#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3t s GLN 2 N 0.00 3.99 -0.13 0.54 0.00 -1.26 -5.09 119.66 117.71 3d3t s GLN 2 Ca 0.00 0.66 -0.07 0.00 -0.00 0.00 0.00 55.36 55.95 3d3t s GLN 2 Cb 0.00 -2.42 0.05 0.00 0.00 0.00 0.00 33.01 30.64 3d3t s GLN 2 CO 0.00 0.14 0.30 0.96 0.00 0.00 0.00 175.29 176.69 3d3t s ILE 3 N -2.02 -0.03 0.84 3.63 -4.36 -1.26 -5.16 121.20 112.84 3d3t s ILE 3 Ca 0.54 0.11 -0.12 0.00 -0.26 0.00 0.00 60.65 60.92 3d3t s ILE 3 Cb -0.10 -0.46 0.09 0.00 1.25 0.00 0.00 42.46 43.24 3d3t s ILE 3 CO 0.18 0.04 1.12 0.42 0.24 0.00 0.00 174.94 176.94 3d3t s THR 4 N 1.14 2.63 -0.31 8.37 -4.23 -1.26 -4.99 115.64 116.99 3d3t s THR 4 Ca -0.08 0.21 0.08 0.00 -1.18 0.00 0.00 61.69 60.71 3d3t s THR 4 Cb -0.09 -2.98 0.50 0.00 1.34 0.00 0.00 72.50 71.27 3d3t s THR 4 CO -0.09 -0.27 1.47 0.18 -0.54 0.00 0.00 174.62 175.37 3d3t n LEU 5 N -3.53 4.41 0.16 4.79 4.77 -1.26 -4.53 117.00 121.81 3d3t n LEU 5 Ca 0.07 -3.93 0.05 0.00 -0.03 0.00 0.00 56.01 52.17 3d3t n LEU 5 Cb 0.58 -0.63 0.08 0.00 -2.33 0.00 0.00 43.42 41.12 3d3t n LEU 5 CO 0.57 1.38 0.56 -0.50 -1.33 0.00 0.00 177.39 178.07 3d3t h TRP 6 N 1.18 0.00 -3.40 -1.77 6.55 -2.07 -3.45 115.95 112.99 3d3t h TRP 6 Ca 0.26 0.00 -0.49 0.00 0.95 0.00 0.00 58.89 59.61 3d3t h TRP 6 Cb 1.60 0.00 -0.18 0.00 -0.86 0.00 0.00 29.16 29.72 3d3t h TRP 6 CO 1.05 0.38 -0.78 -0.65 -1.05 0.00 0.00 178.44 177.40 3d3t s GLN 7 N -3.05 1.19 0.03 0.49 -1.52 -1.26 -5.10 119.66 110.45 3d3t s GLN 7 Ca 0.04 -1.35 -0.38 0.00 -1.95 0.00 0.00 55.36 51.72 3d3t s GLN 7 Cb 0.07 -1.20 -0.17 0.00 -0.22 0.00 0.00 33.01 31.49 3d3t s GLN 7 CO 0.72 0.24 1.34 0.54 -0.25 0.00 0.00 175.29 177.88 3d3t n ARG 8 N 0.37 0.95 -1.67 2.91 1.74 -1.26 -4.78 116.66 114.92 3d3t n ARG 8 Ca -0.14 0.34 -0.41 0.00 -0.77 0.00 0.00 57.85 56.88 3d3t n ARG 8 Cb 0.57 -1.96 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 3d3t n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3d3t n PRO 9 N 2.63 2.18 -3.11 5.56 -0.04 -1.26 -4.95 135.00 136.02 3d3t n PRO 9 Ca 0.20 -2.37 -0.39 0.00 -0.04 0.00 0.00 63.50 60.89 3d3t n PRO 9 Cb 0.16 -3.24 -0.06 0.00 -0.04 0.00 0.00 33.50 30.33 3d3t n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3d3t s LEU 10 N 3.38 4.49 0.24 1.53 1.43 -1.26 -1.14 118.68 127.35 3d3t s LEU 10 Ca 0.55 1.37 0.06 0.00 -1.03 0.00 0.00 54.13 55.08 3d3t s LEU 10 Cb 0.11 -3.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 3d3t s LEU 10 CO 0.05 0.14 -0.07 0.68 0.23 0.00 0.00 176.35 177.38 3d3t s VAL 11 N -0.55 1.46 -0.23 -1.59 -7.23 -0.30 -4.96 120.40 107.00 3d3t s VAL 11 Ca 0.34 -2.11 -0.16 0.00 -1.81 0.00 0.00 61.98 58.23 3d3t s VAL 11 Cb -0.20 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 3d3t s VAL 11 CO 0.21 -0.42 0.41 -0.89 -0.31 0.00 0.00 175.10 174.10 3d3t s THR 12 N -3.14 5.17 -0.03 5.32 2.01 -1.26 -1.68 115.64 122.03 3d3t s THR 12 Ca 0.26 0.69 0.04 0.00 0.31 0.00 0.00 61.69 63.00 3d3t s THR 12 Cb 0.03 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 3d3t s THR 12 CO 0.09 0.20 -0.14 0.27 -0.69 0.00 0.00 174.62 174.35 3d3t s ILE 13 N 1.69 3.11 -0.26 1.82 -4.36 -0.16 -1.58 121.20 121.46 3d3t s ILE 13 Ca 0.18 -0.81 -0.06 0.00 -0.26 0.00 0.00 60.65 59.71 3d3t s ILE 13 Cb -0.15 -2.26 -0.00 0.00 1.25 0.00 0.00 42.46 41.30 3d3t s ILE 13 CO 0.09 0.52 0.03 -0.75 0.24 0.00 0.00 174.94 175.07 3d3t s LYS 14 N -0.96 3.27 -0.14 0.37 2.20 1.00 -1.18 119.74 124.29 3d3t s LYS 14 Ca 0.13 -0.72 -0.03 0.00 -0.36 0.00 0.00 55.97 54.98 3d3t s LYS 14 Cb -0.11 -3.23 0.05 0.00 -1.51 0.00 0.00 37.83 33.03 3d3t s LYS 14 CO 0.02 -0.32 0.06 -1.50 -0.36 0.00 0.00 175.35 173.25 3d3t s ILE 15 N 1.50 0.11 -1.24 5.43 2.07 -0.09 -1.10 121.20 127.89 3d3t s ILE 15 Ca 0.04 -0.10 -0.03 0.00 -1.41 0.00 0.00 60.65 59.15 3d3t s ILE 15 Cb -0.16 -0.59 0.00 0.00 0.13 0.00 0.00 42.46 41.84 3d3t s ILE 15 CO 0.01 -0.11 1.05 0.61 -1.91 0.00 0.00 174.94 174.59 3d3t n GLY 16 N 5.21 -0.41 3.64 1.50 0.00 -1.26 -2.08 105.19 111.79 3d3t n GLY 16 Ca -0.07 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3d3t n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d3t n GLY 17 N -1.42 0.85 3.74 -0.02 0.00 -1.26 -4.99 105.19 102.09 3d3t n GLY 17 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 3d3t n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d3t s GLN 18 N -0.33 3.43 -0.21 1.61 -0.21 -0.88 -5.09 119.66 117.99 3d3t s GLN 18 Ca 0.00 -0.29 -0.12 0.00 0.02 0.00 0.00 55.36 54.97 3d3t s GLN 18 Cb 0.00 -3.05 -0.05 0.00 1.00 0.00 0.00 33.01 30.91 3d3t s GLN 18 CO 0.00 0.61 0.23 -0.51 -2.12 0.00 0.00 175.29 173.50 3d3t s LEU 19 N -0.57 4.17 0.16 2.90 1.02 -1.26 -0.91 118.68 124.19 3d3t s LEU 19 Ca 0.11 0.30 -0.03 0.00 0.02 0.00 0.00 54.13 54.53 3d3t s LEU 19 Cb -0.12 -2.24 -0.03 0.00 0.02 0.00 0.00 46.19 43.82 3d3t s LEU 19 CO 0.02 0.06 0.13 -0.13 0.02 0.00 0.00 176.35 176.46 3d3t s ARG 20 N 0.86 1.07 0.01 1.70 1.81 -0.33 -5.01 118.95 119.06 3d3t s ARG 20 Ca 0.12 -1.44 0.03 0.00 -1.72 0.00 0.00 55.73 52.72 3d3t s ARG 20 Cb -0.13 0.28 -0.03 0.00 -0.45 0.00 0.00 34.95 34.62 3d3t s ARG 20 CO 0.04 -0.34 -0.05 -1.21 -0.68 0.00 0.00 175.30 173.06 3d3t s GLU 21 N -4.06 2.60 0.04 3.54 2.02 -1.26 -0.99 118.70 120.58 3d3t s GLU 21 Ca 0.27 -0.70 -0.08 0.00 0.02 0.00 0.00 54.97 54.48 3d3t s GLU 21 Cb 0.06 -2.54 -0.00 0.00 0.10 0.00 0.00 34.13 31.75 3d3t s GLU 21 CO 0.05 0.60 0.15 0.00 0.02 0.00 0.00 175.26 176.08 3d3t s ALA 22 N -1.03 -0.23 -0.18 5.21 0.00 -0.68 -4.54 121.76 120.31 3d3t s ALA 22 Ca 0.18 -0.39 -0.19 0.00 0.00 0.00 0.00 51.96 51.56 3d3t s ALA 22 Cb -0.11 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 3d3t s ALA 22 CO 0.09 -0.33 0.53 -1.17 0.00 0.00 0.00 175.76 174.88 3d3t s LEU 23 N -2.05 4.17 -0.37 0.00 2.96 0.10 -1.15 118.68 122.35 3d3t s LEU 23 Ca -0.06 0.73 -0.28 0.00 -0.22 0.00 0.00 54.13 54.30 3d3t s LEU 23 Cb -0.02 -2.74 -0.01 0.00 0.50 0.00 0.00 46.19 43.92 3d3t s LEU 23 CO -0.04 -0.16 1.69 -0.76 -1.32 0.00 0.00 176.35 175.76 3d3t s LEU 24 N 1.49 3.51 -0.43 -0.68 1.43 -0.29 -0.23 118.68 123.48 3d3t s LEU 24 Ca 0.25 1.10 0.03 0.00 -1.03 0.00 0.00 54.13 54.49 3d3t s LEU 24 Cb -0.15 -3.46 0.12 0.00 0.03 0.00 0.00 46.19 42.73 3d3t s LEU 24 CO 0.10 -1.67 0.17 0.21 0.23 0.00 0.00 176.35 175.40 3d3t s ASN 25 N 5.57 4.30 0.38 2.29 3.84 -0.44 -4.82 114.94 126.07 3d3t s ASN 25 Ca 0.73 -2.53 0.28 0.00 0.21 0.00 0.00 52.86 51.55 3d3t s ASN 25 Cb -0.19 -1.44 1.24 0.00 -0.55 0.00 0.00 41.25 40.30 3d3t s ASN 25 CO 0.33 -0.30 