#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q63 s GLN 2 N 0.00 3.67 -0.22 0.54 0.74 -1.26 -5.10 119.66 118.03 2q63 s GLN 2 Ca 0.00 -0.47 0.00 0.00 0.05 0.00 0.00 55.36 54.95 2q63 s GLN 2 Cb 0.00 -2.97 0.03 0.00 1.10 0.00 0.00 33.01 31.17 2q63 s GLN 2 CO 0.00 0.30 -0.13 0.42 -0.55 0.00 0.00 175.29 175.33 2q63 s ILE 3 N 0.22 2.39 0.81 -2.34 1.01 -1.26 -5.12 121.20 116.91 2q63 s ILE 3 Ca -0.01 -1.11 -0.12 0.00 0.00 0.00 0.00 60.65 59.41 2q63 s ILE 3 Cb -0.13 -2.17 0.08 0.00 0.01 0.00 0.00 42.46 40.25 2q63 s ILE 3 CO 0.02 0.30 1.17 0.42 0.00 0.00 0.00 174.94 176.85 2q63 s THR 4 N 1.26 2.09 -0.14 2.92 -4.23 -1.26 -5.02 115.64 111.26 2q63 s THR 4 Ca 0.00 0.03 0.18 0.00 -1.18 0.00 0.00 61.69 60.72 2q63 s THR 4 Cb -0.16 -3.00 0.32 0.00 1.34 0.00 0.00 72.50 71.00 2q63 s THR 4 CO -0.08 -0.04 1.17 0.18 -0.54 0.00 0.00 174.62 175.31 2q63 n LEU 5 N -3.35 2.47 0.16 4.79 4.77 -1.26 -4.55 117.00 120.04 2q63 n LEU 5 Ca 0.08 -3.19 0.01 0.00 -0.03 0.00 0.00 56.01 52.88 2q63 n LEU 5 Cb 0.61 -0.45 0.30 0.00 -2.33 0.00 0.00 43.42 41.55 2q63 n LEU 5 CO 0.57 0.80 0.67 -0.50 -1.33 0.00 0.00 177.39 177.60 2q63 h TRP 6 N 0.20 0.05 -1.87 -1.77 4.06 -2.06 -3.43 115.95 111.13 2q63 h TRP 6 Ca 0.00 -0.01 -0.61 0.00 2.06 0.00 0.00 58.89 60.33 2q63 h TRP 6 Cb 1.02 -0.01 -0.13 0.00 -1.00 0.00 0.00 29.16 29.05 2q63 h TRP 6 CO 0.12 0.45 -0.65 -0.65 -3.56 0.00 0.00 178.44 174.16 2q63 s GLN 7 N -4.09 1.91 0.31 0.49 -1.52 -1.26 -5.11 119.66 110.39 2q63 s GLN 7 Ca -0.03 -1.93 -0.29 0.00 -1.95 0.00 0.00 55.36 51.16 2q63 s GLN 7 Cb 0.14 -1.74 -0.12 0.00 -0.22 0.00 0.00 33.01 31.06 2q63 s GLN 7 CO 0.74 0.09 1.41 0.54 -0.25 0.00 0.00 175.29 177.83 2q63 n ARG 8 N -0.87 2.31 -2.22 2.91 1.74 -1.26 -4.88 116.66 114.39 2q63 n ARG 8 Ca -0.05 0.82 -0.43 0.00 -0.77 0.00 0.00 57.85 57.42 2q63 n ARG 8 Cb 0.64 -2.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 2q63 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2q63 n PRO 9 N 1.24 3.14 -3.19 5.56 -0.04 -1.26 -4.97 135.00 135.48 2q63 n PRO 9 Ca 0.07 -3.10 -0.39 0.00 -0.04 0.00 0.00 63.50 60.04 2q63 n PRO 9 Cb 0.35 -3.26 -0.06 0.00 -0.04 0.00 0.00 33.50 30.50 2q63 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2q63 s LEU 10 N 2.33 4.43 0.13 1.53 1.43 -1.26 -0.76 118.68 126.52 2q63 s LEU 10 Ca 0.47 1.20 0.05 0.00 -1.03 0.00 0.00 54.13 54.82 2q63 s LEU 10 Cb 0.08 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 2q63 s LEU 10 CO -0.01 0.11 -0.11 0.68 0.23 0.00 0.00 176.35 177.25 2q63 s VAL 11 N -0.26 1.18 -0.05 -1.59 -7.23 0.12 -4.93 120.40 107.63 2q63 s VAL 11 Ca 0.31 -1.91 -0.24 0.00 -1.81 0.00 0.00 61.98 58.33 2q63 s VAL 11 Cb -0.19 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 2q63 s VAL 11 CO 0.18 -0.64 0.73 -0.89 -0.31 0.00 0.00 175.10 174.17 2q63 s THR 12 N -2.89 5.00 0.19 5.32 2.01 -1.26 -0.38 115.64 123.63 2q63 s THR 12 Ca 0.13 1.52 0.11 0.00 0.31 0.00 0.00 61.69 63.76 2q63 s THR 12 Cb -0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2q63 s THR 12 CO 0.01 0.25 -0.22 0.27 -0.69 0.00 0.00 174.62 174.24 2q63 s ILE 13 N 0.74 2.47 -0.16 1.82 -4.36 0.11 -1.81 121.20 120.01 2q63 s ILE 13 Ca 0.39 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 58.82 2q63 s ILE 13 Cb -0.18 -2.19 0.02 0.00 1.25 0.00 0.00 42.46 41.36 2q63 s ILE 13 CO 0.20 -0.11 -0.17 -0.75 0.24 0.00 0.00 174.94 174.34 2q63 s LYS 14 N -2.67 2.66 -0.09 0.37 2.20 0.60 -0.87 119.74 121.95 2q63 s LYS 14 Ca 0.21 -0.70 -0.05 0.00 -0.36 0.00 0.00 55.97 55.07 2q63 s LYS 14 Cb -0.08 -2.34 0.04 0.00 -1.51 0.00 0.00 37.83 33.94 2q63 s LYS 14 CO 0.10 -0.20 0.21 -1.50 -0.36 0.00 0.00 175.35 173.60 2q63 s ILE 15 N 1.34 -0.03 -1.49 5.43 2.07 -0.42 -0.31 121.20 127.79 2q63 s ILE 15 Ca 0.04 0.12 -0.13 0.00 -1.41 0.00 0.00 60.65 59.26 2q63 s ILE 15 Cb -0.13 -0.32 0.10 0.00 0.13 0.00 0.00 42.46 42.23 2q63 s ILE 15 CO -0.11 0.05 0.74 0.61 -1.91 0.00 0.00 174.94 174.32 2q63 n GLY 16 N 3.89 -0.48 2.80 1.50 0.00 -1.26 -1.10 105.19 110.54 2q63 n GLY 16 Ca -0.22 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2q63 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q63 n GLY 17 N -1.42 1.35 3.66 -0.02 0.00 -1.26 -5.01 105.19 102.48 2q63 n GLY 17 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2q63 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2q63 s GLN 18 N -0.07 2.67 -0.19 1.61 -0.21 -0.26 -5.11 119.66 118.10 2q63 s GLN 18 Ca 0.00 -0.69 -0.13 0.00 0.02 0.00 0.00 55.36 54.56 2q63 s GLN 18 Cb 0.00 -2.59 -0.05 0.00 1.00 0.00 0.00 33.01 31.37 2q63 s GLN 18 CO 0.00 0.60 0.26 -0.51 -2.12 0.00 0.00 175.29 173.52 2q63 s LEU 19 N -1.65 4.19 0.17 2.90 1.43 -1.26 -1.30 118.68 123.17 2q63 s LEU 19 Ca 0.20 0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 2q63 s LEU 19 Cb -0.11 -2.29 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 2q63 s LEU 19 CO 0.11 0.07 -0.01 -0.54 0.23 0.00 0.00 176.35 176.21 2q63 s LYS 20 N 0.74 1.10 -0.06 1.70 1.02 -0.04 -4.99 119.74 119.20 2q63 s LYS 20 Ca 0.14 -1.52 -0.02 0.00 0.02 0.00 0.00 55.97 54.58 2q63 s LYS 20 Cb -0.13 -0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 36.83 2q63 s LYS 20 CO 0.04 -0.10 0.06 -2.00 -0.92 0.00 0.00 175.35 172.43 2q63 s GLU 21 N -3.89 3.11 0.03 1.68 2.12 -1.26 0.05 118.70 120.54 2q63 s GLU 21 Ca 0.23 -0.37 -0.05 0.00 0.36 0.00 0.00 54.97 55.14 2q63 s GLU 21 Cb 0.06 -2.90 -0.01 0.00 0.26 0.00 0.00 34.13 31.53 2q63 s GLU 21 CO 0.03 0.70 0.07 0.00 -0.54 0.00 0.00 175.26 175.52 2q63 s ALA 22 N -1.03 -0.04 -0.22 6.30 0.00 0.49 -4.43 121.76 122.84 2q63 s ALA 22 Ca 0.17 -0.53 -0.10 0.00 0.00 0.00 0.00 51.96 51.50 2q63 s ALA 22 Cb -0.12 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 2q63 s ALA 22 CO 0.07 -0.27 0.14 -1.17 0.00 0.00 0.00 175.76 174.52 2q63 s LEU 23 N -1.93 4.07 -0.29 0.00 2.96 0.16 0.15 118.68 123.80 2q63 s LEU 23 Ca -0.08 0.12 -0.29 0.00 -0.22 0.00 0.00 54.13 53.67 2q63 s LEU 23 Cb -0.03 -2.07 -0.00 0.00 0.50 0.00 0.00 46.19 44.58 2q63 s LEU 23 CO -0.03 0.10 1.37 -0.76 -1.32 0.00 0.00 176.35 175.71 2q63 s LEU 24 N 0.81 3.87 -0.40 -0.68 1.43 0.06 -0.70 118.68 123.07 2q63 s LEU 24 Ca 0.07 1.27 0.02 0.00 -1.03 0.00 0.00 54.13 54.46 2q63 s LEU 24 Cb -0.13 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.67 2q63 s LEU 24 CO 0.02 -1.13 0.17 -0.62 0.23 0.00 0.00 176.35 175.02 2q63 s ASP 25 N 3.12 4.05 0.57 2.29 -1.08 -0.44 -4.77 116.67 120.41 2q63 s ASP 25 Ca 0.59 -2.35 0.32 0.00 -0.52 0.00 0.00 52.55 50.60 2q63 s ASP 25 Cb -0.18 -1.19 1.74 