#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n49 s GLN 2 N 0.00 0.98 0.16 0.54 -0.21 -1.26 -5.12 119.66 114.75 1n49 s GLN 2 Ca 0.00 -1.37 -0.21 0.00 0.02 0.00 0.00 55.36 53.80 1n49 s GLN 2 Cb 0.00 -2.41 -0.08 0.00 1.00 0.00 0.00 33.01 31.53 1n49 s GLN 2 CO 0.00 -0.98 0.69 0.42 -2.12 0.00 0.00 175.29 173.31 1n49 s ILE 3 N 1.35 4.55 0.26 1.08 1.01 -1.26 -5.08 121.20 123.11 1n49 s ILE 3 Ca 0.10 1.40 0.05 0.00 0.00 0.00 0.00 60.65 62.20 1n49 s ILE 3 Cb -0.18 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 1n49 s ILE 3 CO -0.19 0.42 0.38 0.42 0.00 0.00 0.00 174.94 175.98 1n49 s THR 4 N -1.27 5.09 -1.57 2.92 -4.23 -1.26 -5.02 115.64 110.30 1n49 s THR 4 Ca 0.36 -0.97 0.20 0.00 -1.18 0.00 0.00 61.69 60.10 1n49 s THR 4 Cb -0.20 -3.80 0.67 0.00 1.34 0.00 0.00 72.50 70.51 1n49 s THR 4 CO 0.22 -0.32 1.57 0.18 -0.54 0.00 0.00 174.62 175.73 1n49 n LEU 5 N -1.46 4.24 -0.27 4.79 4.77 -1.26 -4.23 117.00 123.59 1n49 n LEU 5 Ca -0.08 -2.13 -0.05 0.00 -0.03 0.00 0.00 56.01 53.72 1n49 n LEU 5 Cb 0.57 -0.53 0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1n49 n LEU 5 CO 0.45 0.87 1.16 -0.50 -1.33 0.00 0.00 177.39 178.03 1n49 h TRP 6 N 4.08 0.96 -2.05 -1.77 4.06 -2.05 -3.42 115.95 115.75 1n49 h TRP 6 Ca 0.00 0.01 -0.59 0.00 2.06 0.00 0.00 58.89 60.36 1n49 h TRP 6 Cb 1.20 -0.32 -0.12 0.00 -1.00 0.00 0.00 29.16 28.92 1n49 h TRP 6 CO 0.62 0.63 -0.67 0.15 -3.56 0.00 0.00 178.44 175.61 1n49 s LYS 7 N -6.03 1.96 0.17 0.49 1.02 -1.26 -5.08 119.74 111.00 1n49 s LYS 7 Ca -0.13 -1.73 -0.32 0.00 0.02 0.00 0.00 55.97 53.81 1n49 s LYS 7 Cb 0.15 -1.88 -0.12 0.00 -0.52 0.00 0.00 37.83 35.45 1n49 s LYS 7 CO 0.78 0.23 1.74 0.54 -0.92 0.00 0.00 175.35 177.72 1n49 n ARG 8 N -0.83 2.66 -2.18 1.68 1.74 -1.26 -4.83 116.66 113.63 1n49 n ARG 8 Ca -0.05 0.96 -0.31 0.00 -0.77 0.00 0.00 57.85 57.68 1n49 n ARG 8 Cb 0.61 -2.81 -0.05 0.00 -1.02 0.00 0.00 32.46 29.20 1n49 n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1n49 s PRO 9 N 1.69 2.83 0.02 5.56 0.04 -1.26 -4.94 135.00 138.94 1n49 s PRO 9 Ca 0.78 -1.35 -0.14 0.00 0.04 0.00 0.00 61.00 60.34 1n49 s PRO 9 Cb -0.53 -5.31 -0.06 0.00 0.04 0.00 0.00 34.50 28.64 1n49 s PRO 9 CO 0.35 -3.59 0.41 -0.51 0.04 0.00 0.00 177.00 173.70 1n49 s LEU 10 N 9.49 4.44 0.29 -3.56 1.43 -1.26 -1.55 118.68 127.96 1n49 s LEU 10 Ca 0.65 0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 54.66 1n49 s LEU 10 Cb 0.00 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.53 1n49 s LEU 10 CO 0.12 0.29 0.37 0.68 0.23 0.00 0.00 176.35 178.03 1n49 s VAL 11 N -1.16 0.00 -0.23 -1.59 -7.23 0.85 -4.94 120.40 106.10 1n49 s VAL 11 Ca 0.26 -1.72 -0.10 0.00 -1.81 0.00 0.00 61.98 58.61 1n49 s VAL 11 Cb -0.16 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 1n49 s VAL 11 CO 0.14 0.00 0.15 -0.89 -0.31 0.00 0.00 175.10 174.19 1n49 s THR 12 N -3.53 5.33 0.12 5.32 2.01 -1.26 0.15 115.64 123.78 1n49 s THR 12 Ca 0.33 0.17 0.10 0.00 0.31 0.00 0.00 61.69 62.60 1n49 s THR 12 Cb 0.02 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1n49 s THR 12 CO 0.18 0.38 -0.26 0.27 -0.69 0.00 0.00 174.62 174.49 1n49 s ILE 13 N 0.84 2.17 -0.08 1.82 -4.36 0.15 -1.69 121.20 120.05 1n49 s ILE 13 Ca 0.07 -1.70 0.04 0.00 -0.26 