1.83 0.71 -2.79 0.00 0.00 177.10 176.88 3d3t h THR 26 N 5.90 0.00 -0.20 -5.21 1.35 -1.92 -2.74 112.91 110.09 3d3t h THR 26 Ca -0.06 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3d3t h THR 26 Cb 0.95 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3d3t h THR 26 CO 0.58 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 3d3t n GLY 27 N -0.26 1.63 2.97 5.82 0.00 -1.26 -4.84 105.19 109.25 3d3t n GLY 27 Ca 0.01 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 3d3t n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3t s ALA 28 N -1.60 0.84 0.10 4.61 0.00 -1.03 -5.03 121.76 119.66 3d3t s ALA 28 Ca 0.18 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 3d3t s ALA 28 Cb 0.13 -0.37 -0.15 0.00 0.00 0.00 0.00 23.12 22.73 3d3t s ALA 28 CO 0.06 0.10 1.29 -0.44 0.00 0.00 0.00 175.76 176.77 3d3t h ASP 29 N 6.66 0.87 -1.59 0.00 3.32 -1.88 -0.66 116.42 123.14 3d3t h ASP 29 Ca -0.34 -0.61 -0.62 0.00 0.02 0.00 0.00 57.03 55.47 3d3t h ASP 29 Cb 1.17 -0.26 -0.12 0.00 0.22 0.00 0.00 39.33 40.34 3d3t h ASP 29 CO 0.48 1.41 -0.58 -1.81 -1.72 0.00 0.00 179.24 177.02 3d3t s ASP 30 N -7.15 3.99 -0.25 6.45 1.01 -1.26 -2.69 116.67 116.76 3d3t s ASP 30 Ca -0.09 -1.33 -0.10 0.00 0.71 0.00 0.00 52.55 51.74 3d3t s ASP 30 Cb 0.08 -0.37 -0.04 0.00 1.01 0.00 0.00 42.92 43.60 3d3t s ASP 30 CO 0.90 -0.49 0.14 -0.89 0.21 0.00 0.00 175.17 175.05 3d3t s THR 31 N -2.70 5.05 -0.09 -1.27 2.01 -1.26 -2.67 115.64 114.72 3d3t s THR 31 Ca 0.35 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.45 3d3t s THR 31 Cb 0.09 -3.37 0.01 0.00 0.01 0.00 0.00 72.50 69.24 3d3t s THR 31 CO 0.18 0.31 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.59 3d3t s VAL 32 N 1.43 1.35 0.02 3.82 1.01 -0.55 -0.03 120.40 127.44 3d3t s VAL 32 Ca 0.07 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3d3t s VAL 32 Cb -0.15 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3d3t s VAL 32 CO 0.07 0.41 -0.15 -0.76 0.00 0.00 0.00 175.10 174.66 3d3t s LEU 33 N 0.81 2.13 -0.16 3.92 1.43 0.78 -0.84 118.68 126.74 3d3t s LEU 33 Ca -0.11 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.45 3d3t s LEU 33 Cb -0.16 -0.70 -0.07 0.00 0.03 0.00 0.00 46.19 45.30 3d3t s LEU 33 CO 0.02 0.09 -0.28 -1.84 0.23 0.00 0.00 176.35 174.57 3d3t n GLU 34 N 2.14 0.44 -0.06 1.70 0.28 -1.26 -2.06 120.64 121.82 3d3t n GLU 34 Ca -0.17 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 3d3t n GLU 34 Cb 0.55 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 32.15 3d3t n GLU 34 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3d3t n ASP 35 N -4.15 3.16 -4.36 -1.84 5.68 -1.26 -4.73 116.55 109.04 3d3t n ASP 35 Ca -0.25 -1.96 -0.23 0.00 -0.50 0.00 0.00 54.79 51.85 3d3t n ASP 35 Cb 0.58 -0.56 -0.11 0.00 -1.14 0.00 0.00 41.12 39.89 3d3t n ASP 35 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3d3t s ILE 36 N 0.06 1.98 -0.30 2.12 1.01 -1.26 -5.11 121.20 119.69 3d3t s ILE 36 Ca 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 60.65 58.64 3d3t s ILE 36 Cb 0.00 -1.95 0.10 0.00 0.01 0.00 0.00 42.46 40.61 3d3t s ILE 36 CO 0.00 -0.30 0.09 0.54 0.00 0.00 0.00 174.94 175.27 3d3t s ASN 37 N -2.78 3.99 0.02 3.58 4.22 -1.26 -5.02 114.94 117.69 3d3t s ASN 37 Ca 0.18 -1.60 -0.03 