0.00 -1.46 0.00 0.00 42.92 41.83 2q63 s ASP 25 CO 0.25 -0.32 2.17 0.71 0.52 0.00 0.00 175.17 178.50 2q63 h THR 26 N 5.85 0.38 -0.03 1.71 1.35 -1.93 -2.03 112.91 118.21 2q63 h THR 26 Ca -0.06 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2q63 h THR 26 Cb 0.96 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 2q63 h THR 26 CO 0.52 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 2q63 n GLY 27 N -0.86 -0.56 3.40 5.82 0.00 -1.26 -4.78 105.19 106.95 2q63 n GLY 27 Ca -0.02 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 2q63 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q63 s ALA 28 N -1.96 2.98 0.30 4.61 0.00 -0.76 -4.99 121.76 121.93 2q63 s ALA 28 Ca 0.37 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 51.32 2q63 s ALA 28 Cb 0.18 -1.81 0.47 0.00 0.00 0.00 0.00 23.12 21.96 2q63 s ALA 28 CO 0.30 -0.32 1.71 -0.44 0.00 0.00 0.00 175.76 177.00 2q63 h ASP 29 N 7.88 0.24 -1.92 0.00 3.32 -1.86 -0.10 116.42 123.98 2q63 h ASP 29 Ca -0.38 -0.10 -0.60 0.00 0.02 0.00 0.00 57.03 55.97 2q63 h ASP 29 Cb 1.17 -0.07 -0.12 0.00 0.22 0.00 0.00 39.33 40.53 2q63 h ASP 29 CO 0.60 0.63 -0.64 0.20 -1.72 0.00 0.00 179.24 178.30 2q63 s ASN 30 N -6.88 3.98 -0.20 6.45 -0.87 -1.26 -3.31 114.94 112.86 2q63 s ASN 30 Ca -0.04 -1.09 -0.11 0.00 -1.57 0.00 0.00 52.86 50.04 2q63 s ASN 30 Cb 0.13 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.25 40.87 2q63 s ASN 30 CO 0.77 -0.23 0.19 -0.89 -2.57 0.00 0.00 177.10 174.36 2q63 s THR 31 N -2.56 5.36 -0.13 1.60 2.01 -1.26 -3.17 115.64 117.49 2q63 s THR 31 Ca 0.34 0.29 -0.01 0.00 0.31 0.00 0.00 61.69 62.62 2q63 s THR 31 Cb 0.01 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 69.03 2q63 s THR 31 CO 0.18 0.39 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.77 2q63 s VAL 32 N 0.63 0.91 0.09 3.82 1.01 0.32 -0.72 120.40 126.46 2q63 s VAL 32 Ca 0.10 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.77 2q63 s VAL 32 Cb -0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2q63 s VAL 32 CO 0.01 0.21 -0.07 -0.76 0.00 0.00 0.00 175.10 174.50 2q63 s LEU 33 N 1.73 3.18 1.12 3.92 1.43 0.54 -0.18 118.68 130.43 2q63 s LEU 33 Ca 0.03 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 2q63 s LEU 33 Cb -0.14 -1.94 0.22 0.00 0.03 0.00 0.00 46.19 44.36 2q63 s LEU 33 CO -0.08 0.19 0.77 -0.62 0.23 0.00 0.00 176.35 176.85 2q63 n GLU 34 N 0.77 -1.93 -1.68 1.70 1.02 -1.25 -1.32 120.64 117.94 2q63 n GLU 34 Ca -0.13 -0.53 -0.56 0.00 -0.02 0.00 0.00 57.16 55.92 2q63 n GLU 34 Cb 0.52 -2.07 -0.07 0.00 -0.02 0.00 0.00 31.44 29.80 2q63 n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2q63 n GLU 35 N -4.06 1.17 -3.59 3.49 4.07 -1.24 -4.49 120.64 115.99 2q63 n GLU 35 Ca 0.04 0.43 -0.15 0.00 -0.06 0.00 0.00 57.16 57.41 2q63 n GLU 35 Cb 0.55 -2.10 -0.06 0.00 -0.06 0.00 0.00 31.44 29.77 2q63 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2q63 s MET 36 N 2.77 0.99 0.07 5.31 0.23 -1.26 -5.05 119.30 122.35 2q63 s MET 36 Ca 0.95 -0.10 -0.27 0.00 -1.03 0.00 0.00 55.69 55.23 2q63 s MET 36 Cb -1.04 0.45 -0.06 0.00 -1.53 0.00 0.00 34.83 32.66 2q63 s MET 36 CO 0.61 -0.33 0.86 0.45 -2.03 0.00 0.00 175.02 174.57 2q63 s SER 37 N -1.68 7.34 0.01 -1.18 0.15 -1.26 -5.04 113.70 112.05 2q63 s