0.00 0.00 60.65 58.81 1n49 s ILE 13 Cb -0.13 -1.92 -0.00 0.00 1.25 0.00 0.00 42.46 41.66 1n49 s ILE 13 CO 0.02 0.09 -0.23 -0.13 0.24 0.00 0.00 174.94 174.94 1n49 s ARG 14 N -1.98 2.72 -0.14 0.37 3.00 0.50 0.23 118.95 123.65 1n49 s ARG 14 Ca 0.13 -0.82 -0.18 0.00 0.00 0.00 0.00 55.73 54.85 1n49 s ARG 14 Cb -0.10 -2.13 0.05 0.00 0.00 0.00 0.00 34.95 32.76 1n49 s ARG 14 CO 0.05 0.21 0.48 -1.50 0.00 0.00 0.00 175.30 174.55 1n49 s ILE 15 N 0.24 0.01 -1.74 1.52 2.07 -0.15 -1.03 121.20 122.12 1n49 s ILE 15 Ca -0.14 -0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.02 1n49 s ILE 15 Cb -0.16 -0.71 0.00 0.00 0.13 0.00 0.00 42.46 41.71 1n49 s ILE 15 CO 0.07 -0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 1n49 n GLY 16 N 2.32 1.50 2.24 1.50 0.00 -1.26 0.73 105.19 112.21 1n49 n GLY 16 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1n49 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n49 n GLY 17 N -0.33 0.53 3.50 -0.02 0.00 -1.26 -5.02 105.19 102.58 1n49 n GLY 17 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1n49 n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n49 s GLN 18 N -0.16 2.95 -0.14 1.61 -2.07 0.22 -5.11 119.66 116.96 1n49 s GLN 18 Ca 0.00 -0.61 -0.18 0.00 -1.82 0.00 0.00 55.36 52.75 1n49 s GLN 18 Cb 0.00 -2.59 -0.04 0.00 -1.09 0.00 0.00 33.01 29.29 1n49 s GLN 18 CO 0.00 0.50 0.48 -0.51 -1.32 0.00 0.00 175.29 174.44 1n49 s LEU 19 N -0.38 4.24 0.03 2.60 2.01 -1.26 -0.98 118.68 124.95 1n49 s LEU 19 Ca 0.05 0.77 0.01 0.00 0.01 0.00 0.00 54.13 54.96 1n49 s LEU 19 Cb -0.12 -2.68 -0.02 0.00 0.01 0.00 0.00 46.19 43.37 1n49 s LEU 19 CO 0.02 -0.04 -0.05 -0.54 1.01 0.00 0.00 176.35 176.76 1n49 s LYS 20 N 0.88 0.40 -0.09 1.70 1.02 0.13 -4.98 119.74 118.80 1n49 s LYS 20 Ca 0.25 -0.69 -0.22 0.00 0.02 0.00 0.00 55.97 55.33 1n49 s LYS 20 Cb -0.15 -0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.11 1n49 s LYS 20 CO 0.10 -0.02 0.65 -2.00 -0.92 0.00 0.00 175.35 173.16 1n49 s GLU 21 N -1.63 4.40 0.22 1.68 2.12 -1.26 0.29 118.70 124.52 1n49 s GLU 21 Ca -0.13 0.78 0.06 0.00 0.36 0.00 0.00 54.97 56.04 1n49 s GLU 21 Cb -0.09 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 1n49 s GLU 21 CO -0.01 0.05 -0.07 0.00 -0.54 0.00 0.00 175.26 174.69 1n49 s ALA 22 N 0.89 1.94 -0.20 6.30 0.00 0.12 -4.52 121.76 126.29 1n49 s ALA 22 Ca 0.35 -1.73 -0.03 0.00 0.00 0.00 0.00 51.96 50.55 1n49 s ALA 22 Cb -0.17 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1n49 s ALA 22 CO 0.16 -0.10 -0.07 -1.17 0.00 0.00 0.00 175.76 174.59 1n49 s LEU 23 N -3.32 2.86 -0.03 0.00 2.96 0.04 -0.11 118.68 121.08 1n49 s LEU 23 Ca 0.25 -0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 53.49 1n49 s LEU 23 Cb 0.03 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1n49 s LEU 23 CO 0.08 0.03 1.54 -0.76 -1.32 0.00 0.00 176.35 175.92 1n49 s LEU 24 N 1.18 4.31 -0.41 -0.68 1.02 -0.60 -0.89 118.68 122.62 1n49 s LEU 24 Ca 0.02 2.18 0.02 0.00 0.02 0.00 0.00 54.13 56.37 1n49 s LEU 24 Cb -0.14 -3.55 0.12 0.00 0.02 0.00 0.00 46.19 42.64 1n49 s LEU 24 CO -0.02 -0.85 0.19 0.21 0.02 0.00 0.00 176.35 175.90 1n49 s ASN 25 N 2.66 3.93 0.47 2.29 2.47 0.95 -4.81 114.94 122.89 1n49 s ASN 25 Ca 0.69 -2.38 0.32 0.00 0.42 