0.00 -2.14 0.00 0.00 52.86 49.28 3d3t s ASN 37 Cb -0.06 -0.89 -0.04 0.00 1.28 0.00 0.00 41.25 41.54 3d3t s ASN 37 CO 0.08 -0.40 0.21 -0.76 -2.04 0.00 0.00 177.10 174.19 3d3t s LEU 38 N 1.59 4.36 0.49 3.54 1.43 -1.26 -5.02 118.68 123.81 3d3t s LEU 38 Ca 0.09 0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.53 3d3t s LEU 38 Cb -0.17 -2.75 -0.00 0.00 0.03 0.00 0.00 46.19 43.29 3d3t s LEU 38 CO -0.23 0.23 0.75 -2.16 0.23 0.00 0.00 176.35 175.17 3d3t s PRO 39 N -2.10 3.10 0.28 1.29 0.04 -1.26 -5.04 135.00 131.30 3d3t s PRO 39 Ca 0.30 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.09 3d3t s PRO 39 Cb -0.13 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.96 3d3t s PRO 39 CO 0.21 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.29 3d3t n GLY 40 N -2.24 -2.00 3.80 0.56 0.00 -1.26 -5.00 105.19 99.05 3d3t n GLY 40 Ca 0.02 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 3d3t n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d3t s LYS 41 N -0.10 3.66 0.09 1.61 0.00 -1.26 -5.08 119.74 118.66 3d3t s LYS 41 Ca 0.00 1.34 -0.19 0.00 0.00 0.00 0.00 55.97 57.12 3d3t s LYS 41 Cb 0.00 -2.07 0.04 0.00 0.00 0.00 0.00 37.83 35.80 3d3t s LYS 41 CO 0.00 -0.55 0.46 1.67 0.00 0.00 0.00 175.35 176.94 3d3t s TRP 42 N -2.08 -0.32 -0.09 1.78 1.48 -1.26 -4.75 118.94 113.69 3d3t s TRP 42 Ca 0.67 0.19 0.00 0.00 -1.06 0.00 0.00 56.10 55.90 3d3t s TRP 42 Cb -0.17 0.31 -0.03 0.00 -1.16 0.00 0.00 33.47 32.43 3d3t s TRP 42 CO 0.24 -0.67 -0.09 0.15 -4.06 0.00 0.00 176.95 172.52 3d3t s LYS 43 N -3.09 2.98 0.50 3.25 -0.14 -0.91 -4.91 119.74 117.42 3d3t s LYS 43 Ca -0.02 -0.60 -0.22 0.00 -1.36 0.00 0.00 55.97 53.77 3d3t s LYS 43 Cb 0.00 -2.62 -0.06 0.00 -1.68 0.00 0.00 37.83 33.47 3d3t s LYS 43 CO -0.07 0.50 1.25 -2.14 -0.76 0.00 0.00 175.35 174.13 3d3t s PRO 44 N -0.37 3.49 0.02 -1.68 0.02 -1.26 -1.34 135.00 133.88 3d3t s PRO 44 Ca 0.05 1.97 -0.12 0.00 0.02 0.00 0.00 61.00 62.92 3d3t s PRO 44 Cb -0.12 -2.34 0.01 0.00 0.02 0.00 0.00 34.50 32.07 3d3t s PRO 44 CO 0.02 -0.82 0.24 0.15 -0.33 0.00 0.00 177.00 176.26 3d3t s LYS 45 N -2.79 0.68 -0.17 5.54 1.02 -0.94 -4.85 119.74 118.23 3d3t s LYS 45 Ca 0.67 -0.44 -0.04 0.00 0.02 0.00 0.00 55.97 56.18 3d3t s LYS 45 Cb -0.34 0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 37.24 3d3t s LYS 45 CO 0.40 -0.20 -0.03 -1.64 -0.92 0.00 0.00 175.35 172.97 3d3t s MET 46 N -2.03 3.67 0.18 1.68 -1.94 -1.26 -1.18 119.30 118.43 3d3t s MET 46 Ca -0.09 -0.51 0.10 0.00 -1.71 0.00 0.00 55.69 53.47 3d3t s MET 46 Cb -0.03 -2.96 -0.04 0.00 2.01 0.00 0.00 34.83 33.81 3d3t s MET 46 CO -0.01 0.20 -0.20 0.96 -0.01 0.00 0.00 175.02 175.96 3d3t s ILE 47 N 0.49 2.01 0.18 2.53 -4.36 -0.18 -4.99 121.20 116.87 3d3t s ILE 47 Ca -0.03 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.42 3d3t s ILE 47 Cb -0.14 -1.96 -0.05 0.00 1.25 0.00 0.00 42.46 41.56 3d3t s ILE 47 CO 0.03 -0.28 -0.11 -0.83 0.24 0.00 0.00 174.94 173.99 3d3t s GLY 48 N -2.75 1.24 0.00 6.27 0.00 -1.26 -0.27 107.32 110.55 3d3t s GLY 48 Ca 0.18 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.32 3d3t s GLY 48 CO 0.08 -1.66 0.00 0.61 0.00 0.00 0.00 173.10 172.13 3d3t n GLY 49 N -0.29 4.73 0.36 0.20 0.00 0.35 -4.97 105.19 105.57 3d3t