#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 4.61 -0.09 0.54 0.00 -1.26 -5.08 119.66 118.39 3d3t s GLN 2 Ca 0.00 1.23 0.02 0.00 -0.00 0.00 0.00 55.36 56.61 3d3t s GLN 2 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 33.01 29.71 3d3t s GLN 2 CO 0.00 0.44 -0.15 0.42 0.00 0.00 0.00 175.29 176.00 3d3t s ILE 3 N -0.70 1.42 0.79 3.63 1.09 -1.26 -5.14 121.20 121.03 3d3t s ILE 3 Ca 0.39 -0.62 -0.11 0.00 -1.10 0.00 0.00 60.65 59.21 3d3t s ILE 3 Cb -0.23 -1.28 0.07 0.00 -1.06 0.00 0.00 42.46 39.96 3d3t s ILE 3 CO 0.27 0.42 1.16 0.42 -0.10 0.00 0.00 174.94 177.10 3d3t s THR 4 N 0.79 2.11 -0.16 2.92 -4.23 -1.26 -5.01 115.64 110.80 3d3t s THR 4 Ca -0.11 -0.01 0.17 0.00 -1.18 0.00 0.00 61.69 60.56 3d3t s THR 4 Cb -0.16 -3.03 0.34 0.00 1.34 0.00 0.00 72.50 70.99 3d3t s THR 4 CO 0.02 -0.03 1.18 0.18 -0.54 0.00 0.00 174.62 175.43 3d3t n LEU 5 N -3.26 2.53 0.20 4.79 4.77 -1.26 -4.52 117.00 120.25 3d3t n LEU 5 Ca 0.08 -3.31 0.14 0.00 -0.03 0.00 0.00 56.01 52.88 3d3t n LEU 5 Cb 0.61 -0.46 0.40 0.00 -2.33 0.00 0.00 43.42 41.63 3d3t n LEU 5 CO 0.56 0.90 0.88 -0.50 -1.33 0.00 0.00 177.39 177.91 3d3t h TRP 6 N 0.34 0.00 -4.08 -1.77 4.06 -2.07 -3.44 115.95 108.99 3d3t h TRP 6 Ca 0.00 0.00 -0.62 0.00 2.06 0.00 0.00 58.89 60.33 3d3t h TRP 6 Cb 1.03 0.00 -0.24 0.00 -1.00 0.00 0.00 29.16 28.94 3d3t h TRP 6 CO 0.23 0.00 -0.85 -0.65 -3.56 0.00 0.00 178.44 173.61 3d3t s GLN 7 N -3.32 1.41 0.09 0.49 -0.21 -1.26 -5.09 119.66 111.77 3d3t s GLN 7 Ca 0.06 -1.12 -0.35 0.00 0.02 0.00 0.00 55.36 53.97 3d3t s GLN 7 Cb 0.08 -1.66 -0.14 0.00 1.00 0.00 0.00 33.01 32.29 3d3t s GLN 7 CO 0.58 0.41 1.57 0.54 -2.12 0.00 0.00 175.29 176.27 3d3t n ARG 8 N 1.44 1.87 -2.29 2.91 1.74 -1.26 -4.81 116.66 116.26 3d3t n ARG 8 Ca -0.18 0.68 -0.35 0.00 -0.77 0.00 0.00 57.85 57.23 3d3t n ARG 8 Cb 0.53 -2.42 -0.03 0.00 -1.02 0.00 0.00 32.46 29.51 3d3t n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3d3t s PRO 9 N 1.37 3.14 -0.11 5.56 0.04 -1.26 -4.95 135.00 138.79 3d3t s PRO 9 Ca 0.83 -1.51 -0.15 0.00 0.04 0.00 0.00 61.00 60.21 3d3t s PRO 9 Cb -0.76 -5.37 -0.05 0.00 0.04 0.00 0.00 34.50 28.36 3d3t s PRO 9 CO 0.43 -3.23 0.36 -0.51 0.04 0.00 0.00 177.00 174.09 3d3t s LEU 10 N 8.06 4.31 0.19 -3.56 1.43 -1.26 -1.26 118.68 126.59 3d3t s LEU 10 Ca 0.62 0.68 0.10 0.00 -1.03 0.00 0.00 54.13 54.50 3d3t s LEU 10 Cb 0.01 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 3d3t s LEU 10 CO 0.11 0.14 -0.21 0.68 0.23 0.00 0.00 176.35 177.29 3d3t s VAL 11 N 0.10 2.13 -0.06 -1.59 -7.23 -0.25 -4.92 120.40 108.57 3d3t s VAL 11 Ca 0.20 -2.02 -0.24 0.00 -1.81 0.00 0.00 61.98 58.11 3d3t s VAL 11 Cb -0.14 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 3d3t s VAL 11 CO 0.07 -0.23 0.73 -0.89 -0.31 0.00 0.00 175.10 174.47 3d3t s THR 12 N -1.92 5.03 0.04 5.32 2.01 -1.26 -1.78 115.64 123.08 3d3t s THR 12 Ca 0.19 1.50 0.08 0.00 0.31 0.00 0.00 61.69 63.78 3d3t s THR 12 Cb -0.07 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 3d3t s THR 12 CO 0.09 0.24 -0.23 0.27 -0.69 0.00 0.00 174.62 174.30 3d3t s ILE 13 N 0.82 1.88 -0.29 1.82 -4.36 0.26 -3.00 121.20 118.34 3d3t