 0.76 0.00 0.00 0.00 4.39 -0.89 0.44 114.58 119.29 1ufx h GLU 79 Ca 0.45 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.14 1ufx h GLU 79 Cb 0.51 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1ufx h GLU 79 CO -0.30 0.00 -0.05 0.00 -1.16 0.00 0.00 179.01 177.50 1ufx h ALA 80 N 1.98 1.00 0.15 3.43 0.00 -0.46 -2.83 119.26 122.54 1ufx h ALA 80 Ca 0.02 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 1ufx h ALA 80 Cb 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ufx h ALA 80 CO -0.00 0.06 -1.75 0.35 0.00 0.00 0.00 179.25 177.91 1ufx h PHE 81 N 0.00 0.59 0.63 0.00 3.57 -0.79 -3.40 116.94 117.54 1ufx h PHE 81 Ca -0.00 -0.43 -0.03 0.00 3.53 0.00 0.00 57.97 61.04 1ufx h PHE 81 Cb 0.66 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.38 1ufx h PHE 81 CO 0.00 1.69 -0.30 0.87 -2.23 0.00 0.00 178.31 178.33 1ufx h LYS 82 N -0.00 -0.82 -4.99 1.11 1.57 -1.37 -3.45 116.57 108.63 1ufx h LYS 82 Ca -0.36 0.06 -0.50 0.00 -1.87 0.00 0.00 60.65 57.97 1ufx h LYS 82 Cb 2.00 0.19 0.14 0.00 0.08 0.00 0.00 32.23 34.64 1ufx h LYS 82 CO 0.12 -0.54 -0.90 -2.37 -0.57 0.00 0.00 179.45 175.18 1ufx n THR 83 N -4.43 0.16 -1.35 -0.16 5.66 -1.07 -4.86 114.28 108.23 1ufx n THR 83 Ca -0.11 -0.42 -0.13 0.00 -3.05 0.00 0.00 64.05 60.35 1ufx n THR 83 Cb 0.33 0.00 0.19 0.00 -1.55 0.00 0.00 70.33 69.31 1ufx n THR 83 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1ufx n LYS 84 N 1.21 2.05 -0.05 1.09 4.01 -1.26 -4.60 118.16 120.61 1ufx n LYS 84 Ca 0.07 -3.11 -0.14 0.00 -0.51 0.00 0.00 58.31 54.62 1ufx n LYS 84 Cb 0.37 -1.98 -0.12 0.00 -0.51 0.00 0.00 35.03 32.79 1ufx n LYS 84 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1ufx h ASP 85 N 1.04 0.02 -4.33 4.39 3.32 -1.93 -3.47 116.42 115.46 1ufx h ASP 85 Ca 0.40 -0.87 -0.30 0.00 0.02 0.00 0.00 57.03 56.28 1ufx h ASP 85 Cb 2.20 -0.01 -0.25 0.00 0.22 0.00 0.00 39.33 41.49 1ufx h ASP 85 CO 0.71 0.89 -0.75 0.00 -1.72 0.00 0.00 179.24 178.37 1ufx s ARG 86 N -2.74 0.49 -0.11 3.56 1.70 -1.26 -5.03 118.95 115.57 1ufx s ARG 86 Ca -0.18 -0.48 -0.00 0.00 -0.47 0.00 0.00 55.73 54.60 1ufx s ARG 86 Cb -0.02 -0.37 0.07 0.00 -0.57 0.00 0.00 34.95 34.06 1ufx s ARG 86 CO 0.69 0.09 1.97 -3.47 -1.08 0.00 0.00 175.30 173.50 1ufx n ASP 87 N 2.21 5.62 -3.57 -2.89 -0.08 -1.26 -4.82 116.55 111.76 1ufx n ASP 87 Ca -0.18 -2.62 -0.02 0.00 -1.51 0.00 0.00 54.79 50.46 1ufx n ASP 87 Cb 0.56 -1.08 0.00 0.00 2.34 0.00 0.00 41.12 42.94 1ufx n ASP 87 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1ufx s TYR 88 N -0.62 -0.02 -0.08 -0.67 -0.85 -1.26 -1.55 117.35 112.29 1ufx s TYR 88 Ca 0.11 -0.28 -0.01 0.00 -0.52 0.00 0.00 57.07 56.36 1ufx s TYR 88 Cb 0.08 0.65 0.03 0.00 0.38 0.00 0.00 41.96 43.10 1ufx s TYR 88 CO -0.00 -0.75 0.00 0.42 -1.52 0.00 0.00 175.55 173.70 1ufx s ILE 89 N -2.60 0.40 -0.25 -3.49 1.01 0.10 -4.88 121.20 111.49 1ufx s ILE 89 Ca 0.18 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.60 1ufx s ILE 89 Cb -0.01 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.86 1ufx s ILE 89 CO 0.02 0.23 1.57 -1.81 0.00 0.00 0.00 174.94 174.95 1ufx s ASP 90 N 1.96 6.40 -0.38 3.58 1.01 -1.26 -2.65 116.67 125.32 1ufx s ASP 90 Ca 0.05 1.49 -0.05 0.00 0.71 0.00 0.00 52.55 54.75 1ufx s ASP 90 Cb -0.13 -2.53 0.08 0.00 1.01 0.00 0.00 42.92 41.35 1ufx s ASP 90 CO -0.06 -1.26 0.17 -0.36 0.21 0.00 0.00 175.17 173.87 1ufx s PHE 91 N 5.18 3.43 -0.42 4.23 0.08 0.79 -2.47 117.98 128.80 1ufx s PHE 91 Ca 0.69 -1.99 -0.26 0.00 0.12 0.00 0.00 56.93 55.49 1ufx s PHE 91 Cb -0.23 -2.85 0.02 0.00 -0.57 0.00 0.00 43.02 39.40 1ufx s PHE 91 CO 0.29 -0.89 0.95 -1.17 -0.10 0.00 0.00 175.22 174.30 1ufx s LEU 92 N 1.26 3.96 0.32 -0.37 2.96 -0.52 -1.59 118.68 124.70 1ufx s LEU 92 Ca 0.03 0.39 0.10 0.00 -0.22 0.00 0.00 54.13 54.42 1ufx s LEU 92 Cb -0.22 -3.27 -0.06 0.00 0.50 0.00 0.00 46.19 43.14 1ufx s LEU 92 CO -0.01 -0.98 -0.11 0.68 -1.32 0.00 0.00 176.35 174.61 1ufx s VAL 93 N 3.70 2.20 0.00 1.68 -7.23 -1.18 -0.27 120.40 119.29 1ufx s VAL 93 Ca 0.39 -2.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 1ufx s VAL 93 Cb -0.11 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1ufx s VAL 93 CO 0.23 -0.26 0.00 1.07 -0.31 0.00 0.00 175.10 175.83 1ufx n THR 94 N -0.72 0.00 -4.10 5.32 5.66 -1.24 -0.04 114.28 119.15 1ufx n THR 94 Ca -0.05 -0.17 -0.31 0.00 -3.05 0.00 0.00 64.05 60.47 1ufx n THR 94 Cb 0.63 0.66 -0.04 0.00 -1.55 0.00 0.00 70.33 70.03 1ufx n THR 94 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1ufx n GLU 95 N -0.92 -1.72 -1.24 1.09 0.00 -1.26 -4.74 120.64 111.85 1ufx n GLU 95 Ca 0.00 0.23 -0.43 0.00 0.00 0.00 0.00 57.16 56.96 1ufx n GLU 95 Cb 0.00 -3.82 -0.03 0.00 0.00 0.00 0.00 31.44 27.60 1ufx n GLU 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1ufx n PHE 96 N -4.56 -0.39 0.01 4.31 3.72 -1.26 -4.83 117.46 114.46 1ufx n PHE 96 Ca -0.27 0.86 -0.10 0.00 -0.05 0.00 0.00 57.45 57.89 1ufx n PHE 96 Cb 0.67 -1.74 -0.03 0.00 -0.94 0.00 0.00 39.48 37.44 1ufx n PHE 96 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1ufx h ASN 97 N 0.95 -0.49 -2.98 4.37 -0.26 -2.01 -3.41 115.58 111.77 1ufx h ASN 97 Ca -0.26 0.09 -0.62 0.00 -0.56 0.00 0.00 56.30 54.95 1ufx h ASN 97 Cb 1.27 0.22 -0.07 0.00 -1.06 0.00 0.00 38.32 38.69 1ufx h ASN 97 CO 0.51 -0.21 -0.30 -0.55 -1.06 0.00 0.00 177.43 175.82 1ufx s SER 98 N -5.04 6.62 -0.46 5.81 0.15 -1.26 -5.04 113.70 114.48 1ufx s SER 98 Ca -0.14 0.74 0.05 0.00 0.70 0.00 0.00 55.95 57.30 1ufx s SER 98 Cb 0.10 -2.19 0.19 0.00 -1.71 0.00 0.00 66.02 62.41 1ufx s SER 98 CO 0.67 0.29 0.76 -0.83 1.20 0.00 0.00 173.24 175.33 1ufx s GLY 99 N -0.72 -1.34 0.48 9.45 0.00 -1.26 -5.15 107.32 108.78 1ufx s GLY 99 Ca 0.20 -0.07 -0.22 0.00 0.00 0.00 0.00 44.72 44.63 1ufx s GLY 99 CO 0.09 3.76 1.16 2.56 0.00 0.00 0.00 173.10 180.66 1ufx s PRO 100 N 1.19 3.67 0.32 2.90 0.04 -1.26 -5.06 135.00 136.80 1ufx s PRO 100 Ca 0.25 1.73 0.05 0.00 0.04 0.00 0.00 61.00 63.07 1ufx s PRO 100 Cb 0.00 -2.32 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 1ufx s PRO 100 CO -0.07 -0.61 0.03 -1.12 0.04 0.00 0.00 177.00 175.27 1ufx s SER 101 N -1.45 2.58 -0.26 6.66 0.01 -1.26 -5.14 113.70 114.84 1ufx s SER 101 Ca 0.66 -1.34 -0.01 0.00 1.31 0.00 0.00 55.95 56.56 1ufx s SER 101 Cb -0.27 -0.13 0.08 0.00 0.21 0.00 0.00 66.02 65.91 1ufx s SER 101 CO 0.33 -0.54 0.06 -0.55 0.41 0.00 0.00 173.24 172.94 1ufx s SER 102 N -3.50 3.62 0.00 2.44 0.15 -1.26 -5.35 113.70 109.80 1ufx s SER 102 Ca 0.35 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1ufx s SER 102 Cb 0.08 -0.81 0.00 0.00 -1.71 0.00 0.00 66.02 63.58 1ufx s SER 102 CO 0.15 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.85