n GLY 49 Ca -0.09 -1.13 0.04 0.00 0.00 0.00 0.00 46.02 44.83 3d3t n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3d3t h ILE 50 N 0.00 1.08 -0.54 -0.61 2.10 -2.01 -2.34 117.51 115.19 3d3t h ILE 50 Ca 0.00 -0.35 -0.09 0.00 1.08 0.00 0.00 64.86 65.50 3d3t h ILE 50 Cb 0.00 -0.03 -0.06 0.00 -1.09 0.00 0.00 36.82 35.65 3d3t h ILE 50 CO 0.00 0.19 0.09 0.61 -1.08 0.00 0.00 178.15 177.96 3d3t n GLY 51 N -1.40 3.67 0.00 8.18 0.00 -1.26 -5.07 105.19 109.31 3d3t n GLY 51 Ca 0.13 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3d3t n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d3t n GLY 52 N -0.10 0.50 3.15 -0.02 0.00 -0.88 -5.05 105.19 102.79 3d3t n GLY 52 Ca 0.31 -1.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.37 3d3t n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d3t s PHE 53 N 0.00 1.54 0.04 1.61 0.40 -1.26 0.13 117.98 120.43 3d3t s PHE 53 Ca 0.00 -0.33 0.05 0.00 -0.60 0.00 0.00 56.93 56.05 3d3t s PHE 53 Cb 0.00 -1.00 -0.02 0.00 0.51 0.00 0.00 43.02 42.51 3d3t s PHE 53 CO 0.00 -0.06 -0.15 0.96 0.70 0.00 0.00 175.22 176.67 3d3t s ILE 54 N -0.28 1.16 0.05 0.64 -4.36 0.62 -4.99 121.20 114.05 3d3t s ILE 54 Ca 0.04 -1.01 -0.27 0.00 -0.26 0.00 0.00 60.65 59.15 3d3t s ILE 54 Cb -0.08 -1.05 -0.05 0.00 1.25 0.00 0.00 42.46 42.53 3d3t s ILE 54 CO 0.00 0.03 0.84 -1.59 0.24 0.00 0.00 174.94 174.46 3d3t s LYS 55 N -1.13 4.56 0.20 0.37 0.00 -1.26 -1.01 119.74 121.47 3d3t s LYS 55 Ca 0.02 1.21 0.03 0.00 0.00 0.00 0.00 55.97 57.23 3d3t s LYS 55 Cb -0.08 -3.39 -0.05 0.00 0.00 0.00 0.00 37.83 34.32 3d3t s LYS 55 CO 0.01 0.20 -0.01 0.14 0.00 0.00 0.00 175.35 175.70 3d3t s VAL 56 N 0.16 0.89 -0.26 1.79 -7.23 -0.32 -4.54 120.40 110.90 3d3t s VAL 56 Ca 0.43 -2.01 -0.20 0.00 -1.81 0.00 0.00 61.98 58.38 3d3t s VAL 56 Cb -0.21 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 3d3t s VAL 56 CO 0.25 -0.42 0.62 -0.13 -0.31 0.00 0.00 175.10 175.12 3d3t s ARG 57 N -3.88 4.10 -0.49 4.82 0.52 -0.05 -2.22 118.95 121.76 3d3t s ARG 57 Ca 0.26 0.52 -0.22 0.00 -0.52 0.00 0.00 55.73 55.77 3d3t s ARG 57 Cb 0.06 -3.65 0.04 0.00 0.52 0.00 0.00 34.95 31.91 3d3t s ARG 57 CO 0.06 -0.42 0.78 -1.14 0.02 0.00 0.00 175.30 174.61 3d3t s GLN 58 N 2.50 3.32 -0.16 3.54 0.74 -0.45 -1.46 119.66 127.69 3d3t s GLN 58 Ca 0.26 -0.31 -0.12 0.00 0.05 0.00 0.00 55.36 55.23 3d3t s GLN 58 Cb -0.15 -4.00 -0.05 0.00 1.10 0.00 0.00 33.01 29.91 3d3t s GLN 58 CO 0.09 -1.22 0.24 0.71 -0.55 0.00 0.00 175.29 174.56 3d3t s TYR 59 N 3.30 3.48 0.38 1.67 1.51 -0.83 -2.15 117.35 124.70 3d3t s TYR 59 Ca 0.27 0.55 0.02 0.00 -1.01 0.00 0.00 57.07 56.89 3d3t s TYR 59 Cb -0.14 -2.25 -0.02 0.00 -0.11 0.00 0.00 41.96 39.44 3d3t s TYR 59 CO 0.19 0.32 0.57 -0.51 -1.11 0.00 0.00 175.55 175.02 3d3t s ASP 60 N 0.20 6.07 -1.32 2.29 1.01 -1.26 -1.68 116.67 121.98 3d3t s ASP 60 Ca 0.15 0.26 -0.21 0.00 0.71 0.00 0.00 52.55 53.45 3d3t s ASP 60 Cb -0.13 -1.70 0.02 0.00 1.01 0.00 0.00 42.92 42.13 3d3t s ASP 60 CO 0.03 -0.45 0.48 0.00 0.21 0.00 0.00 175.17 175.43 3d3t n GLN 61 N -1.84 -0.77 -3.87 8.23 1.13 -1.18 -4.89 117.38 114.18 3d3t n GLN 61 Ca -0.02 0.14 -0.37 0.00 -1.94 0.00 0.00 57.00 54.81 3d3t n GLN 61 Cb 0.57 -3.13 -0.06 0.00 0.11 0.00 0.00 30.24 27.73 3d3t