s ILE 13 Ca 0.39 -1.28 -0.07 0.00 -0.26 0.00 0.00 60.65 59.43 3d3t s ILE 13 Cb -0.18 -1.62 0.01 0.00 1.25 0.00 0.00 42.46 41.92 3d3t s ILE 13 CO 0.19 0.28 0.07 -0.75 0.24 0.00 0.00 174.94 174.97 3d3t s LYS 14 N -1.19 3.15 -0.11 0.37 2.20 0.24 -1.23 119.74 123.16 3d3t s LYS 14 Ca 0.09 -0.81 -0.02 0.00 -0.36 0.00 0.00 55.97 54.88 3d3t s LYS 14 Cb -0.09 -3.34 0.04 0.00 -1.51 0.00 0.00 37.83 32.93 3d3t s LYS 14 CO 0.02 -0.40 0.00 -1.50 -0.36 0.00 0.00 175.35 173.10 3d3t s ILE 15 N 1.50 0.51 -1.40 5.43 2.07 -0.04 -0.84 121.20 128.44 3d3t s ILE 15 Ca 0.03 -0.14 -0.10 0.00 -1.41 0.00 0.00 60.65 59.03 3d3t s ILE 15 Cb -0.17 -0.76 0.03 0.00 0.13 0.00 0.00 42.46 41.70 3d3t s ILE 15 CO 0.02 0.14 1.10 0.61 -1.91 0.00 0.00 174.94 174.90 3d3t n GLY 16 N 5.09 -0.52 3.60 1.50 0.00 -1.26 -1.43 105.19 112.16 3d3t n GLY 16 Ca -0.08 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.86 2.88 3.76 -0.02 0.00 -1.26 -4.99 105.19 103.70 3d3t n GLY 17 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 4.32 -0.16 1.61 -0.21 -0.52 -5.06 119.66 119.64 3d3t s GLN 18 Ca 0.00 0.74 -0.14 0.00 0.02 0.00 0.00 55.36 55.98 3d3t s GLN 18 Cb 0.00 -3.35 -0.05 0.00 1.00 0.00 0.00 33.01 30.61 3d3t s GLN 18 CO 0.00 0.35 0.30 -0.51 -2.12 0.00 0.00 175.29 173.30 3d3t s LEU 19 N -0.12 4.24 0.17 2.90 1.43 -1.26 -0.86 118.68 125.17 3d3t s LEU 19 Ca 0.31 0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.89 3d3t s LEU 19 Cb -0.18 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 3d3t s LEU 19 CO 0.17 0.09 0.12 -0.13 0.23 0.00 0.00 176.35 176.83 3d3t s ARG 20 N 0.53 1.10 0.12 1.70 1.81 -0.36 -5.01 118.95 118.83 3d3t s ARG 20 Ca 0.16 -1.51 0.06 0.00 -1.72 0.00 0.00 55.73 52.72 3d3t s ARG 20 Cb -0.13 0.27 -0.04 0.00 -0.45 0.00 0.00 34.95 34.60 3d3t s ARG 20 CO 0.04 -0.35 0.01 -1.21 -0.68 0.00 0.00 175.30 173.11 3d3t s GLU 21 N -4.10 2.54 -0.11 3.54 2.02 -1.26 -0.57 118.70 120.76 3d3t s GLU 21 Ca 0.31 -0.91 -0.24 0.00 0.02 0.00 0.00 54.97 54.15 3d3t s GLU 21 Cb 0.07 -2.50 0.06 0.00 0.10 0.00 0.00 34.13 31.85 3d3t s GLU 21 CO 0.07 0.51 0.58 0.00 0.02 0.00 0.00 175.26 176.44 3d3t s ALA 22 N -1.46 -1.47 0.01 5.21 0.00 -0.73 -4.48 121.76 118.84 3d3t s ALA 22 Ca 0.27 1.27 -0.25 0.00 0.00 0.00 0.00 51.96 53.25 3d3t s ALA 22 Cb -0.11 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 3d3t s ALA 22 CO 0.19 -0.32 0.75 -1.17 0.00 0.00 0.00 175.76 175.22 3d3t s LEU 23 N -0.63 4.41 -0.48 0.00 2.96 0.49 -1.09 118.68 124.34 3d3t s LEU 23 Ca -0.07 1.38 -0.29 0.00 -0.22 0.00 0.00 54.13 54.93 3d3t s LEU 23 Cb -0.03 -3.20 0.03 0.00 0.50 0.00 0.00 46.19 43.49 3d3t s LEU 23 CO 0.05 -0.03 1.14 -0.76 -1.32 0.00 0.00 176.35 175.43 3d3t s LEU 24 N 0.19 3.64 -0.32 -0.68 1.43 -0.39 0.02 118.68 122.57 3d3t s LEU 24 Ca 0.39 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.96 3d3t s LEU 24 Cb -0.20 -3.53 0.09 0.00 0.03 0.00 0.00 46.19 42.59 3d3t s LEU 24 CO 0.22 -1.26 0.02 0.21 0.23 0.00 0.00 176.35 175.77 3d3t s ASN 25 N 2.48 4.72 0.36 2.29 3.84 -0.74 -4.86 114.94 123.03 3d3t s ASN 25 Ca 0.48 -1.96 0.27 0.00 0.21 0.00 0.00 52.86 51.85 3d3t s ASN 25 Cb -0.07 -1.62 