0.00 0.00 52.86 51.90 1n49 s ASN 25 Cb -0.32 -1.12 1.48 0.00 -1.45 0.00 0.00 41.25 39.84 1n49 s ASN 25 CO 0.27 -0.31 1.95 0.71 -3.72 0.00 0.00 177.10 176.00 1n49 h THR 26 N 5.71 0.00 0.00 -5.21 1.35 -1.92 -2.88 112.91 109.96 1n49 h THR 26 Ca -0.05 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1n49 h THR 26 Cb 0.95 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1n49 h THR 26 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 1n49 n GLY 27 N -0.45 -0.38 3.22 5.82 0.00 -1.26 -4.78 105.19 107.37 1n49 n GLY 27 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1n49 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n49 s ALA 28 N -1.77 -0.83 0.01 4.61 0.00 -1.08 -5.07 121.76 117.62 1n49 s ALA 28 Ca 0.00 0.97 -0.08 0.00 0.00 0.00 0.00 51.96 52.85 1n49 s ALA 28 Cb 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1n49 s ALA 28 CO 0.00 -0.16 0.94 -0.44 0.00 0.00 0.00 175.76 176.09 1n49 h ASP 29 N 5.72 -0.24 -4.44 0.00 3.32 -1.87 0.13 116.42 119.05 1n49 h ASP 29 Ca -0.27 0.01 -0.49 0.00 0.02 0.00 0.00 57.03 56.30 1n49 h ASP 29 Cb 1.19 0.06 0.08 0.00 0.22 0.00 0.00 39.33 40.88 1n49 h ASP 29 CO 0.30 -0.15 0.39 -1.81 -1.72 0.00 0.00 179.24 176.26 1n49 s ASP 30 N -2.70 5.24 -0.16 6.45 1.01 -1.26 -2.10 116.67 123.15 1n49 s ASP 30 Ca -0.04 1.01 -0.06 0.00 0.71 0.00 0.00 52.55 54.17 1n49 s ASP 30 Cb 0.00 -1.75 -0.04 0.00 1.01 0.00 0.00 42.92 42.14 1n49 s ASP 30 CO 0.12 -1.45 0.05 -0.89 0.21 0.00 0.00 175.17 173.22 1n49 s THR 31 N -3.38 4.74 -0.06 -1.27 2.01 -1.26 -3.60 115.64 112.81 1n49 s THR 31 Ca 0.59 -0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.59 1n49 s THR 31 Cb -0.11 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 1n49 s THR 31 CO 0.51 0.50 -0.24 -0.69 -0.69 0.00 0.00 174.62 174.01 1n49 s VAL 32 N 0.02 2.01 0.16 3.82 1.01 -0.29 -1.54 120.40 125.58 1n49 s VAL 32 Ca 0.05 -1.04 0.10 0.00 0.00 0.00 0.00 61.98 61.10 1n49 s VAL 32 Cb -0.12 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1n49 s VAL 32 CO 0.01 0.56 -0.22 -0.76 0.00 0.00 0.00 175.10 174.69 1n49 s LEU 33 N -0.10 2.39 0.68 3.92 1.02 -0.12 -0.04 118.68 126.43 1n49 s LEU 33 Ca -0.05 -0.81 -0.17 0.00 0.02 0.00 0.00 54.13 53.12 1n49 s LEU 33 Cb -0.14 -1.00 0.01 0.00 0.02 0.00 0.00 46.19 45.08 1n49 s LEU 33 CO 0.04 0.06 1.23 -1.61 0.02 0.00 0.00 176.35 176.09 1n49 s GLU 34 N -2.48 2.44 0.19 1.70 2.02 -1.26 -2.00 118.70 119.31 1n49 s GLU 34 Ca 0.15 1.85 -0.31 0.00 0.02 0.00 0.00 54.97 56.68 1n49 s GLU 34 Cb -0.08 -1.86 -0.16 0.00 0.10 0.00 0.00 34.13 32.13 1n49 s GLU 34 CO 0.07 -1.62 0.84 0.39 0.02 0.00 0.00 175.26 174.96 1n49 n GLU 35 N -2.25 0.56 -3.25 1.61 -0.58 -1.20 -4.63 120.64 110.90 1n49 n GLU 35 Ca 0.14 0.20 0.04 0.00 -0.42 0.00 0.00 57.16 57.12 1n49 n GLU 35 Cb 0.50 -1.45 -0.04 0.00 -0.57 0.00 0.00 31.44 29.87 1n49 n GLU 35 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1n49 s MET 36 N -0.87 0.03 0.44 3.49 -1.94 -1.26 -5.03 119.30 114.16 1n49 s MET 36 Ca 0.68 0.06 -0.26 0.00 -1.71 0.00 0.00 55.69 54.47 1n49 s MET 36 Cb -0.90 0.03 -0.09 0.00 2.01 0.00 0.00 34.83 35.88 1n49 s MET 36 CO 0.56 -0.01 1.43 -0.80 -0.01 0.00 0.00 175.02 176.19 1n49 s ASN 37 N 1.87 5.94 0.01 3.03 0.01 -1.26 -5.02 114.94 