n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3d3t s ILE 62 N -3.81 5.49 -0.24 5.09 -1.09 0.17 -4.74 121.20 122.07 3d3t s ILE 62 Ca 0.31 0.18 -0.18 0.00 -2.23 0.00 0.00 60.65 58.73 3d3t s ILE 62 Cb -0.16 -3.42 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 3d3t s ILE 62 CO 0.96 0.58 0.51 -0.22 -1.23 0.00 0.00 174.94 175.54 3d3t s LEU 63 N -1.14 4.08 0.05 2.97 2.96 -1.26 -0.82 118.68 125.53 3d3t s LEU 63 Ca 0.17 0.56 0.07 0.00 -0.22 0.00 0.00 54.13 54.71 3d3t s LEU 63 Cb -0.12 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 3d3t s LEU 63 CO 0.06 -0.24 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.03 3d3t s ILE 64 N 2.06 2.78 -0.33 6.68 1.01 -0.02 -4.32 121.20 129.06 3d3t s ILE 64 Ca 0.22 -1.23 -0.00 0.00 0.00 0.00 0.00 60.65 59.63 3d3t s ILE 64 Cb -0.15 -2.18 0.08 0.00 0.01 0.00 0.00 42.46 40.21 3d3t s ILE 64 CO 0.09 0.31 0.04 -0.70 0.00 0.00 0.00 174.94 174.68 3d3t s GLU 65 N -1.52 2.12 -0.31 2.79 2.12 -0.26 -1.15 118.70 122.49 3d3t s GLU 65 Ca 0.15 -1.53 -0.00 0.00 0.36 0.00 0.00 54.97 53.95 3d3t s GLU 65 Cb -0.10 -3.24 0.06 0.00 0.26 0.00 0.00 34.13 31.11 3d3t s GLU 65 CO 0.06 -0.78 0.00 0.96 -0.54 0.00 0.00 175.26 174.96 3d3t s ILE 66 N 1.14 2.78 -1.38 -3.70 -0.00 -0.27 -0.00 121.20 119.76 3d3t s ILE 66 Ca 0.00 -1.59 0.00 0.00 -0.00 0.00 0.00 60.65 59.07 3d3t s ILE 66 Cb -0.20 -2.67 0.00 0.00 -0.00 0.00 0.00 42.46 39.58 3d3t s ILE 66 CO -0.04 -0.19 0.00 0.00 -0.00 0.00 0.00 174.94 174.71 3d3t n GLY 68 N -1.05 0.50 3.54 0.00 0.00 -1.26 -5.01 105.19 101.91 3d3t n GLY 68 Ca -0.17 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 3d3t n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d3t s LYS 69 N -1.36 2.81 0.01 1.61 0.00 -1.14 -5.09 119.74 116.58 3d3t s LYS 69 Ca 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 55.97 55.33 3d3t s LYS 69 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 37.83 35.21 3d3t s LYS 69 CO 0.00 0.59 0.25 0.15 0.00 0.00 0.00 175.35 176.34 3d3t s LYS 70 N -0.62 3.54 0.04 1.78 1.02 -1.26 -1.12 119.74 123.13 3d3t s LYS 70 Ca 0.09 -0.14 -0.02 0.00 0.02 0.00 0.00 55.97 55.92 3d3t s LYS 70 Cb -0.11 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.09 3d3t s LYS 70 CO 0.02 0.65 -0.01 0.00 -0.92 0.00 0.00 175.35 175.09 3d3t s ALA 71 N -1.32 0.32 0.07 5.17 0.00 -0.30 -4.89 121.76 120.81 3d3t s ALA 71 Ca 0.28 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.37 3d3t s ALA 71 Cb -0.13 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 3d3t s ALA 71 CO 0.17 -0.32 -0.23 0.42 0.00 0.00 0.00 175.76 175.81 3d3t s ILE 72 N -3.14 1.85 -3.27 0.00 1.01 -1.26 -0.84 121.20 115.55 3d3t s ILE 72 Ca -0.00 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.27 3d3t s ILE 72 Cb 0.02 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.87 3d3t s ILE 72 CO -0.07 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.66 3d3t n GLY 73 N 1.57 -1.02 3.69 6.18 0.00 0.00 -4.87 105.19 110.75 3d3t n GLY 73 Ca -0.18 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 3d3t n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d3t s THR 74 N -3.00 4.35 -0.09 2.61 2.01 -1.26 -0.66 115.64 119.60 3d3t s THR 74 Ca 0.00 1.67 0.02 0.00 0.31 0.00 0.00 61.69 63.69 3d3t s THR 74 