0.93 0.00 -0.55 0.00 0.00 41.25 39.94 3d3t s ASN 25 CO 0.32 -0.34 1.78 0.71 -2.79 0.00 0.00 177.10 176.78 3d3t h THR 26 N 6.63 0.00 -0.33 -5.21 1.35 -1.94 -2.97 112.91 110.44 3d3t h THR 26 Ca -0.08 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3d3t h THR 26 Cb 1.03 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 3d3t h THR 26 CO 0.52 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 3d3t n GLY 27 N 0.51 2.25 3.10 5.82 0.00 -1.26 -4.83 105.19 110.78 3d3t n GLY 27 Ca 0.03 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.96 1.34 0.04 4.61 0.00 -1.12 -5.03 121.76 119.63 3d3t s ALA 28 Ca 0.31 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 3d3t s ALA 28 Cb 0.23 -0.45 -0.28 0.00 0.00 0.00 0.00 23.12 22.62 3d3t s ALA 28 CO 0.10 0.24 0.99 -0.44 0.00 0.00 0.00 175.76 176.65 3d3t h ASP 29 N 6.27 0.39 -1.03 0.00 3.32 -1.88 -1.17 116.42 122.32 3d3t h ASP 29 Ca -0.33 -0.47 -0.63 0.00 0.02 0.00 0.00 57.03 55.62 3d3t h ASP 29 Cb 1.17 -0.13 -0.11 0.00 0.22 0.00 0.00 39.33 40.49 3d3t h ASP 29 CO 0.48 1.38 -0.50 -1.81 -1.72 0.00 0.00 179.24 177.07 3d3t s ASP 30 N -7.03 4.20 -0.24 6.45 1.01 -1.26 -2.83 116.67 116.98 3d3t s ASP 30 Ca -0.06 -1.39 -0.08 0.00 0.71 0.00 0.00 52.55 51.72 3d3t s ASP 30 Cb 0.07 0.03 -0.04 0.00 1.01 0.00 0.00 42.92 43.99 3d3t s ASP 30 CO 0.87 -0.71 0.10 -0.89 0.21 0.00 0.00 175.17 174.75 3d3t s THR 31 N -2.75 4.72 -0.10 -1.27 2.01 -1.26 -2.45 115.64 114.54 3d3t s THR 31 Ca 0.26 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.23 3d3t s THR 31 Cb 0.04 -3.20 0.02 0.00 0.01 0.00 0.00 72.50 69.37 3d3t s THR 31 CO 0.14 0.34 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.61 3d3t s VAL 32 N 1.34 1.23 0.10 3.82 1.01 -0.12 0.51 120.40 128.30 3d3t s VAL 32 Ca 0.06 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.65 3d3t s VAL 32 Cb -0.15 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3d3t s VAL 32 CO 0.05 0.39 -0.23 -0.76 0.00 0.00 0.00 175.10 174.55 3d3t s LEU 33 N 1.11 2.29 -0.20 3.92 1.02 0.22 -0.95 118.68 126.10 3d3t s LEU 33 Ca -0.05 -0.69 -0.11 0.00 0.02 0.00 0.00 54.13 53.29 3d3t s LEU 33 Cb -0.14 -0.99 -0.09 0.00 0.02 0.00 0.00 46.19 44.99 3d3t s LEU 33 CO -0.02 0.10 -0.28 -1.84 0.02 0.00 0.00 176.35 174.33 3d3t n GLU 34 N 1.10 0.45 -0.79 1.70 0.00 -1.26 -2.00 120.64 119.85 3d3t n GLU 34 Ca -0.19 0.20 -0.13 0.00 0.00 0.00 0.00 57.16 57.04 3d3t n GLU 34 Cb 0.53 -1.26 0.14 0.00 0.00 0.00 0.00 31.44 30.86 3d3t n GLU 34 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 3d3t n ASP 35 N -3.99 3.60 -4.78 -1.84 5.68 -1.26 -4.75 116.55 109.21 3d3t n ASP 35 Ca -0.39 -3.01 -0.23 0.00 -0.50 0.00 0.00 54.79 50.66 3d3t n ASP 35 Cb 0.76 -0.71 -0.06 0.00 -1.14 0.00 0.00 41.12 39.97 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 -2.19 2.54 -0.13 2.12 1.01 -1.26 -5.13 121.20 118.16 3d3t s ILE 36 Ca 0.38 -1.59 -0.04 0.00 0.00 0.00 0.00 60.65 59.40 3d3t s ILE 36 Cb 0.31 -3.00 0.07 0.00 0.01 0.00 0.00 42.46 39.85 3d3t s ILE 36 CO 0.08 -0.03 0.21 0.20 0.00 0.00 0.00 174.94 175.40 3d3t s ASN 37 N -3.96 0.77 0.12 3.58 0.01 -1.26 -5.04 114.94 109.16 3d3t s ASN 37 Ca 0.43 