SER 37 Ca -0.08 1.60 0.01 0.00 0.70 0.00 0.00 55.95 58.19 2q63 s SER 37 Cb -0.01 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.77 2q63 s SER 37 CO 0.02 -0.03 -0.05 -0.76 1.20 0.00 0.00 173.24 173.63 2q63 s LEU 38 N 0.00 2.09 0.54 3.45 1.43 -1.26 -4.98 118.68 119.96 2q63 s LEU 38 Ca 0.43 -0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 53.12 2q63 s LEU 38 Cb -0.22 -0.16 -0.06 0.00 0.03 0.00 0.00 46.19 45.78 2q63 s LEU 38 CO 0.26 -0.04 1.05 -2.16 0.23 0.00 0.00 176.35 175.69 2q63 s PRO 39 N -0.57 3.53 0.00 1.29 0.04 -1.26 -4.83 135.00 133.20 2q63 s PRO 39 Ca -0.03 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.31 2q63 s PRO 39 Cb -0.04 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2q63 s PRO 39 CO -0.00 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.80 2q63 n GLY 40 N -0.59 0.12 3.87 0.56 0.00 -1.26 -4.97 105.19 102.92 2q63 n GLY 40 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2q63 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2q63 s ARG 41 N 0.63 3.75 0.37 1.61 3.52 -1.26 -5.10 118.95 122.47 2q63 s ARG 41 Ca 0.00 0.16 0.04 0.00 -0.13 0.00 0.00 55.73 55.80 2q63 s ARG 41 Cb 0.00 -2.94 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 2q63 s ARG 41 CO 0.00 0.52 0.08 1.67 -0.81 0.00 0.00 175.30 176.76 2q63 s TRP 42 N -1.48 1.88 -0.01 5.12 1.48 -1.26 -4.66 118.94 120.01 2q63 s TRP 42 Ca 0.36 -1.09 0.03 0.00 -1.06 0.00 0.00 56.10 54.34 2q63 s TRP 42 Cb -0.13 -1.25 -0.01 0.00 -1.16 0.00 0.00 33.47 30.92 2q63 s TRP 42 CO 0.19 -0.10 -0.10 0.15 -4.06 0.00 0.00 176.95 173.03 2q63 s LYS 43 N -3.82 0.79 0.50 3.25 1.02 -0.91 -4.92 119.74 115.65 2q63 s LYS 43 Ca 0.30 -0.37 -0.23 0.00 0.02 0.00 0.00 55.97 55.70 2q63 s LYS 43 Cb 0.06 -0.77 -0.06 0.00 -0.52 0.00 0.00 37.83 36.54 2q63 s LYS 43 CO 0.14 0.21 1.28 -1.25 -0.92 0.00 0.00 175.35 174.81 2q63 s PRO 44 N -0.27 3.46 -0.17 -1.68 0.04 -1.26 -0.39 135.00 134.73 2q63 s PRO 44 Ca 0.04 2.06 -0.14 0.00 0.04 0.00 0.00 61.00 62.99 2q63 s PRO 44 Cb -0.04 -2.37 0.05 0.00 0.04 0.00 0.00 34.50 32.18 2q63 s PRO 44 CO -0.00 -0.88 0.44 0.21 0.04 0.00 0.00 177.00 176.81 2q63 s LYS 45 N -2.76 0.49 -0.16 4.56 2.20 -0.47 -4.84 119.74 118.77 2q63 s LYS 45 Ca 0.67 0.67 -0.12 0.00 -0.36 0.00 0.00 55.97 56.83 2q63 s LYS 45 Cb -0.36 0.18 -0.05 0.00 -1.51 0.00 0.00 37.83 36.10 2q63 s LYS 45 CO 0.43 -0.09 0.24 -1.64 -0.36 0.00 0.00 175.35 173.93 2q63 s MET 46 N 0.55 4.13 0.01 4.03 -1.94 -1.26 0.22 119.30 125.03 2q63 s MET 46 Ca -0.03 0.00 0.07 0.00 -1.71 0.00 0.00 55.69 54.03 2q63 s MET 46 Cb -0.04 -3.39 -0.02 0.00 2.01 0.00 0.00 34.83 33.39 2q63 s MET 46 CO -0.03 0.34 -0.22 0.96 -0.01 0.00 0.00 175.02 176.05 2q63 s ILE 47 N 0.19 1.78 -0.16 2.53 -4.36 -0.69 -4.98 121.20 115.51 2q63 s ILE 47 Ca 0.14 -1.07 -0.07 0.00 -0.26 0.00 0.00 60.65 59.40 2q63 s ILE 47 Cb -0.13 -1.50 -0.04 0.00 1.25 0.00 0.00 42.46 42.05 2q63 s ILE 47 CO 0.03 0.41 0.07 -0.83 0.24 0.00 0.00 174.94 174.85 2q63 s GLY 48 N -0.78 1.95 0.00 6.27 0.00 -1.26 -1.53 107.32 111.97 2q63 s GLY 48 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.08 2q63 s GLY 48 CO 0.00 -0.09 0.00 0.61 0.00 0.00 0.00 173.10 173.62 2q63 n GLY 49 N 3.10 7.42 3.73 0.20 0.00 -0.32 -5.01 105.19 114.31 2q63 