#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dll n ARG 9 N 0.00 3.52 -0.36 2.89 1.74 -1.26 -4.77 116.66 118.41 3dll n ARG 9 Ca 0.00 0.00 0.31 0.00 -0.77 0.00 0.00 57.85 57.39 3dll n ARG 9 Cb 0.00 -0.64 0.53 0.00 -1.02 0.00 0.00 32.46 31.33 3dll n ARG 9 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3dll n LYS 10 N -0.55 -0.03 0.02 5.56 5.02 -1.26 0.37 118.16 127.29 3dll n LYS 10 Ca 0.00 1.00 -0.13 0.00 -2.02 0.00 0.00 58.31 57.16 3dll n LYS 10 Cb 0.03 -1.96 -0.01 0.00 -0.02 0.00 0.00 35.03 33.08 3dll n LYS 10 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3dll h LEU 11 N 0.00 0.66 0.66 -0.35 6.46 -1.96 1.50 115.31 122.28 3dll h LEU 11 Ca 0.70 -0.44 -0.03 0.00 -0.12 0.00 0.00 57.88 57.99 3dll h LEU 11 Cb 2.21 -0.19 0.01 0.00 -0.73 0.00 0.00 40.66 41.95 3dll h LEU 11 CO -0.39 1.20 -0.32 -0.09 -0.62 0.00 0.00 178.44 178.22 3dll h ARG 12 N 0.37 -0.86 -0.23 1.25 2.43 0.63 0.30 114.38 118.28 3dll h ARG 12 Ca -0.04 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3dll h ARG 12 Cb 1.36 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 31.09 3dll h ARG 12 CO 0.14 -0.57 0.19 1.79 -1.51 0.00 0.00 179.97 180.01 3dll h THR 13 N -1.05 0.71 0.57 0.20 1.35 -0.98 2.76 112.91 116.47 3dll h THR 13 Ca -0.09 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.74 3dll h THR 13 Cb 0.68 0.86 0.01 0.00 -1.73 0.00 0.00 68.15 67.97 3dll h THR 13 CO 0.15 0.00 -0.27 -0.09 -0.25 0.00 0.00 175.52 175.06 3dll h ARG 14 N 0.00 -0.73 -0.05 4.72 2.43 0.26 -2.41 114.38 118.60 3dll h ARG 14 Ca 0.11 0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.15 3dll h ARG 14 Cb 0.48 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3dll h ARG 14 CO -0.00 -0.49 -0.73 0.00 -1.51 0.00 0.00 179.97 177.24 3dll h ARG 15 N -0.80 0.28 -1.00 0.20 2.47 0.32 -2.72 114.38 113.14 3dll h ARG 15 Ca -0.08 -0.24 0.21 0.00 -1.26 0.00 0.00 59.98 58.62 3dll h ARG 15 Cb 0.58 0.05 -0.10 0.00 -1.65 0.00 0.00 29.97 28.85 3dll h ARG 15 CO 0.13 0.89 0.62 -0.22 0.56 0.00 0.00 179.97 181.95 3dll h LYS 16 N 0.19 0.61 0.02 0.04 3.64 0.48 -2.12 116.57 119.44 3dll h LYS 16 Ca -0.03 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 3dll h LYS 16 Cb 1.29 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3dll h LYS 16 CO 0.12 0.40 -0.21 -0.24 -2.27 0.00 0.00 179.45 177.25 3dll h VAL 17 N 0.63 1.70 0.00 2.00 3.04 -1.35 -3.30 116.25 118.97 3dll h VAL 17 Ca 0.58 -2.37 0.00 0.00 -1.01 0.00 0.00 66.70 63.89 3dll h VAL 17 Cb 1.09 3.31 0.00 0.00 -2.01 0.00 0.00 31.29 33.67 3dll h VAL 17 CO -0.35 0.62 0.24 -0.09 -1.01 0.00 0.00 177.57 176.98 3dll h ARG 18 N -0.89 0.00 -6.00 4.17 2.43 -1.08 -3.40 114.38 109.61 3dll h ARG 18 Ca -0.04 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.58 3dll h ARG 18 Cb 1.13 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 3dll h ARG 18 CO 0.02 0.00 1.44 0.99 -1.51 0.00 0.00 179.97 180.91 3dll s THR 19 N -3.41 3.18 -0.84 0.20 2.01 -0.85 -4.80 115.64 111.12 3dll s THR 19 Ca -0.02 0.17 -0.21 0.00 0.31 0.00 0.00 61.69 61.94 3dll s THR 19 Cb 0.05 -3.29 -0.19 0.00 0.01 0.00 0.00 72.50 69.07 3dll s THR 19 CO 0.14 -0.22 2.35 0.41 -0.69 0.00 0.00 174.62 176.62 3dll n THR 20 N 7.65 -0.00 0.00 -0.82 -1.04 -1.26 -4.85 114.28 113.96 3dll n THR 20 Ca 0.28 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 3dll