0.28 0.07 0.00 -0.71 0.00 0.00 52.86 52.93 3d3t s ASN 37 Cb 0.01 0.46 -0.04 0.00 0.41 0.00 0.00 41.25 42.08 3d3t s ASN 37 CO 0.24 -0.26 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.73 3d3t s LEU 38 N 2.35 3.10 0.62 0.60 1.43 -1.26 -5.01 118.68 120.52 3d3t s LEU 38 Ca 0.03 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 3d3t s LEU 38 Cb -0.13 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.25 3d3t s LEU 38 CO -0.08 0.16 0.92 -2.16 0.23 0.00 0.00 176.35 175.42 3d3t s PRO 39 N -2.35 2.61 0.21 1.29 0.04 -1.26 -5.04 135.00 130.50 3d3t s PRO 39 Ca 0.23 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.07 3d3t s PRO 39 Cb -0.11 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.17 3d3t s PRO 39 CO 0.15 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.71 3d3t n GLY 40 N -2.67 -2.67 3.78 0.56 0.00 -1.26 -4.97 105.19 97.95 3d3t n GLY 40 Ca 0.06 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.67 2.81 0.00 1.61 0.00 -1.26 -5.08 119.74 117.15 3d3t s LYS 41 Ca 0.00 1.33 -0.15 0.00 0.00 0.00 0.00 55.97 57.15 3d3t s LYS 41 Cb 0.00 -1.96 0.02 0.00 0.00 0.00 0.00 37.83 35.90 3d3t s LYS 41 CO 0.00 -1.23 0.32 1.67 0.00 0.00 0.00 175.35 176.10 3d3t s TRP 42 N -2.43 -0.17 -0.10 1.78 1.48 -1.26 -4.70 118.94 113.54 3d3t s TRP 42 Ca 0.66 0.19 -0.05 0.00 -1.06 0.00 0.00 56.10 55.84 3d3t s TRP 42 Cb -0.19 0.10 -0.04 0.00 -1.16 0.00 0.00 33.47 32.18 3d3t s TRP 42 CO 0.43 -0.43 0.12 -1.59 -4.06 0.00 0.00 176.95 171.42 3d3t s LYS 43 N -1.70 3.35 0.41 3.25 0.00 -0.52 -4.88 119.74 119.65 3d3t s LYS 43 Ca -0.11 -0.21 -0.25 0.00 0.00 0.00 0.00 55.97 55.40 3d3t s LYS 43 Cb -0.04 -3.10 -0.08 0.00 0.00 0.00 0.00 37.83 34.61 3d3t s LYS 43 CO 0.02 0.75 1.21 -2.14 0.00 0.00 0.00 175.35 175.19 3d3t s PRO 44 N -1.13 3.97 0.02 1.78 0.02 -1.26 -0.67 135.00 137.72 3d3t s PRO 44 Ca 0.16 1.92 -0.24 0.00 0.02 0.00 0.00 61.00 62.86 3d3t s PRO 44 Cb -0.12 -2.65 0.06 0.00 0.02 0.00 0.00 34.50 31.80 3d3t s PRO 44 CO 0.06 -0.41 0.56 0.21 -0.33 0.00 0.00 177.00 177.08 3d3t s LYS 45 N -2.35 1.03 -0.07 5.54 2.20 -1.04 -4.86 119.74 120.20 3d3t s LYS 45 Ca 0.58 -0.09 0.04 0.00 -0.36 0.00 0.00 55.97 56.13 3d3t s LYS 45 Cb -0.33 0.48 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 3d3t s LYS 45 CO 0.41 -0.36 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.22 3d3t s MET 46 N -2.06 2.13 0.36 4.03 -1.94 -1.26 -1.15 119.30 119.41 3d3t s MET 46 Ca -0.07 -0.63 0.08 0.00 -1.71 0.00 0.00 55.69 53.36 3d3t s MET 46 Cb -0.01 -1.74 -0.07 0.00 2.01 0.00 0.00 34.83 35.03 3d3t s MET 46 CO 0.02 0.16 -0.06 0.96 -0.01 0.00 0.00 175.02 176.09 3d3t s ILE 47 N 0.31 2.10 0.32 2.53 -4.36 -1.07 -5.01 121.20 116.02 3d3t s ILE 47 Ca -0.11 -2.13 0.04 0.00 -0.26 0.00 0.00 60.65 58.18 3d3t s ILE 47 Cb -0.15 -2.75 -0.02 0.00 1.25 0.00 0.00 42.46 40.79 3d3t s ILE 47 CO 0.05 -0.14 0.31 -0.83 0.24 0.00 0.00 174.94 174.57 3d3t s GLY 48 N -3.63 1.99 0.00 6.27 0.00 -1.26 -1.52 107.32 109.18 3d3t s GLY 48 Ca 0.33 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 43.18 3d3t s GLY 48 CO 0.17 -1.33 0.00 0.61 0.00 0.00 0.00 173.10 172.54 3d3t n GLY 49 N -0.56 1.63 3.55 0.20 0.00 0.19 -4.98 105.19 105.23 3d3t n GLY 49 Ca 0.05 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3d3t n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d3t s ILE 50 N 0.26 3.18 0.00 -0.61 1.01 -1.26 -1.75 121.20 122.03 3d3t s ILE 50 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.76 3d3t s ILE 50 Cb 0.00 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3d3t s ILE 50 CO 0.00 -0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.13 3d3t n GLY 51 N 5.84 0.88 0.00 6.18 0.00 -1.26 -5.02 105.19 111.81 3d3t n GLY 51 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.62 0.96 3.55 -0.02 0.00 -0.72 -5.04 105.19 103.31 3d3t n GLY 52 Ca 0.00 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 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 2.78 0.00 1.61 0.40 -1.26 -0.64 117.98 120.88 3d3t s PHE 53 Ca 0.00 -0.11 0.08 0.00 -0.60 0.00 0.00 56.93 56.31 3d3t s PHE 53 Cb 0.00 -1.57 -0.02 0.00 0.51 0.00 0.00 43.02 41.93 3d3t s PHE 53 CO 0.00 0.32 -0.25 0.42 0.70 0.00 0.00 175.22 176.41 3d3t s ILE 54 N -0.95 2.02 -0.12 0.64 1.01 -0.57 -5.00 121.20 118.23 3d3t s ILE 54 Ca 0.16 -1.17 -0.21 0.00 0.00 0.00 0.00 60.65 59.42 3d3t s ILE 54 Cb -0.11 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 3d3t s ILE 54 CO 0.06 0.49 0.63 -0.54 0.00 0.00 0.00 174.94 175.59 3d3t s LYS 55 N -0.80 4.34 0.36 2.79 3.01 -1.26 -2.59 119.74 125.59 3d3t s LYS 55 Ca 0.10 0.71 0.04 0.00 -1.01 0.00 0.00 55.97 55.81 3d3t s LYS 55 Cb -0.10 -3.49 -0.06 0.00 -1.01 0.00 0.00 37.83 33.17 3d3t s LYS 55 CO 0.00 -0.02 0.05 0.14 0.51 0.00 0.00 175.35 176.03 3d3t s VAL 56 N 1.16 1.26 -0.24 3.17 -7.23 -0.30 -4.52 120.40 113.70 3d3t s VAL 56 Ca 0.32 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.38 3d3t s VAL 56 Cb -0.16 -2.75 -0.05 0.00 0.56 0.00 0.00 36.38 33.98 3d3t s VAL 56 CO 0.14 0.00 0.17 -0.13 -0.31 0.00 0.00 175.10 174.97 3d3t s ARG 57 N -3.84 4.08 -0.42 4.82 0.52 -0.32 -2.50 118.95 121.30 3d3t s ARG 57 Ca 0.33 -0.24 -0.19 0.00 -0.52 0.00 0.00 55.73 55.11 3d3t s ARG 57 Cb 0.08 -3.53 0.02 0.00 0.52 0.00 0.00 34.95 32.04 3d3t s ARG 57 CO 0.15 0.07 0.53 -1.14 0.02 0.00 0.00 175.30 174.93 3d3t s GLN 58 N 1.03 3.21 -0.15 3.54 0.74 0.15 -1.12 119.66 127.06 3d3t s GLN 58 Ca 0.08 -0.55 -0.10 0.00 0.05 0.00 0.00 55.36 54.84 3d3t s GLN 58 Cb -0.13 -3.95 -0.05 0.00 1.10 0.00 0.00 33.01 29.98 3d3t s GLN 58 CO 0.04 -0.90 0.18 0.71 -0.55 0.00 0.00 175.29 174.77 3d3t s TYR 59 N 2.44 3.51 0.25 1.67 1.51 -1.07 -1.44 117.35 124.22 3d3t s TYR 59 Ca 0.17 0.49 0.02 0.00 -1.01 0.00 0.00 57.07 56.74 3d3t s TYR 59 Cb -0.16 -2.11 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 3d3t s TYR 59 CO 0.16 0.47 0.42 -0.51 -1.11 0.00 0.00 175.55 174.98 3d3t s ASP 60 N -0.24 6.34 -1.30 2.29 1.01 -1.26 -2.28 116.67 121.21 3d3t s ASP 60 Ca 0.13 0.29 -0.16 0.00 0.71 0.00 0.00 52.55 53.52 3d3t s ASP 60 Cb -0.12 -1.96 0.01 0.00 1.01 0.00 0.00 42.92 41.86 3d3t s ASP 60 CO 0.02 -0.11 0.52 0.00 0.21 0.00 0.00 175.17 175.81 3d3t n GLN 61 N -1.20 -1.47 -3.75 8.23 0.00 -1.23 -4.89 117.38 113.07 3d3t n GLN 61 Ca -0.06 0.27 -0.36 0.00 0.00 