119.52 1n49 s ASN 37 Ca -0.01 2.93 -0.03 0.00 -0.71 0.00 0.00 52.86 55.04 1n49 s ASN 37 Cb -0.01 -2.65 -0.01 0.00 0.41 0.00 0.00 41.25 38.99 1n49 s ASN 37 CO -0.15 -1.14 0.04 -0.76 -1.51 0.00 0.00 177.10 173.59 1n49 s LEU 38 N -2.65 1.94 0.46 0.60 1.43 -1.26 -5.06 118.68 114.14 1n49 s LEU 38 Ca 0.60 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 53.24 1n49 s LEU 38 Cb -0.44 0.34 -0.06 0.00 0.03 0.00 0.00 46.19 46.06 1n49 s LEU 38 CO 0.57 -0.32 0.83 -2.16 0.23 0.00 0.00 176.35 175.50 1n49 s PRO 39 N -1.37 3.74 0.00 1.29 0.04 -1.26 -5.00 135.00 132.45 1n49 s PRO 39 Ca -0.15 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1n49 s PRO 39 Cb -0.09 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1n49 s PRO 39 CO 0.00 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1n49 n GLY 40 N -1.66 2.46 3.80 0.56 0.00 -1.26 -5.04 105.19 104.06 1n49 n GLY 40 Ca 0.03 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 43.65 1n49 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n49 s LYS 41 N -2.17 2.43 -0.27 1.61 0.00 -1.26 -5.06 119.74 115.02 1n49 s LYS 41 Ca 0.00 0.88 -0.24 0.00 0.00 0.00 0.00 55.97 56.61 1n49 s LYS 41 Cb 0.00 -1.94 0.08 0.00 0.00 0.00 0.00 37.83 35.97 1n49 s LYS 41 CO 0.00 -1.44 0.77 1.67 0.00 0.00 0.00 175.35 176.35 1n49 s TRP 42 N -3.05 -0.76 0.01 1.78 1.48 -1.26 -4.63 118.94 112.51 1n49 s TRP 42 Ca 0.60 1.82 0.00 0.00 -1.06 0.00 0.00 56.10 57.46 1n49 s TRP 42 Cb -0.15 0.32 -0.04 0.00 -1.16 0.00 0.00 33.47 32.44 1n49 s TRP 42 CO 0.55 -0.37 0.06 0.15 -4.06 0.00 0.00 176.95 173.28 1n49 s LYS 43 N 0.48 2.97 0.37 3.25 -0.14 -1.11 -4.90 119.74 120.66 1n49 s LYS 43 Ca -0.01 -0.54 -0.25 0.00 -1.36 0.00 0.00 55.97 53.81 1n49 s LYS 43 Cb -0.05 -2.79 -0.09 0.00 -1.68 0.00 0.00 37.83 33.21 1n49 s LYS 43 CO -0.02 0.63 1.04 -2.14 -0.76 0.00 0.00 175.35 174.09 1n49 s PRO 44 N -1.77 4.31 0.09 -1.68 0.02 -1.26 -0.57 135.00 134.14 1n49 s PRO 44 Ca 0.23 1.51 -0.04 0.00 0.02 0.00 0.00 61.00 62.72 1n49 s PRO 44 Cb -0.12 -2.68 -0.03 0.00 0.02 0.00 0.00 34.50 31.69 1n49 s PRO 44 CO 0.14 -0.01 0.08 0.15 -0.33 0.00 0.00 177.00 177.03 1n49 s LYS 45 N -2.26 0.79 -0.11 5.54 1.02 0.17 -4.85 119.74 120.04 1n49 s LYS 45 Ca 0.54 -1.19 0.02 0.00 0.02 0.00 0.00 55.97 55.36 1n49 s LYS 45 Cb -0.23 0.27 0.01 0.00 -0.52 0.00 0.00 37.83 37.37 1n49 s LYS 45 CO 0.29 -0.21 -0.15 1.41 -0.92 0.00 0.00 175.35 175.77 1n49 s MET 46 N -3.93 2.14 0.01 1.68 1.75 -1.26 0.50 119.30 120.18 1n49 s MET 46 Ca 0.11 -0.53 0.04 0.00 -1.25 0.00 0.00 55.69 54.06 1n49 s MET 46 Cb 0.07 -1.83 -0.02 0.00 2.84 0.00 0.00 34.83 35.89 1n49 s MET 46 CO -0.07 -0.07 -0.13 0.96 -0.65 0.00 0.00 175.02 175.06 1n49 s ILE 47 N 0.99 1.05 -0.23 10.11 -4.36 -0.41 -4.96 121.20 123.40 1n49 s ILE 47 Ca -0.07 -0.76 -0.09 0.00 -0.26 0.00 0.00 60.65 59.48 1n49 s ILE 47 Cb -0.15 -0.92 -0.04 0.00 1.25 0.00 0.00 42.46 42.60 1n49 s ILE 47 CO -0.01 0.15 0.11 -0.83 0.24 0.00 0.00 174.94 174.60 1n49 s GLY 48 N -0.69 1.90 0.00 6.27 0.00 -1.26 -0.62 107.32 112.92 1n49 s GLY 48 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1n49 s GLY 48 CO 0.00 0.33 0.00 0.61 0.00 0.00 0.00 173.10 174.04 1n49 n GLY 49 N 4.24 1.71 0.18 0.20 0.00 0.43 -4.94 105.19 106.99 1n49 