n THR 20 Cb 0.48 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 3dll n THR 20 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3dll n THR 21 N 7.91 0.00 0.88 12.58 -1.04 -1.26 -4.18 114.28 129.17 3dll n THR 21 Ca 0.53 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.54 3dll n THR 21 Cb 0.35 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 3dll n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dll n ALA 22 N -3.00 1.94 0.00 2.41 0.00 -1.26 -2.98 120.51 117.62 3dll n ALA 22 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 3dll n ALA 22 Cb 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 3dll n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll h ALA 23 N 1.88 0.06 0.00 0.00 0.00 -1.96 -3.33 119.26 115.91 3dll h ALA 23 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3dll h ALA 23 Cb 0.02 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3dll h ALA 23 CO 0.00 0.53 -0.05 -1.13 0.00 0.00 0.00 179.25 178.60 3dll n SER 24 N -4.14 0.43 0.00 0.00 3.41 -1.16 -4.91 113.62 107.25 3dll n SER 24 Ca -0.19 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 3dll n SER 24 Cb 0.79 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3dll n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dll n GLY 25 N 1.41 2.81 0.00 5.00 0.00 -1.25 -4.99 105.19 108.17 3dll n GLY 25 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3dll n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dll n ARG 26 N -1.99 1.16 -3.72 1.61 1.74 -1.26 -5.02 116.66 109.18 3dll n ARG 26 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 3dll n ARG 26 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 3dll n ARG 26 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dll s LEU 27 N 0.00 0.41 1.20 0.55 1.02 -1.26 -4.56 118.68 116.03 3dll s LEU 27 Ca 0.00 0.36 -0.19 0.00 0.02 0.00 0.00 54.13 54.32 3dll s LEU 27 Cb 0.00 0.41 0.28 0.00 0.02 0.00 0.00 46.19 46.91 3dll s LEU 27 CO 0.00 -0.18 1.11 0.00 0.02 0.00 0.00 176.35 177.30 3dll s ARG 28 N 1.55 -1.18 -0.30 1.70 1.70 -0.98 -0.59 118.95 120.84 3dll s ARG 28 Ca -0.05 -0.04 -0.01 0.00 -0.47 0.00 0.00 55.73 55.15 3dll s ARG 28 Cb -0.12 -1.60 0.13 0.00 -0.57 0.00 0.00 34.95 32.80 3dll s ARG 28 CO -0.06 -3.69 0.26 -1.17 -1.08 0.00 0.00 175.30 169.56 3dll s LEU 29 N -6.93 0.02 0.00 -1.89 2.96 0.34 -3.16 118.68 110.01 3dll s LEU 29 Ca 0.71 -1.05 -0.12 0.00 -0.22 0.00 0.00 54.13 53.45 3dll s LEU 29 Cb -0.10 0.28 0.18 0.00 0.50 0.00 0.00 46.19 47.05 3dll s LEU 29 CO 0.56 -0.38 1.11 -1.54 -1.32 0.00 0.00 176.35 174.78 3dll n SER 30 N 5.11 0.30 -0.79 3.68 3.41 -0.98 -1.10 113.62 123.25 3dll n SER 30 Ca -0.01 -1.53 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 3dll n SER 30 Cb 0.45 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 3dll n SER 30 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3dll n VAL 31 N -3.44 0.00 -2.04 -3.33 0.24 -1.26 -2.81 118.33 105.69 3dll n VAL 31 Ca 0.15 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.42 3dll n VAL 31 Cb 0.51 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.85 3dll n VAL 31 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dll n TYR 32 N 0.00 0.00 0.00 6.34 9.36 -1.26 -4.73 117.16 126.87 3dll n TYR 32 Ca 0.00 -0.23 0.00 0.00 3.32 0.00 0.00 57.90 60.99 3dll n TYR 32 Cb 0.00 