Cb 0.00 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 3d3t s THR 74 CO 0.00 0.02 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.12 3d3t s VAL 75 N 1.98 3.00 -0.07 3.82 1.01 -0.67 -4.33 120.40 125.13 3d3t s VAL 75 Ca 0.55 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 3d3t s VAL 75 Cb -0.24 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3d3t s VAL 75 CO 0.22 0.56 0.04 -0.76 0.00 0.00 0.00 175.10 175.17 3d3t s LEU 76 N -0.20 3.79 -0.21 3.92 1.43 0.96 -1.97 118.68 126.39 3d3t s LEU 76 Ca 0.00 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 3d3t s LEU 76 Cb -0.13 -1.95 0.04 0.00 0.03 0.00 0.00 46.19 44.18 3d3t s LEU 76 CO 0.03 0.36 -0.13 -0.69 0.23 0.00 0.00 176.35 176.16 3d3t s VAL 77 N -0.97 1.87 -0.01 -1.59 1.01 -0.54 -0.16 120.40 120.01 3d3t s VAL 77 Ca 0.16 -1.15 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 3d3t s VAL 77 Cb -0.12 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.40 3d3t s VAL 77 CO 0.05 0.20 0.33 0.61 0.00 0.00 0.00 175.10 176.29 3d3t n GLY 78 N 4.61 0.48 3.57 4.51 0.00 -0.88 -0.87 105.19 116.61 3d3t n GLY 78 Ca -0.16 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 3d3t n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d3t s PRO 79 N -2.00 3.82 -0.15 1.61 0.04 -1.26 -4.01 135.00 133.05 3d3t s PRO 79 Ca 0.08 -1.69 -0.02 0.00 0.04 0.00 0.00 61.00 59.40 3d3t s PRO 79 Cb -0.00 -5.47 -0.02 0.00 0.04 0.00 0.00 34.50 29.04 3d3t s PRO 79 CO -0.00 -2.29 -0.07 -0.08 0.04 0.00 0.00 177.00 174.59 3d3t s THR 80 N 4.65 3.54 0.39 1.26 -1.32 -1.26 -4.99 115.64 117.92 3d3t s THR 80 Ca 0.52 -0.48 0.13 0.00 -1.21 0.00 0.00 61.69 60.65 3d3t s THR 80 Cb 0.03 -2.53 0.34 0.00 -1.51 0.00 0.00 72.50 68.83 3d3t s THR 80 CO 0.02 0.50 1.88 -0.65 -2.21 0.00 0.00 174.62 174.17 3d3t h PRO 81 N 6.74 0.52 -3.67 7.08 0.11 -1.99 -3.42 132.00 137.37 3d3t h PRO 81 Ca -0.29 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.56 3d3t h PRO 81 Cb 1.20 -0.12 -0.28 0.00 0.11 0.00 0.00 31.00 31.91 3d3t h PRO 81 CO 0.60 0.35 -0.70 0.08 -0.21 0.00 0.00 178.00 178.12 3d3t s VAL 82 N -5.53 -0.00 0.21 3.15 1.01 -1.26 -5.08 120.40 112.89 3d3t s VAL 82 Ca -0.09 0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.59 3d3t s VAL 82 Cb 0.22 -0.04 -0.10 0.00 0.00 0.00 0.00 36.38 36.45 3d3t s VAL 82 CO 0.78 0.00 1.54 0.20 0.00 0.00 0.00 175.10 177.62 3d3t s ASN 83 N 0.06 6.57 -0.03 3.32 0.01 -1.26 -4.90 114.94 118.72 3d3t s ASN 83 Ca -0.00 2.68 0.05 0.00 -0.71 0.00 0.00 52.86 54.87 3d3t s ASN 83 Cb -0.01 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 3d3t s ASN 83 CO -0.00 -0.80 -0.17 0.27 -1.51 0.00 0.00 177.10 174.88 3d3t s ILE 84 N 0.67 1.40 -0.38 0.60 -4.36 -0.02 0.00 121.20 119.12 3d3t s ILE 84 Ca 0.66 -0.73 -0.17 0.00 -0.26 0.00 0.00 60.65 60.15 3d3t s ILE 84 Cb -0.44 -1.19 0.01 0.00 1.25 0.00 0.00 42.46 42.09 3d3t s ILE 84 CO 0.37 0.40 0.45 -0.63 0.24 0.00 0.00 174.94 175.77 3d3t s ILE 85 N -0.21 5.07 0.46 8.37 -1.09 0.68 -1.49 121.20 133.00 3d3t s ILE 85 Ca 0.02 -0.05 -0.01 0.00 -2.23 0.00 0.00 60.65 58.38 3d3t s ILE 85 Cb -0.09 -3.98 0.09 0.00 -1.58 0.00 0.00 42.46 36.91 3d3t s ILE 85 CO 0.01 -0.30 0.64 0.61 -1.23 0.00 0.00 174.94 174.66 3d3t n GLY 86 N 4.99 0.51 0.25 6.18 