0.00 0.00 57.00 56.85 3d3t n GLN 61 Cb 0.55 -3.69 -0.09 0.00 0.00 0.00 0.00 30.24 27.01 3d3t n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3d3t s ILE 62 N -3.78 5.19 -0.03 -0.39 -1.09 0.33 -4.71 121.20 116.73 3d3t s ILE 62 Ca 0.27 0.12 -0.30 0.00 -2.23 0.00 0.00 60.65 58.51 3d3t s ILE 62 Cb -0.12 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 3d3t s ILE 62 CO 0.92 0.39 1.17 -0.22 -1.23 0.00 0.00 174.94 175.98 3d3t s LEU 63 N 0.78 4.30 0.07 2.97 2.96 -1.26 -1.58 118.68 126.92 3d3t s LEU 63 Ca 0.07 1.83 0.07 0.00 -0.22 0.00 0.00 54.13 55.88 3d3t s LEU 63 Cb -0.13 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 3d3t s LEU 63 CO 0.02 -0.53 -0.20 0.27 -1.32 0.00 0.00 176.35 174.59 3d3t s ILE 64 N 1.90 1.60 -0.19 6.68 -5.25 0.10 -4.30 121.20 121.75 3d3t s ILE 64 Ca 0.56 -1.32 0.01 0.00 -0.99 0.00 0.00 60.65 58.90 3d3t s ILE 64 Cb -0.25 -1.43 0.04 0.00 2.95 0.00 0.00 42.46 43.77 3d3t s ILE 64 CO 0.23 0.05 -0.10 -0.70 -1.79 0.00 0.00 174.94 172.64 3d3t s GLU 65 N -1.50 1.97 -0.05 0.37 2.12 -0.02 -1.51 118.70 120.09 3d3t s GLU 65 Ca 0.06 -0.75 0.05 0.00 0.36 0.00 0.00 54.97 54.69 3d3t s GLU 65 Cb -0.09 -2.31 -0.01 0.00 0.26 0.00 0.00 34.13 31.98 3d3t s GLU 65 CO 0.03 -0.40 -0.20 0.42 -0.54 0.00 0.00 175.26 174.57 3d3t s ILE 66 N 1.45 1.66 -0.63 -3.70 -1.09 -0.22 0.79 121.20 119.46 3d3t s ILE 66 Ca -0.00 -0.85 -0.04 0.00 -2.23 0.00 0.00 60.65 57.53 3d3t s ILE 66 Cb -0.16 -1.42 0.04 0.00 -1.58 0.00 0.00 42.46 39.35 3d3t s ILE 66 CO -0.08 0.47 0.14 0.00 -1.23 0.00 0.00 174.94 174.23 3d3t n GLY 68 N -0.73 0.68 3.77 0.00 0.00 -1.26 -4.99 105.19 102.66 3d3t n GLY 68 Ca -0.02 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.99 3.40 0.10 1.61 0.00 0.86 -5.11 119.74 118.62 3d3t s LYS 69 Ca 0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 55.97 55.60 3d3t s LYS 69 Cb 0.00 -3.07 -0.06 0.00 0.00 0.00 0.00 37.83 34.70 3d3t s LYS 69 CO 0.00 0.65 0.43 0.15 0.00 0.00 0.00 175.35 176.59 3d3t s LYS 70 N -0.70 3.81 0.06 1.78 1.02 -1.26 -1.06 119.74 123.39 3d3t s LYS 70 Ca 0.12 0.24 -0.15 0.00 0.02 0.00 0.00 55.97 56.21 3d3t s LYS 70 Cb -0.12 -2.98 0.02 0.00 -0.52 0.00 0.00 37.83 34.24 3d3t s LYS 70 CO 0.03 0.54 0.33 0.00 -0.92 0.00 0.00 175.35 175.33 3d3t s ALA 71 N -1.42 -0.75 0.03 5.17 0.00 -0.57 -4.89 121.76 119.33 3d3t s ALA 71 Ca 0.34 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.35 3d3t s ALA 71 Cb -0.14 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 3d3t s ALA 71 CO 0.18 -0.46 -0.09 -1.50 0.00 0.00 0.00 175.76 173.89 3d3t s ILE 72 N -2.81 0.72 -5.00 0.00 2.07 -1.26 -0.72 121.20 114.20 3d3t s ILE 72 Ca -0.03 -0.87 0.00 0.00 -1.41 0.00 0.00 60.65 58.34 3d3t s ILE 72 Cb -0.00 -0.70 0.00 0.00 0.13 0.00 0.00 42.46 41.89 3d3t s ILE 72 CO -0.05 -0.14 0.00 0.61 -1.91 0.00 0.00 174.94 173.45 3d3t n GLY 73 N 1.93 -0.57 3.69 1.50 0.00 -0.62 -4.87 105.19 106.25 3d3t n GLY 73 Ca -0.19 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.93 4.11 -0.12 2.61 2.01 -1.26 -0.51 115.64 119.55 3d3t s THR 74 Ca 0.00 1.46 0.02 0.00 0.31 0.00 0.00 61.69 63.48 3d3t s THR 74 Cb 0.00 -3.94 -0.00 0.00 0.01 