n GLY 49 Ca -0.17 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 2q63 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q63 s ILE 50 N 1.10 3.67 0.00 -0.61 1.01 -1.26 -3.58 121.20 121.54 2q63 s ILE 50 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.02 2q63 s ILE 50 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2q63 s ILE 50 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.75 2q63 n GLY 51 N 2.39 1.85 0.00 6.18 0.00 -1.26 -4.92 105.19 109.43 2q63 n GLY 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2q63 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q63 n GLY 52 N -2.00 0.42 3.34 -0.02 0.00 -1.23 -5.14 105.19 100.56 2q63 n GLY 52 Ca 0.00 -1.52 -0.28 0.00 0.00 0.00 0.00 46.02 44.22 2q63 n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2q63 s PHE 53 N -3.30 2.14 0.14 1.61 -0.71 -1.26 -1.18 117.98 115.43 2q63 s PHE 53 Ca 0.00 -0.39 0.08 0.00 -1.04 0.00 0.00 56.93 55.58 2q63 s PHE 53 Cb 0.00 -1.19 -0.04 0.00 -1.21 0.00 0.00 43.02 40.58 2q63 s PHE 53 CO 0.00 0.25 -0.19 0.96 -1.34 0.00 0.00 175.22 174.90 2q63 s ILE 54 N -1.02 1.75 -0.05 -4.49 -4.36 -0.58 -4.98 121.20 107.46 2q63 s ILE 54 Ca 0.11 -1.78 -0.21 0.00 -0.26 0.00 0.00 60.65 58.50 2q63 s ILE 54 Cb -0.10 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.84 2q63 s ILE 54 CO 0.05 -0.24 0.62 0.00 0.24 0.00 0.00 174.94 175.61 2q63 s ALA 55 N -1.77 3.41 0.28 2.27 0.00 -1.26 -1.71 121.76 122.98 2q63 s ALA 55 Ca 0.12 0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.15 2q63 s ALA 55 Cb -0.07 -2.83 -0.06 0.00 0.00 0.00 0.00 23.12 20.17 2q63 s ALA 55 CO 0.06 0.02 0.06 0.14 0.00 0.00 0.00 175.76 176.03 2q63 s VAL 56 N 0.39 0.92 -0.18 0.00 -7.23 0.13 -4.44 120.40 110.01 2q63 s VAL 56 Ca 0.33 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.46 2q63 s VAL 56 Cb -0.17 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 2q63 s VAL 56 CO 0.17 -0.07 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.72 2q63 s ARG 57 N -3.94 3.58 -0.31 4.82 0.52 0.20 -1.36 118.95 122.46 2q63 s ARG 57 Ca 0.35 -0.55 -0.17 0.00 -0.52 0.00 0.00 55.73 54.84 2q63 s ARG 57 Cb 0.08 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.58 2q63 s ARG 57 CO 0.13 0.11 0.48 -1.14 0.02 0.00 0.00 175.30 174.90 2q63 s GLN 58 N 0.71 3.81 -0.15 3.54 0.74 0.48 -0.96 119.66 127.83 2q63 s GLN 58 Ca -0.02 -0.01 -0.03 0.00 0.05 0.00 0.00 55.36 55.34 2q63 s GLN 58 Cb -0.14 -3.74 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 2q63 s GLN 58 CO 0.02 -0.49 -0.04 0.71 -0.55 0.00 0.00 175.29 174.94 2q63 s TYR 59 N 2.28 3.01 0.28 1.67 2.02 -0.69 -2.13 117.35 123.78 2q63 s TYR 59 Ca 0.18 -0.31 0.07 0.00 -0.37 0.00 0.00 57.07 56.64 2q63 s TYR 59 Cb -0.16 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 2q63 s TYR 59 CO 0.11 -0.04 0.25 -0.51 -1.57 0.00 0.00 175.55 173.80 2q63 s ASP 60 N 0.33 5.57 -1.41 2.29 1.01 -1.26 -0.72 116.67 122.48 2q63 s ASP 60 Ca -0.04 -0.28 -0.02 0.00 0.71 0.00 0.00 52.55 52.92 2q63 s ASP 60 Cb -0.14 -1.33 0.00 0.00 1.01 0.00 0.00 42.92 42.46 2q63 s ASP 60 CO 0.03 -0.14 0.39 1.67 0.21 0.00 0.00 175.17 177.33 2q63 n GLN 61 N -1.28 -2.87 -3.79 8.23 -0.06 -1.18 -4.90 117.38 111.54 2q63 n GLN 61 Ca -0.06 0.36 -0.35 0.00 -2.00 0.00 0.00 