0.29 0.00 0.00 -0.63 0.00 0.00 39.34 39.00 3dll n TYR 32 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3dll n ARG 33 N 0.04 0.00 -0.17 2.98 1.74 -1.26 -3.06 116.66 116.92 3dll n ARG 33 Ca -0.10 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.90 3dll n ARG 33 Cb 0.64 -0.84 0.01 0.00 -1.02 0.00 0.00 32.46 31.25 3dll n ARG 33 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3dll h SER 34 N 0.75 0.65 -0.17 0.55 0.87 -1.92 -3.46 113.55 110.81 3dll h SER 34 Ca 0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 3dll h SER 34 Cb 0.00 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3dll h SER 34 CO 0.00 0.61 0.00 -0.24 -0.53 0.00 0.00 176.83 176.67 3dll n SER 35 N -4.60 0.19 -2.58 6.23 2.88 -1.17 -5.01 113.62 109.56 3dll n SER 35 Ca 0.02 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.23 3dll n SER 35 Cb 0.13 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.60 3dll n SER 35 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3dll n LYS 36 N 0.00 2.53 -2.68 -1.46 4.01 -1.26 -4.42 118.16 114.88 3dll n LYS 36 Ca 0.00 -2.88 -0.05 0.00 -0.51 0.00 0.00 58.31 54.87 3dll n LYS 36 Cb 0.00 -2.16 0.10 0.00 -0.51 0.00 0.00 35.03 32.46 3dll n LYS 36 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 3dll n HIS 37 N -0.02 -1.09 -0.76 2.13 -0.00 -1.26 -4.90 115.22 109.32 3dll n HIS 37 Ca 0.51 -1.12 -0.13 0.00 -0.00 0.00 0.00 57.72 56.99 3dll n HIS 37 Cb 0.44 1.31 0.04 0.00 -0.00 0.00 0.00 29.99 31.77 3dll n HIS 37 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 3dll n ILE 38 N 0.37 0.00 -1.75 3.57 0.13 -1.26 -4.77 119.36 115.65 3dll n ILE 38 Ca -0.04 -0.01 0.00 0.00 -1.10 0.00 0.00 62.75 61.60 3dll n ILE 38 Cb 0.74 -0.11 0.00 0.00 -0.84 0.00 0.00 39.64 39.43 3dll n ILE 38 CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 3dll n TYR 39 N -3.42 0.00 0.00 9.51 4.02 -1.26 -4.34 117.16 121.68 3dll n TYR 39 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3dll n TYR 39 Cb 0.24 0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 3dll n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3dll n ALA 40 N 0.00 0.00 -2.72 -0.72 0.00 -1.26 -4.50 120.51 111.30 3dll n ALA 40 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3dll n ALA 40 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 3dll n ALA 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3dll s GLN 41 N 0.00 4.23 -0.10 0.00 0.74 -1.12 -2.16 119.66 121.24 3dll s GLN 41 Ca 0.00 -0.03 -0.30 0.00 0.05 0.00 0.00 55.36 55.09 3dll s GLN 41 Cb 0.00 -3.43 -0.02 0.00 1.10 0.00 0.00 33.01 30.66 3dll s GLN 41 CO 0.00 0.24 1.06 0.42 -0.55 0.00 0.00 175.29 176.46 3dll s ILE 42 N 0.49 4.65 -0.22 -2.34 -1.09 -1.26 -2.32 121.20 119.10 3dll s ILE 42 Ca 0.13 1.93 0.01 0.00 -2.23 0.00 0.00 60.65 60.49 3dll s ILE 42 Cb -0.12 -4.24 0.05 0.00 -1.58 0.00 0.00 42.46 36.57 3dll s ILE 42 CO 0.02 -0.01 -0.09 0.27 -1.23 0.00 0.00 174.94 173.90 3dll s ILE 43 N 2.16 1.69 -0.43 2.92 -5.25 -1.19 -3.08 121.20 118.02 3dll s ILE 43 Ca 0.50 -1.20 -0.29 0.00 -0.99 0.00 0.00 60.65 58.67 3dll s ILE 43 Cb -0.20 -1.84 0.03 0.00 2.95 0.00 0.00 42.46 43.40 3dll s ILE 43 CO 0.18 0.03 1.11 -0.62 -1.79 0.00 0.00 174.94 173.86 3dll s ASP 44 N 1.34 6.73 0.00 4.36 -1.08 -1.07 -2.31 116.67 124.65 3dll s ASP 44 Ca -0.04 0.65 0.00 0.00 -0.52 0.00 0.00 52.55 