0.00 0.00 72.50 68.57 3d3t s THR 74 CO 0.00 0.00 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.04 3d3t s VAL 75 N 2.23 2.35 -0.10 3.82 1.01 -0.97 -4.35 120.40 124.40 3d3t s VAL 75 Ca 0.58 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 3d3t s VAL 75 Cb -0.26 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3d3t s VAL 75 CO 0.23 0.54 0.18 -0.76 0.00 0.00 0.00 175.10 175.30 3d3t s LEU 76 N 0.49 4.40 -0.21 3.92 1.43 0.18 -2.58 118.68 126.31 3d3t s LEU 76 Ca -0.13 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 3d3t s LEU 76 Cb -0.17 -2.16 0.04 0.00 0.03 0.00 0.00 46.19 43.93 3d3t s LEU 76 CO 0.05 0.40 -0.15 -0.69 0.23 0.00 0.00 176.35 176.18 3d3t s VAL 77 N -1.04 2.03 0.02 -1.59 1.01 -0.28 -0.61 120.40 119.94 3d3t s VAL 77 Ca 0.16 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 3d3t s VAL 77 Cb -0.13 -1.98 0.04 0.00 0.00 0.00 0.00 36.38 34.31 3d3t s VAL 77 CO 0.06 0.28 0.60 0.61 0.00 0.00 0.00 175.10 176.65 3d3t n GLY 78 N 4.56 0.56 2.75 4.51 0.00 -0.84 -1.17 105.19 115.56 3d3t n GLY 78 Ca -0.17 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 3d3t n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3d3t n PRO 79 N -0.43 2.18 -3.57 1.61 -0.04 -1.26 -4.06 135.00 129.43 3d3t n PRO 79 Ca 0.01 -1.81 -0.37 0.00 -0.04 0.00 0.00 63.50 61.29 3d3t n PRO 79 Cb 0.29 -2.74 -0.07 0.00 -0.04 0.00 0.00 33.50 30.94 3d3t n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3d3t s THR 80 N 3.75 5.25 0.35 0.52 -1.32 -1.26 -5.00 115.64 117.92 3d3t s THR 80 Ca 0.50 0.60 0.06 0.00 -1.21 0.00 0.00 61.69 61.64 3d3t s THR 80 Cb 0.13 -3.63 0.30 0.00 -1.51 0.00 0.00 72.50 67.79 3d3t s THR 80 CO 0.01 0.48 1.91 -0.65 -2.21 0.00 0.00 174.62 174.16 3d3t h PRO 81 N 5.84 0.77 -3.80 7.08 0.11 -1.98 -3.43 132.00 136.58 3d3t h PRO 81 Ca -0.46 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 3d3t h PRO 81 Cb 1.19 -0.17 -0.21 0.00 0.11 0.00 0.00 31.00 31.92 3d3t h PRO 81 CO 0.69 0.51 -0.62 0.14 -0.21 0.00 0.00 178.00 178.51 3d3t s VAL 82 N -5.73 0.10 0.39 3.15 -7.23 -1.26 -5.07 120.40 104.76 3d3t s VAL 82 Ca -0.10 -0.85 -0.27 0.00 -1.81 0.00 0.00 61.98 58.95 3d3t s VAL 82 Cb 0.20 -0.36 -0.09 0.00 0.56 0.00 0.00 36.38 36.69 3d3t s VAL 82 CO 0.78 -0.47 1.32 0.20 -0.31 0.00 0.00 175.10 176.63 3d3t s ASN 83 N -1.48 6.38 -0.03 4.85 0.01 -1.26 -4.89 114.94 118.52 3d3t s ASN 83 Ca -0.15 2.70 -0.01 0.00 -0.71 0.00 0.00 52.86 54.69 3d3t s ASN 83 Cb -0.09 -2.64 0.03 0.00 0.41 0.00 0.00 41.25 38.96 3d3t s ASN 83 CO -0.00 -0.80 0.05 -0.63 -1.51 0.00 0.00 177.10 174.20 3d3t s ILE 84 N -1.23 -0.09 -0.45 0.60 1.01 -0.12 -0.38 121.20 120.55 3d3t s ILE 84 Ca 0.55 0.36 -0.19 0.00 0.00 0.00 0.00 60.65 61.37 3d3t s ILE 84 Cb -0.39 -0.13 0.03 0.00 0.01 0.00 0.00 42.46 41.98 3d3t s ILE 84 CO 0.51 0.15 0.55 -0.63 0.00 0.00 0.00 174.94 175.51 3d3t s ILE 85 N 1.79 4.96 0.72 2.92 -1.09 0.10 -0.94 121.20 129.65 3d3t s ILE 85 Ca 0.00 -0.24 -0.05 0.00 -2.23 0.00 0.00 60.65 58.13 3d3t s ILE 85 Cb -0.12 -4.15 0.15 0.00 -1.58 0.00 0.00 42.46 36.75 3d3t s ILE 85 CO -0.03 -0.57 0.98 0.61 -1.23 0.00 0.00 174.94 174.70 3d3t n GLY 86 N 5.10 -0.10 