57.00 54.95 2q63 n GLN 61 Cb 0.58 -4.36 -0.08 0.00 -4.06 0.00 0.00 30.24 22.32 2q63 n GLN 61 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2q63 s ILE 62 N -3.98 5.38 0.01 1.69 -1.09 -0.33 -4.79 121.20 118.08 2q63 s ILE 62 Ca 0.03 0.17 -0.30 0.00 -2.23 0.00 0.00 60.65 58.32 2q63 s ILE 62 Cb -0.01 -3.43 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 2q63 s ILE 62 CO 0.90 0.48 0.98 -0.22 -1.23 0.00 0.00 174.94 175.86 2q63 s LEU 63 N 0.04 4.38 -0.00 2.97 2.96 -1.26 -1.96 118.68 125.80 2q63 s LEU 63 Ca 0.09 1.68 0.03 0.00 -0.22 0.00 0.00 54.13 55.71 2q63 s LEU 63 Cb -0.11 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 2q63 s LEU 63 CO -0.00 -0.25 -0.09 -0.51 -1.32 0.00 0.00 176.35 174.18 2q63 s ILE 64 N 0.91 0.73 -0.30 6.68 2.07 0.38 -4.40 121.20 127.28 2q63 s ILE 64 Ca 0.52 -0.42 -0.02 0.00 -1.41 0.00 0.00 60.65 59.31 2q63 s ILE 64 Cb -0.21 -0.62 0.05 0.00 0.13 0.00 0.00 42.46 41.81 2q63 s ILE 64 CO 0.28 0.19 0.01 -0.70 -1.91 0.00 0.00 174.94 172.81 2q63 s GLU 65 N -0.27 2.48 -0.28 3.50 2.12 0.58 -0.92 118.70 125.92 2q63 s GLU 65 Ca 0.03 -1.23 -0.06 0.00 0.36 0.00 0.00 54.97 54.07 2q63 s GLU 65 Cb -0.04 -3.21 0.01 0.00 0.26 0.00 0.00 34.13 31.16 2q63 s GLU 65 CO -0.00 -0.61 0.05 0.42 -0.54 0.00 0.00 175.26 174.58 2q63 s ILE 66 N 1.28 3.76 -1.60 -3.70 1.01 0.44 -0.29 121.20 122.10 2q63 s ILE 66 Ca -0.05 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 2q63 s ILE 66 Cb -0.20 -2.92 0.07 0.00 0.01 0.00 0.00 42.46 39.43 2q63 s ILE 66 CO -0.01 0.12 0.38 0.00 0.00 0.00 0.00 174.94 175.43 2q63 n GLY 68 N -1.92 0.47 3.41 0.00 0.00 -1.26 -5.01 105.19 100.88 2q63 n GLY 68 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 2q63 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q63 s HIS 69 N -2.09 2.97 0.23 1.61 4.02 -0.01 -5.10 115.29 116.92 2q63 s HIS 69 Ca 0.00 -0.56 -0.25 0.00 1.02 0.00 0.00 55.06 55.26 2q63 s HIS 69 Cb 0.00 -2.01 -0.09 0.00 -1.02 0.00 0.00 32.58 29.47 2q63 s HIS 69 CO 0.00 -0.25 0.84 0.15 1.02 0.00 0.00 174.74 176.50 2q63 s LYS 70 N 0.80 4.58 -0.02 1.40 1.02 -1.26 -0.42 119.74 125.83 2q63 s LYS 70 Ca -0.02 1.22 -0.11 0.00 0.02 0.00 0.00 55.97 57.09 2q63 s LYS 70 Cb -0.15 -3.09 0.01 0.00 -0.52 0.00 0.00 37.83 34.08 2q63 s LYS 70 CO 0.02 0.46 0.23 0.00 -0.92 0.00 0.00 175.35 175.14 2q63 s ALA 71 N -1.33 -0.57 -0.10 5.17 0.00 -0.10 -4.86 121.76 119.98 2q63 s ALA 71 Ca 0.41 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.63 2q63 s ALA 71 Cb -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2q63 s ALA 71 CO 0.26 -0.21 -0.23 0.42 0.00 0.00 0.00 175.76 176.00 2q63 s ILE 72 N -1.06 1.99 0.08 0.00 1.01 -1.26 -0.47 121.20 121.50 2q63 s ILE 72 Ca -0.11 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.43 2q63 s ILE 72 Cb -0.05 -1.73 0.05 0.00 0.01 0.00 0.00 42.46 40.73 2q63 s ILE 72 CO 0.02 0.55 0.62 0.61 0.00 0.00 0.00 174.94 176.74 2q63 n GLY 73 N 3.55 0.80 3.70 6.18 0.00 -0.83 -4.85 105.19 113.74 2q63 n GLY 73 Ca -0.19 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 2q63 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q63 s THR 74 N -2.24 4.27 -0.12 2.61 2.01 -1.26 -1.19 115.64 119.73 2q63 s THR 74 Ca 0.14 1.62 0.02 0.00 0.31 0.00 0.00 61.69 63.77 2q63 s THR 