52.64 3dll s ASP 44 Cb -0.18 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 3dll s ASP 44 CO -0.07 -1.13 0.18 -0.90 0.52 0.00 0.00 175.17 173.78 3dll n ASP 45 N 7.51 0.00 0.00 -0.34 5.75 -1.26 -3.85 116.55 124.36 3dll n ASP 45 Ca 0.12 0.18 0.00 0.00 -0.01 0.00 0.00 54.79 55.08 3dll n ASP 45 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 3dll n ASP 45 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3dll n SER 46 N -0.47 0.00 -4.33 -1.12 3.41 -1.26 -3.97 113.62 105.88 3dll n SER 46 Ca 0.00 0.00 -0.57 0.00 -0.26 0.00 0.00 58.87 58.04 3dll n SER 46 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 3dll n SER 46 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3dll n ARG 47 N 0.00 0.35 -0.74 4.33 1.85 -1.26 -4.58 116.66 116.62 3dll n ARG 47 Ca 0.00 0.10 -0.38 0.00 -1.00 0.00 0.00 57.85 56.57 3dll n ARG 47 Cb 0.00 -1.81 -0.12 0.00 -1.05 0.00 0.00 32.46 29.49 3dll n ARG 47 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3dll n GLY 48 N 7.05 0.30 3.63 2.89 0.00 -1.25 -4.62 105.19 113.18 3dll n GLY 48 Ca 0.50 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 3dll n GLY 48 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dll s GLN 49 N 7.29 2.01 -0.18 1.61 -0.21 -1.25 -5.06 119.66 123.88 3dll s GLN 49 Ca 0.71 -2.23 -0.06 0.00 0.02 0.00 0.00 55.36 53.80 3dll s GLN 49 Cb 0.11 -1.23 0.08 0.00 1.00 0.00 0.00 33.01 32.97 3dll s GLN 49 CO 0.31 -0.31 0.36 0.95 -2.12 0.00 0.00 175.29 174.48 3dll s THR 50 N -2.98 -0.56 -0.06 -0.19 -4.23 -1.26 -2.58 115.64 103.77 3dll s THR 50 Ca 0.20 0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 60.86 3dll s THR 50 Cb 0.04 -0.59 -0.01 0.00 1.34 0.00 0.00 72.50 73.28 3dll s THR 50 CO 0.10 0.07 -0.08 0.18 -0.54 0.00 0.00 174.62 174.35 3dll n LEU 51 N 5.37 0.83 0.00 4.79 4.32 -1.18 -5.00 117.00 126.14 3dll n LEU 51 Ca -0.07 0.43 0.00 0.00 -0.02 0.00 0.00 56.01 56.35 3dll n LEU 51 Cb 0.50 -0.67 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 3dll n LEU 51 CO 0.01 -0.49 0.00 0.00 -1.22 0.00 0.00 177.39 175.69 3dll n ALA 52 N -2.88 0.00 0.00 -1.18 0.00 -1.26 -4.93 120.51 110.26 3dll n ALA 52 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3dll n ALA 52 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3dll n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll n ALA 53 N -3.00 0.00 -1.72 0.00 0.00 -1.22 -4.48 120.51 110.09 3dll n ALA 53 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3dll n ALA 53 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3dll n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll n ALA 54 N 0.00 2.62 -1.00 0.00 0.00 -0.92 -4.80 120.51 116.41 3dll n ALA 54 Ca 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.23 3dll n ALA 54 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 15.90 3dll n ALA 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dll n SER 55 N 11.02 0.00 0.00 0.00 3.41 -1.26 -4.22 113.62 122.57 3dll n SER 55 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3dll n SER 55 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3dll n SER 55 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3dll n SER 56 N 0.00 0.00 0.27 4.04 2.88 -1.26 -4.43 113.62 115.11 3dll n SER 56 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 3dll n SER 56 Cb 0.00 