n GLY 49 Ca -0.16 -1.97 -0.03 0.00 0.00 0.00 0.00 46.02 43.86 1n49 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1n49 h ILE 50 N 0.00 1.36 -0.39 -0.61 6.09 -2.03 -3.28 117.51 118.65 1n49 h ILE 50 Ca 0.00 -1.79 0.00 0.00 -1.37 0.00 0.00 64.86 61.70 1n49 h ILE 50 Cb 0.00 1.88 0.00 0.00 0.47 0.00 0.00 36.82 39.17 1n49 h ILE 50 CO 0.00 0.53 0.00 0.61 -3.07 0.00 0.00 178.15 176.22 1n49 n GLY 51 N 0.06 2.22 0.00 8.18 0.00 -1.26 -5.08 105.19 109.31 1n49 n GLY 51 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1n49 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n49 n GLY 52 N 0.88 0.43 3.57 -0.02 0.00 -1.24 -5.13 105.19 103.68 1n49 n GLY 52 Ca 0.15 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 1n49 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n49 s PHE 53 N -3.12 2.69 0.10 1.61 0.40 -1.26 0.16 117.98 118.56 1n49 s PHE 53 Ca 0.00 -0.19 0.04 0.00 -0.60 0.00 0.00 56.93 56.18 1n49 s PHE 53 Cb 0.00 -1.37 -0.03 0.00 0.51 0.00 0.00 43.02 42.13 1n49 s PHE 53 CO 0.00 0.46 -0.11 0.96 0.70 0.00 0.00 175.22 177.23 1n49 s ILE 54 N -1.43 1.01 -0.02 0.64 -4.36 0.21 -4.95 121.20 112.30 1n49 s ILE 54 Ca 0.23 -1.58 -0.17 0.00 -0.26 0.00 0.00 60.65 58.86 1n49 s ILE 54 Cb -0.10 -1.32 -0.05 0.00 1.25 0.00 0.00 42.46 42.24 1n49 s ILE 54 CO 0.14 -0.48 0.47 -0.75 0.24 0.00 0.00 174.94 174.57 1n49 s LYS 55 N -2.57 4.14 0.23 0.37 2.20 -1.26 -1.29 119.74 121.55 1n49 s LYS 55 Ca 0.04 0.51 0.01 0.00 -0.36 0.00 0.00 55.97 56.17 1n49 s LYS 55 Cb -0.05 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 1n49 s LYS 55 CO 0.01 0.49 0.07 0.14 -0.36 0.00 0.00 175.35 175.70 1n49 s VAL 56 N -0.49 0.56 -0.18 4.02 -7.23 0.18 -4.30 120.40 112.96 1n49 s VAL 56 Ca 0.26 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1n49 s VAL 56 Cb -0.17 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 1n49 s VAL 56 CO 0.14 -0.15 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.55 1n49 s ARG 57 N -4.01 3.33 -0.31 4.82 0.52 0.41 0.44 118.95 124.15 1n49 s ARG 57 Ca 0.33 -0.67 -0.16 0.00 -0.52 0.00 0.00 55.73 54.72 1n49 s ARG 57 Cb 0.07 -2.82 -0.02 0.00 0.52 0.00 0.00 34.95 32.70 1n49 s ARG 57 CO 0.10 -0.06 0.40 -1.14 0.02 0.00 0.00 175.30 174.62 1n49 s GLN 58 N 1.08 3.76 -0.08 3.54 0.74 0.26 -0.43 119.66 128.54 1n49 s GLN 58 Ca 0.00 -0.17 -0.01 0.00 0.05 0.00 0.00 55.36 55.23 1n49 s GLN 58 Cb -0.15 -3.74 -0.03 0.00 1.10 0.00 0.00 33.01 30.19 1n49 s GLN 58 CO -0.02 -0.45 0.00 0.71 -0.55 0.00 0.00 175.29 174.99 1n49 s TYR 59 N 2.12 3.15 0.13 1.67 1.51 0.13 -2.75 117.35 123.32 1n49 s TYR 59 Ca 0.15 0.18 0.07 0.00 -1.01 0.00 0.00 57.07 56.46 1n49 s TYR 59 Cb -0.16 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 1n49 s TYR 59 CO 0.11 0.47 -0.06 -0.51 -1.11 0.00 0.00 175.55 174.45 1n49 s ASP 60 N -0.95 4.58 -1.23 2.29 1.01 -1.26 0.20 116.67 121.30 1n49 s ASP 60 Ca 0.14 -0.38 -0.01 0.00 0.71 0.00 0.00 52.55 53.00 1n49 s ASP 60 Cb -0.11 -0.92 0.00 0.00 1.01 0.00 0.00 42.92 42.89 1n49 s ASP 60 CO 0.03 0.14 0.99 0.00 0.21 0.00 0.00 175.17 176.54 1n49 n GLN 61 N 0.36 -6.60 -3.77 8.23 0.00 -1.13 -4.90 117.38 109.57 1n49 n GLN 61 Ca -0.12 0.82 -0.36 0.00 0.00 0.00 0.00 57.00 57.34 1n49 n GLN 61 Cb 0.53 -5.80 -0.11 0.00 