74 Cb -0.01 -4.04 0.01 0.00 0.01 0.00 0.00 72.50 68.47 2q63 s THR 74 CO 0.02 0.09 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.19 2q63 s VAL 75 N 1.40 1.62 -0.04 3.82 1.01 0.10 -4.45 120.40 123.87 2q63 s VAL 75 Ca 0.56 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.68 2q63 s VAL 75 Cb -0.26 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 2q63 s VAL 75 CO 0.27 0.47 0.39 -0.76 0.00 0.00 0.00 175.10 175.47 2q63 s LEU 76 N 0.98 4.42 -0.15 3.92 1.43 0.10 -1.71 118.68 127.67 2q63 s LEU 76 Ca -0.06 0.87 0.02 0.00 -1.03 0.00 0.00 54.13 53.93 2q63 s LEU 76 Cb -0.15 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.53 2q63 s LEU 76 CO -0.02 0.25 -0.20 -0.69 0.23 0.00 0.00 176.35 175.92 2q63 s VAL 77 N -0.64 1.98 -0.11 -1.59 1.01 -0.13 -0.34 120.40 120.57 2q63 s VAL 77 Ca 0.23 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2q63 s VAL 77 Cb -0.16 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2q63 s VAL 77 CO 0.11 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.36 2q63 n GLY 78 N 4.25 -1.08 2.35 4.51 0.00 -0.44 -0.63 105.19 114.15 2q63 n GLY 78 Ca -0.20 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 2q63 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q63 n PRO 79 N 0.00 3.68 -3.19 1.61 -0.04 -1.26 -3.63 135.00 132.17 2q63 n PRO 79 Ca 0.00 -2.29 -0.38 0.00 -0.04 0.00 0.00 63.50 60.80 2q63 n PRO 79 Cb 0.00 -2.83 -0.06 0.00 -0.04 0.00 0.00 33.50 30.57 2q63 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2q63 s THR 80 N 2.11 4.64 -0.93 0.52 -1.32 -1.26 -4.99 115.64 114.41 2q63 s THR 80 Ca 0.68 1.26 0.28 0.00 -1.21 0.00 0.00 61.69 62.69 2q63 s THR 80 Cb 0.18 -3.90 0.25 0.00 -1.51 0.00 0.00 72.50 67.51 2q63 s THR 80 CO -0.06 0.40 1.88 -0.81 -2.21 0.00 0.00 174.62 173.82 2q63 n PRO 81 N 1.27 0.06 -3.87 7.08 -0.04 -1.26 -4.50 135.00 133.74 2q63 n PRO 81 Ca -0.06 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.32 2q63 n PRO 81 Cb 0.51 -1.57 -0.15 0.00 -0.04 0.00 0.00 33.50 32.25 2q63 n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2q63 s VAL 82 N -3.03 0.02 0.10 0.52 1.01 -1.26 -5.07 120.40 112.70 2q63 s VAL 82 Ca 0.13 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 2q63 s VAL 82 Cb 0.17 -0.06 -0.08 0.00 0.00 0.00 0.00 36.38 36.41 2q63 s VAL 82 CO 0.54 0.03 1.52 0.20 0.00 0.00 0.00 175.10 177.39 2q63 s ASN 83 N 0.28 6.69 -0.18 3.32 0.01 -1.26 -4.73 114.94 119.08 2q63 s ASN 83 Ca -0.02 2.43 0.00 0.00 -0.71 0.00 0.00 52.86 54.56 2q63 s ASN 83 Cb -0.04 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.06 2q63 s ASN 83 CO -0.01 -0.78 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.00 2q63 s ILE 84 N 1.71 2.32 -0.36 0.60 -1.09 0.75 -0.66 121.20 124.46 2q63 s ILE 84 Ca 0.69 -0.86 -0.17 0.00 -2.23 0.00 0.00 60.65 58.08 2q63 s ILE 84 Cb -0.39 -1.99 -0.00 0.00 -1.58 0.00 0.00 42.46 38.50 2q63 s ILE 84 CO 0.31 0.52 0.44 -0.63 -1.23 0.00 0.00 174.94 174.34 2q63 s ILE 85 N 1.28 5.09 0.17 2.92 -1.09 0.12 -0.52 121.20 129.17 2q63 s ILE 85 Ca 0.04 0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.56 2q63 s ILE 85 Cb -0.13 -3.93 0.03 0.00 -1.58 0.00 0.00 42.46 36.85 2q63 s ILE 85 CO -0.10 -0.22 0.24 0.61 -1.23 0.00 0.00 174.94 174.24 2q63 n GLY 86 N 4.93 