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.04 3dll n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dll h ALA 57 N 0.00 1.00 -0.72 -1.46 0.00 -1.91 -3.35 119.26 112.82 3dll h ALA 57 Ca 0.00 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 3dll h ALA 57 Cb 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 3dll h ALA 57 CO 0.00 0.01 2.36 0.00 0.00 0.00 0.00 179.25 181.62 3dll n ALA 58 N -2.10 4.17 -1.27 0.00 0.00 -1.26 -4.83 120.51 115.23 3dll n ALA 58 Ca 0.01 -3.92 0.01 0.00 0.00 0.00 0.00 53.44 49.54 3dll n ALA 58 Cb 0.35 -3.51 -0.00 0.00 0.00 0.00 0.00 19.45 16.29 3dll n ALA 58 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dll n LEU 59 N 7.35 -1.33 0.00 0.00 0.00 -1.26 -4.98 117.00 116.78 3dll n LEU 59 Ca 0.48 2.29 0.00 0.00 0.00 0.00 0.00 56.01 58.78 3dll n LEU 59 Cb 0.43 -2.36 0.00 0.00 0.00 0.00 0.00 43.42 41.50 3dll n LEU 59 CO 0.79 -0.72 0.07 2.29 0.00 0.00 0.00 177.39 179.81 3dll n LYS 60 N -2.48 -0.07 0.00 1.96 0.00 -1.26 -4.86 118.16 111.44 3dll n LYS 60 Ca -0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 3dll n LYS 60 Cb 0.40 -0.57 0.00 0.00 -0.00 0.00 0.00 35.03 34.86 3dll n LYS 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3dll n SER 61 N -0.01 0.00 0.00 -5.58 3.41 -1.26 -1.42 113.62 108.76 3dll n SER 61 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3dll n SER 61 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3dll n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dll n GLY 62 N 0.00 0.39 2.84 5.00 0.00 -1.26 -5.04 105.19 107.12 3dll n GLY 62 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3dll n GLY 62 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dll n ASN 63 N 0.00 6.43 0.02 1.61 4.13 -0.51 -4.84 115.26 122.11 3dll n ASN 63 Ca 0.00 -3.35 0.22 0.00 1.68 0.00 0.00 54.58 53.13 3dll n ASN 63 Cb 0.00 -1.32 0.72 0.00 -1.54 0.00 0.00 39.78 37.64 3dll n ASN 63 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 3dll h LYS 64 N 5.20 0.00 0.00 3.52 -0.00 -1.95 1.67 116.57 125.01 3dll h LYS 64 Ca 0.37 0.00 -0.07 0.00 -0.00 0.00 0.00 60.65 60.95 3dll h LYS 64 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.74 3dll h LYS 64 CO 1.41 0.00 -1.50 0.25 -0.00 0.00 0.00 179.45 179.61 3dll n THR 65 N -3.80 0.26 0.72 0.07 -2.24 -1.26 -4.52 114.28 103.51 3dll n THR 65 Ca 0.10 -0.28 0.13 0.00 -2.27 0.00 0.00 64.05 61.73 3dll n THR 65 Cb 0.74 -0.18 0.40 0.00 -2.10 0.00 0.00 70.33 69.19 3dll n THR 65 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3dll n ASP 66 N -2.04 0.59 0.00 3.42 8.00 0.02 -3.34 116.55 123.20 3dll n ASP 66 Ca -0.07 0.42 0.06 0.00 0.71 0.00 0.00 54.79 55.92 3dll n ASP 66 Cb 0.48 -0.49 0.38 0.00 -0.02 0.00 0.00 41.12 41.47 3dll n ASP 66 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3dll n THR 67 N -2.02 0.00 0.00 -3.53 -2.24 0.55 -4.51 114.28 102.54 3dll n THR 67 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3dll n THR 67 Cb 0.41 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 3dll n THR 67 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dll n ALA 68 N -0.79 0.00 -0.19 6.98 0.00 -1.21 -0.69 120.51 124.61 3dll n ALA 68 Ca 0.10 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.69 3dll n ALA 68 Cb 0.04 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.74 3dll