0.00 0.00 0.00 30.24 24.86 1n49 n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1n49 s ILE 62 N -3.38 4.78 -0.02 -0.39 -1.09 -0.02 -4.77 121.20 116.32 1n49 s ILE 62 Ca 0.07 -0.02 -0.30 0.00 -2.23 0.00 0.00 60.65 58.17 1n49 s ILE 62 Cb -0.03 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 1n49 s ILE 62 CO 0.74 0.35 1.15 -2.84 -1.23 0.00 0.00 174.94 173.11 1n49 s PRO 63 N 1.29 4.41 -0.10 2.79 0.02 -1.26 -1.41 135.00 140.74 1n49 s PRO 63 Ca 0.06 1.64 -0.01 0.00 0.02 0.00 0.00 61.00 62.71 1n49 s PRO 63 Cb -0.15 -3.48 0.03 0.00 0.02 0.00 0.00 34.50 30.92 1n49 s PRO 63 CO 0.05 -0.32 -0.04 0.08 -0.33 0.00 0.00 177.00 176.43 1n49 s VAL 64 N 1.68 0.79 -0.28 3.83 1.01 0.17 -4.48 120.40 123.11 1n49 s VAL 64 Ca 0.56 -0.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.19 1n49 s VAL 64 Cb -0.25 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1n49 s VAL 64 CO 0.25 0.30 0.48 -0.70 0.00 0.00 0.00 175.10 175.43 1n49 s GLU 65 N 1.80 3.95 -0.23 2.72 2.12 -0.20 -2.50 118.70 126.37 1n49 s GLU 65 Ca 0.05 0.14 -0.04 0.00 0.36 0.00 0.00 54.97 55.48 1n49 s GLU 65 Cb -0.13 -3.69 -0.00 0.00 0.26 0.00 0.00 34.13 30.57 1n49 s GLU 65 CO -0.07 -0.40 -0.03 0.42 -0.54 0.00 0.00 175.26 174.63 1n49 s ILE 66 N 2.28 3.36 -1.60 -3.70 1.01 0.40 -0.37 121.20 122.57 1n49 s ILE 66 Ca 0.19 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 1n49 s ILE 66 Cb -0.16 -2.58 0.07 0.00 0.01 0.00 0.00 42.46 39.80 1n49 s ILE 66 CO 0.10 0.34 0.37 0.00 0.00 0.00 0.00 174.94 175.75 1n49 n GLY 68 N -1.94 2.51 3.82 0.00 0.00 -1.26 -4.91 105.19 103.41 1n49 n GLY 68 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1n49 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n49 s HIS 69 N -2.24 3.71 0.20 1.61 4.02 0.17 -5.07 115.29 117.69 1n49 s HIS 69 Ca 0.00 1.00 -0.20 0.00 1.02 0.00 0.00 55.06 56.88 1n49 s HIS 69 Cb 0.00 -2.34 -0.08 0.00 -1.02 0.00 0.00 32.58 29.14 1n49 s HIS 69 CO 0.00 0.58 0.70 -1.59 1.02 0.00 0.00 174.74 175.46 1n49 s LYS 70 N -0.88 4.27 -0.10 1.40 0.00 -1.26 -0.46 119.74 122.71 1n49 s LYS 70 Ca 0.24 0.87 -0.20 0.00 0.00 0.00 0.00 55.97 56.88 1n49 s LYS 70 Cb -0.17 -2.97 0.05 0.00 0.00 0.00 0.00 37.83 34.74 1n49 s LYS 70 CO 0.13 0.45 0.49 0.00 0.00 0.00 0.00 175.35 176.42 1n49 s ALA 71 N -1.43 -1.23 -0.07 0.59 0.00 -1.04 -4.58 121.76 114.00 1n49 s ALA 71 Ca 0.40 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.40 1n49 s ALA 71 Cb -0.18 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.64 1n49 s ALA 71 CO 0.21 -0.28 -0.00 0.42 0.00 0.00 0.00 175.76 176.11 1n49 s ILE 72 N -0.61 0.39 0.01 0.00 1.01 -1.26 0.46 121.20 121.21 1n49 s ILE 72 Ca -0.07 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.66 1n49 s ILE 72 Cb -0.03 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.91 1n49 s ILE 72 CO 0.04 0.26 0.12 0.61 0.00 0.00 0.00 174.94 175.97 1n49 n GLY 73 N 5.06 1.08 3.68 6.18 0.00 -0.50 -4.83 105.19 115.86 1n49 n GLY 73 Ca -0.09 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1n49 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n49 s THR 74 N -2.43 4.38 -0.03 2.61 2.01 -1.26 -0.84 115.64 120.09 1n49 s THR 74 Ca 0.03 1.68 0.07 0.00 0.31 0.00 0.00 61.69 63.78 1n49 s THR 74 Cb -0.00 