0.24 6.18 0.00 -1.03 -1.80 105.19 113.79 3d3t n GLY 86 Ca -0.05 -1.91 0.11 0.00 0.00 0.00 0.00 46.02 44.17 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 0.00 1.61 3.08 -1.23 -1.53 114.38 116.31 3d3t h ARG 87 Ca -0.32 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.70 3d3t h ARG 87 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 3d3t h ARG 87 CO 0.29 0.17 -0.14 -2.95 -1.07 0.00 0.00 179.97 176.28 3d3t h ASN 88 N 0.00 0.00 0.12 7.04 -1.07 -1.80 -1.53 115.58 118.34 3d3t h ASN 88 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 56.00 3d3t h ASN 88 Cb 0.47 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.68 3d3t h ASN 88 CO 0.02 0.14 -2.17 0.23 0.07 0.00 0.00 177.43 175.72 3d3t n MET 89 N -3.79 0.70 -0.13 4.14 2.81 -0.85 -4.40 117.12 115.60 3d3t n MET 89 Ca -0.02 0.20 -0.03 0.00 -1.81 0.00 0.00 57.70 56.04 3d3t n MET 89 Cb 0.24 -1.64 0.19 0.00 -0.71 0.00 0.00 33.22 31.31 3d3t n MET 89 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3d3t h LEU 90 N 0.03 0.77 -1.35 4.03 3.38 -1.05 -1.87 115.31 119.25 3d3t h LEU 90 Ca -0.47 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.41 3d3t h LEU 90 Cb 2.01 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.52 3d3t h LEU 90 CO 0.02 0.76 0.47 0.71 0.09 0.00 0.00 178.44 180.50 3d3t h THR 91 N 0.80 1.07 0.00 0.22 1.35 -1.51 -1.10 112.91 113.74 3d3t h THR 91 Ca 0.18 -0.28 -0.09 0.00 -0.55 0.00 0.00 66.41 65.66 3d3t h THR 91 Cb 0.30 0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 66.88 3d3t h THR 91 CO -0.00 0.15 -0.44 1.56 -0.25 0.00 0.00 175.52 176.54 3d3t h GLN 92 N 0.82 0.00 -0.21 4.72 4.20 -1.56 -1.75 115.11 121.33 3d3t h GLN 92 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 3d3t h GLN 92 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3d3t h GLN 92 CO -0.09 0.44 0.00 1.28 -0.67 0.00 0.00 178.83 179.79 3d3t n LEU 93 N -3.75 1.18 -2.58 1.46 4.77 -0.67 -4.86 117.00 112.55 3d3t n LEU 93 Ca -0.01 -0.58 -0.21 0.00 -0.03 0.00 0.00 56.01 55.18 3d3t n LEU 93 Cb 0.51 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3d3t n LEU 93 CO 0.39 0.29 -0.18 0.61 -1.33 0.00 0.00 177.39 177.16 3d3t n GLY 94 N 0.88 -0.50 3.71 -0.72 0.00 -0.66 -4.93 105.19 102.97 3d3t n GLY 94 Ca 0.09 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 1.19 2.34 -0.18 0.00 -4.23 -1.26 -4.69 115.64 108.81 3d3t s THR 96 Ca 0.51 -2.06 -0.17 0.00 -1.18 0.00 0.00 61.69 58.79 3d3t s THR 96 Cb -0.21 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 3d3t s THR 96 CO 0.26 -0.15 0.44 -0.76 -0.54 0.00 0.00 174.62 173.87 3d3t s LEU 97 N -2.74 4.18 -0.12 4.79 1.43 -1.26 -5.08 118.68 119.88 3d3t s LEU 97 Ca 0.21 0.61 -0.00 0.00 -1.03 0.00 0.00 54.13 53.92 3d3t s LEU 97 Cb -0.08 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 3d3t s LEU 97 CO 0.10 -0.08 -0.11 0.20 0.23 0.00 0.00 176.35 176.69 3d3t s ASN 98 N 0.95 4.20 0.00 2.29 -0.87 -1.26 -5.29 114.94 114.96 3d3t s ASN 98 Ca 0.21 -0.25 0.00 0.00 -1.57 0.00 0.00 52.86 51.25 3d3t s ASN 98 Cb -0.15 -1.51 0.00 0.00 -0.02 0.00 0.00 41.25 39.58 3d3t s ASN 98 CO 0.09 0.21 0.00 2.22 -2.57 0.00 0.00 177.10 177.04