1.45 0.23 6.18 0.00 -1.19 -1.33 105.19 115.46 2q63 n GLY 86 Ca -0.07 -2.08 0.01 0.00 0.00 0.00 0.00 46.02 43.88 2q63 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2q63 h ARG 87 N 0.00 0.24 -0.84 1.61 3.08 -1.11 -1.94 114.38 115.43 2q63 h ARG 87 Ca -0.08 -0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.00 2q63 h ARG 87 Cb 0.34 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 2q63 h ARG 87 CO 0.10 0.43 0.55 -2.95 -1.07 0.00 0.00 179.97 177.03 2q63 h ASN 88 N 0.23 0.71 0.27 7.04 -1.07 -1.81 -1.66 115.58 119.29 2q63 h ASN 88 Ca 0.04 0.02 -0.34 0.00 0.07 0.00 0.00 56.30 56.10 2q63 h ASN 88 Cb 0.47 -0.13 -0.03 0.00 -2.07 0.00 0.00 38.32 36.56 2q63 h ASN 88 CO 0.03 0.42 -1.86 -0.07 0.07 0.00 0.00 177.43 176.02 2q63 h LEU 89 N 0.79 0.28 -1.10 6.14 3.38 -1.83 -3.39 115.31 119.59 2q63 h LEU 89 Ca 0.39 -0.61 0.05 0.00 0.09 0.00 0.00 57.88 57.80 2q63 h LEU 89 Cb 0.45 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 2q63 h LEU 89 CO -0.16 1.55 0.61 0.24 0.09 0.00 0.00 178.44 180.77 2q63 h MET 90 N 0.05 1.09 -0.41 1.13 2.86 -1.06 -1.36 114.93 117.23 2q63 h MET 90 Ca -0.36 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.20 2q63 h MET 90 Cb 2.03 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 33.42 2q63 h MET 90 CO 0.09 0.72 0.23 1.79 1.06 0.00 0.00 176.91 180.81 2q63 h THR 91 N 1.13 1.13 0.00 2.22 1.35 -1.50 -2.13 112.91 115.10 2q63 h THR 91 Ca 0.39 -0.32 -0.03 0.00 -0.55 0.00 0.00 66.41 65.90 2q63 h THR 91 Cb 0.10 0.57 -0.00 0.00 -1.73 0.00 0.00 68.15 67.08 2q63 h THR 91 CO -0.13 0.14 -0.16 1.56 -0.25 0.00 0.00 175.52 176.68 2q63 h GLN 92 N 0.57 0.00 -0.61 4.72 1.08 -1.43 -2.73 115.11 116.71 2q63 h GLN 92 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2q63 h GLN 92 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2q63 h GLN 92 CO -0.03 0.16 0.00 0.44 -0.95 0.00 0.00 178.83 178.45 2q63 n ILE 93 N -3.35 1.56 -2.85 2.54 -5.35 -0.97 -4.94 119.36 105.99 2q63 n ILE 93 Ca -0.00 -1.17 -0.15 0.00 -0.27 0.00 0.00 62.75 61.16 2q63 n ILE 93 Cb 0.37 0.24 0.03 0.00 -1.74 0.00 0.00 39.64 38.54 2q63 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2q63 n GLY 94 N 1.06 -0.09 3.66 3.28 0.00 -1.03 -4.98 105.19 107.09 2q63 n GLY 94 Ca 0.23 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2q63 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q63 s THR 96 N 1.99 2.61 -0.05 0.00 -4.23 -1.26 -4.69 115.64 110.01 2q63 s THR 96 Ca 0.28 -2.08 -0.13 0.00 -1.18 0.00 0.00 61.69 58.58 2q63 s THR 96 Cb -0.16 -2.31 -0.05 0.00 1.34 0.00 0.00 72.50 71.32 2q63 s THR 96 CO 0.10 -0.22 0.35 -0.76 -0.54 0.00 0.00 174.62 173.55 2q63 s LEU 97 N -3.04 4.42 0.01 4.79 1.43 -1.26 -5.08 118.68 119.96 2q63 s LEU 97 Ca 0.25 0.82 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 2q63 s LEU 97 Cb -0.07 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 2q63 s LEU 97 CO 0.13 0.30 -0.03 0.20 0.23 0.00 0.00 176.35 177.18 2q63 s ASN 98 N -0.79 0.32 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.35 2q63 s ASN 98 Ca 0.21 -0.18 0.00 0.00 -1.57 0.00 0.00 52.86 51.33 2q63 s ASN 98 Cb -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 41.25 41.08 2q63 s ASN 98 CO 0.10 -0.06 0.00 2.22 -2.57 0.00 0.00 177.10 176.80