0.00 -1.09 -1.32 105.19 114.71 3d3t n GLY 86 Ca -0.07 -1.97 0.11 0.00 0.00 0.00 0.00 46.02 44.09 3d3t n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d3t h ARG 87 N 0.00 0.00 -0.36 1.61 3.08 -1.11 -0.97 114.38 116.63 3d3t h ARG 87 Ca -0.21 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 3d3t h ARG 87 Cb 0.75 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 3d3t h ARG 87 CO 0.22 0.15 0.01 -2.95 -1.07 0.00 0.00 179.97 176.33 3d3t h ASN 88 N 0.00 0.53 0.31 7.04 -1.07 -1.79 -1.27 115.58 119.33 3d3t h ASN 88 Ca -0.00 -0.10 -0.33 0.00 0.07 0.00 0.00 56.30 55.94 3d3t h ASN 88 Cb 0.41 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 36.53 3d3t h ASN 88 CO 0.02 0.59 -1.65 0.24 0.07 0.00 0.00 177.43 176.70 3d3t h MET 89 N 0.54 0.34 -0.71 4.14 2.86 -1.79 -3.37 114.93 116.95 3d3t h MET 89 Ca 0.12 -0.58 -0.04 0.00 -2.06 0.00 0.00 59.70 57.14 3d3t h MET 89 Cb 0.33 0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 3d3t h MET 89 CO 0.01 1.23 0.30 -0.07 1.06 0.00 0.00 176.91 179.44 3d3t h LEU 90 N 0.09 0.94 -1.78 1.22 3.38 -0.93 -0.48 115.31 117.76 3d3t h LEU 90 Ca -0.30 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 3d3t h LEU 90 Cb 2.07 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.57 3d3t h LEU 90 CO 0.18 0.83 -0.14 0.71 0.09 0.00 0.00 178.44 180.10 3d3t h THR 91 N 1.02 0.59 0.00 0.22 1.35 -1.42 -1.31 112.91 113.35 3d3t h THR 91 Ca 0.24 -0.64 -0.11 0.00 -0.55 0.00 0.00 66.41 65.35 3d3t h THR 91 Cb 0.17 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 3d3t h THR 91 CO -0.02 0.14 -0.50 1.56 -0.25 0.00 0.00 175.52 176.45 3d3t h GLN 92 N 0.00 0.00 -0.13 4.72 4.20 -1.25 -2.75 115.11 119.91 3d3t h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3d3t h GLN 92 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3d3t h GLN 92 CO 0.02 0.50 0.00 1.28 -0.67 0.00 0.00 178.83 179.96 3d3t n LEU 93 N -3.54 0.92 -3.21 1.46 4.77 -0.56 -4.88 117.00 111.96 3d3t n LEU 93 Ca -0.00 -0.42 -0.23 0.00 -0.03 0.00 0.00 56.01 55.33 3d3t n LEU 93 Cb 0.60 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.63 3d3t n LEU 93 CO 0.39 0.21 0.02 0.61 -1.33 0.00 0.00 177.39 177.29 3d3t n GLY 94 N 0.89 -0.52 3.72 -0.72 0.00 -1.04 -4.93 105.19 102.60 3d3t n GLY 94 Ca 0.11 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3d3t n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3t s THR 96 N 0.44 1.79 -0.12 0.00 -4.23 -1.26 -4.74 115.64 107.51 3d3t s THR 96 Ca 0.47 -2.15 -0.08 0.00 -1.18 0.00 0.00 61.69 58.75 3d3t s THR 96 Cb -0.22 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 3d3t s THR 96 CO 0.28 -0.52 0.16 -0.76 -0.54 0.00 0.00 174.62 173.24 3d3t s LEU 97 N -3.17 4.37 -0.08 4.79 1.43 -1.26 -5.09 118.68 119.67 3d3t s LEU 97 Ca 0.21 0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 53.77 3d3t s LEU 97 Cb -0.02 -2.11 0.03 0.00 0.03 0.00 0.00 46.19 44.11 3d3t s LEU 97 CO 0.07 0.36 -0.04 0.20 0.23 0.00 0.00 176.35 177.18 3d3t s ASN 98 N -0.80 1.73 0.00 2.29 0.01 -1.26 -5.28 114.94 111.63 3d3t s ASN 98 Ca 0.15 -0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 3d3t s ASN 98 Cb -0.12 -0.60 0.00 0.00 0.41 0.00 0.00 41.25 40.94 3d3t s ASN 98 CO 0.04 -0.14 0.00 2.22 -1.51 0.00 0.00 177.10 177.71