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 1n49 s THR 74 CO 0.00 -0.04 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.97 1n49 s VAL 75 N 2.47 2.23 -0.14 3.82 1.01 0.13 -4.48 120.40 125.45 1n49 s VAL 75 Ca 0.54 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1n49 s VAL 75 Cb -0.22 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1n49 s VAL 75 CO 0.19 0.58 -0.04 -0.76 0.00 0.00 0.00 175.10 175.07 1n49 s LEU 76 N -0.62 3.25 -0.08 3.92 1.43 -0.59 0.21 118.68 126.21 1n49 s LEU 76 Ca 0.10 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 1n49 s LEU 76 Cb -0.10 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1n49 s LEU 76 CO -0.01 0.20 -0.19 -0.69 0.23 0.00 0.00 176.35 175.90 1n49 s VAL 77 N 0.17 2.59 -1.59 -1.59 1.01 0.43 -0.94 120.40 120.47 1n49 s VAL 77 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1n49 s VAL 77 Cb -0.14 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1n49 s VAL 77 CO 0.03 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1n49 n GLY 78 N 2.99 -1.31 3.58 4.51 0.00 -0.85 -0.44 105.19 113.66 1n49 n GLY 78 Ca -0.18 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.70 1n49 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n49 s PRO 79 N -0.73 1.64 -0.04 1.61 0.04 -1.26 -3.25 135.00 133.01 1n49 s PRO 79 Ca 0.00 -0.72 0.04 0.00 0.04 0.00 0.00 61.00 60.36 1n49 s PRO 79 Cb 0.00 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.46 1n49 s PRO 79 CO 0.00 -4.99 -0.15 -0.08 0.04 0.00 0.00 177.00 171.83 1n49 s THR 80 N 14.93 1.24 -1.72 1.26 -1.32 -1.26 -5.00 115.64 123.77 1n49 s THR 80 Ca 0.77 -0.60 0.29 0.00 -1.21 0.00 0.00 61.69 60.94 1n49 s THR 80 Cb -0.03 -1.08 0.67 0.00 -1.51 0.00 0.00 72.50 70.54 1n49 s THR 80 CO 0.17 0.37 2.03 -0.81 -2.21 0.00 0.00 174.62 174.17 1n49 n PRO 81 N 3.30 0.67 -3.78 7.08 -0.04 -1.26 -4.39 135.00 136.57 1n49 n PRO 81 Ca -0.19 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 1n49 n PRO 81 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 1n49 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n49 s ALA 82 N -2.28 -0.61 -0.40 0.55 0.00 -1.26 -5.04 121.76 112.71 1n49 s ALA 82 Ca 0.36 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 1n49 s ALA 82 Cb 0.20 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1n49 s ALA 82 CO 0.38 -0.13 1.25 -0.80 0.00 0.00 0.00 175.76 176.46 1n49 s ASN 83 N 0.33 6.58 -0.24 0.00 0.01 -1.26 -4.62 114.94 115.75 1n49 s ASN 83 Ca -0.02 0.80 -0.07 0.00 -0.71 0.00 0.00 52.86 52.87 1n49 s ASN 83 Cb -0.03 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.06 1n49 s ASN 83 CO -0.01 -1.23 0.05 -0.63 -1.51 0.00 0.00 177.10 173.76 1n49 s ILE 84 N 4.66 4.15 -0.41 0.60 1.09 0.94 -0.78 121.20 131.45 1n49 s ILE 84 Ca 0.54 -0.23 -0.24 0.00 -1.10 0.00 0.00 60.65 59.62 1n49 s ILE 84 Cb -0.12 -2.93 0.02 0.00 -1.06 0.00 0.00 42.46 38.37 1n49 s ILE 84 CO 0.28 0.36 0.83 -0.63 -0.10 0.00 0.00 174.94 175.68 1n49 s ILE 85 N 1.57 4.64 0.82 2.92 1.01 -0.06 -1.14 121.20 130.95 1n49 s ILE 85 Ca 0.06 0.72 -0.12 0.00 0.00 0.00 0.00 60.65 61.32 1n49 s ILE 85 Cb -0.15 -4.30 0.18 0.00 0.01 0.00 0.00 42.46 38.20 1n49 s ILE 85 CO 0.02 -0.62 1.11 0.61 0.00 0.00 0.00 174.94 176.06 1n49 n GLY 86 N 4.76 -1.06 0.12 6.18 0.00 -1.24 -0.04 105.19 113.92 1n49 n GLY 86 Ca 0.04 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 1n49 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1n49 h ARG 87 N 0.00 -0.13 -0.58 1.61 2.47 -0.16 -2.06 114.38 115.53 1n49 h ARG 87 Ca -0.36 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.43 1n49 h ARG 87 Cb 1.05 0.03 -0.10 0.00 -1.65 0.00 0.00 29.97 29.30 1n49 h ARG 87 CO 0.27 -0.08 -0.55 -2.95 0.56 0.00 0.00 179.97 177.22 1n49 h ASN 88 N -0.13 -1.90 0.09 7.04 -1.07 -1.79 0.33 115.58 118.15 1n49 h ASN 88 Ca 0.04 0.27 -0.04 0.00 0.07 0.00 0.00 56.30 56.63 1n49 h ASN 88 Cb 0.18 0.80 -0.01 0.00 -2.07 0.00 0.00 38.32 37.22 1n49 h ASN 88 CO -0.09 -0.35 -0.15 -0.07 0.07 0.00 0.00 177.43 176.83 1n49 h LEU 89 N -0.28 0.13 0.00 6.14 3.38 -1.85 -1.73 115.31 121.10 1n49 h LEU 89 Ca 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1n49 h LEU 89 Cb 0.55 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1n49 h LEU 89 CO -0.70 0.30 -0.00 -0.07 0.09 0.00 0.00 178.44 178.06 1n49 h LEU 90 N 0.13 -0.00 -1.15 1.67 3.38 0.24 -1.91 115.31 117.67 1n49 h LEU 90 Ca 0.03 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1n49 h LEU 90 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1n49 h LEU 90 CO 0.02 0.04 0.05 0.71 0.09 0.00 0.00 178.44 179.36 1n49 h THR 91 N -0.05 1.21 -0.79 0.22 1.35 -0.44 -0.31 112.91 114.10 1n49 h THR 91 Ca -0.00 -0.79 0.06 0.00 -0.55 0.00 0.00 66.41 65.12 1n49 h THR 91 Cb 0.05 0.84 -0.05 0.00 -1.73 0.00 0.00 68.15 67.25 1n49 h THR 91 CO 0.00 0.28 0.52 1.56 -0.25 0.00 0.00 175.52 177.63 1n49 h GLN 92 N 0.62 0.86 -0.43 4.72 4.20 -0.62 0.30 115.11 124.77 1n49 h GLN 92 Ca 0.14 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1n49 h GLN 92 Cb 0.31 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1n49 h GLN 92 CO 0.01 0.57 0.00 0.44 -0.67 0.00 0.00 178.83 179.18 1n49 n ILE 93 N -4.47 0.59 -2.75 2.54 -5.35 -0.79 -4.92 119.36 104.20 1n49 n ILE 93 Ca 0.11 -0.57 -0.09 0.00 -0.27 0.00 0.00 62.75 61.93 1n49 n ILE 93 Cb 0.19 0.27 0.02 0.00 -1.74 0.00 0.00 39.64 38.38 1n49 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n49 n GLY 94 N 1.15 0.29 3.86 3.28 0.00 0.10 -5.03 105.19 108.83 1n49 n GLY 94 Ca 0.14 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1n49 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n49 s THR 96 N -1.48 0.06 -0.23 0.00 -4.23 -1.26 -4.49 115.64 104.01 1n49 s THR 96 Ca 0.37 -1.78 -0.08 0.00 -1.18 0.00 0.00 61.69 59.02 1n49 s THR 96 Cb -0.14 -2.14 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 1n49 s THR 96 CO 0.19 -0.26 0.08 -0.76 -0.54 0.00 0.00 174.62 173.33 1n49 s LEU 97 N -3.06 3.63 -0.08 4.79 1.43 -1.26 -5.09 118.68 119.04 1n49 s LEU 97 Ca 0.27 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 1n49 s LEU 97 Cb 0.06 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 1n49 s LEU 97 CO 0.05 0.04 -0.21 0.20 0.23 0.00 0.00 176.35 176.66 1n49 s ASN 98 N 1.18 2.68 0.00 2.29 0.01 -1.26 -5.32 114.94 114.53 1n49 s ASN 98 Ca 0.05 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 1n49 s ASN 98 Cb -0.14 -1.06 0.00 0.00 0.41 0.00 0.00 41.25 40.46 1n49 s ASN 98 CO 0.04 0.15 0.00 2.22 -1.51 0.00 0.00 177.10 178.00