n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll n ALA 69 N -2.93 0.52 0.14 0.00 0.00 -1.26 0.38 120.51 117.36 3dll n ALA 69 Ca 0.00 0.29 -0.14 0.00 0.00 0.00 0.00 53.44 53.59 3dll n ALA 69 Cb 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.99 3dll n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll h ALA 70 N 0.52 -0.98 0.00 0.00 0.00 -1.75 0.30 119.26 117.35 3dll h ALA 70 Ca 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3dll h ALA 70 Cb 1.08 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.65 3dll h ALA 70 CO -0.13 -1.06 0.17 -0.24 0.00 0.00 0.00 179.25 177.99 3dll h VAL 71 N -0.70 0.00 0.00 0.00 3.04 0.92 -1.04 116.25 118.47 3dll h VAL 71 Ca -0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 3dll h VAL 71 Cb 0.67 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 3dll h VAL 71 CO -0.19 0.00 -0.17 1.23 -1.01 0.00 0.00 177.57 177.44 3dll h GLY 72 N 0.00 0.00 1.26 3.17 0.00 -0.38 -2.76 103.07 104.36 3dll h GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dll h GLY 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 3dll n LYS 73 N -3.86 0.34 0.05 4.80 4.81 0.25 0.60 118.16 125.16 3dll n LYS 73 Ca -0.02 0.07 -0.21 0.00 -0.87 0.00 0.00 58.31 57.28 3dll n LYS 73 Cb 0.09 -1.50 -0.15 0.00 0.02 0.00 0.00 35.03 33.49 3dll n LYS 73 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3dll h ALA 74 N 2.81 0.27 0.03 3.14 0.00 -1.30 -2.91 119.26 121.30 3dll h ALA 74 Ca 0.00 -1.21 -0.00 0.00 0.00 0.00 0.00 54.91 53.70 3dll h ALA 74 Cb 0.06 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3dll h ALA 74 CO 0.00 1.14 -0.02 1.25 0.00 0.00 0.00 179.25 181.62 3dll h LEU 75 N 0.09 -0.04 -0.95 0.00 5.85 0.47 -1.14 115.31 119.58 3dll h LEU 75 Ca -0.34 -0.61 0.15 0.00 0.84 0.00 0.00 57.88 57.92 3dll h LEU 75 Cb 2.07 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 43.01 3dll h LEU 75 CO 0.15 0.62 0.56 0.00 -0.34 0.00 0.00 178.44 179.44 3dll h ALA 76 N 0.16 1.49 -0.20 1.25 0.00 -0.36 1.41 119.26 123.01 3dll h ALA 76 Ca -0.00 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3dll h ALA 76 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3dll h ALA 76 CO 0.01 0.04 -0.40 0.00 0.00 0.00 0.00 179.25 178.90 3dll h ALA 77 N 1.58 0.94 -0.71 0.00 0.00 -1.55 -2.83 119.26 116.69 3dll h ALA 77 Ca 0.51 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dll h ALA 77 Cb 0.67 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3dll h ALA 77 CO -0.33 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.55 3dll n ALA 78 N -2.49 -0.25 0.03 0.00 0.00 0.46 -1.25 120.51 117.01 3dll n ALA 78 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.43 3dll n ALA 78 Cb 0.50 0.16 0.04 0.00 0.00 0.00 0.00 19.45 20.14 3dll n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll n ALA 79 N -1.95 0.35 -0.02 0.00 0.00 0.44 -1.14 120.51 118.19 3dll n ALA 79 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 3dll n ALA 79 Cb 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 3dll n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll h ALA 80 N 0.70 -0.72 0.00 0.00 0.00 -0.92 2.64 119.26 120.97 3dll h ALA 80 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dll h ALA 80 Cb 0.70 0.91 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3dll h ALA 80 CO 0.00 -1.00 0.00 0.39 0.00 0.00 0.00 179.25 178.64 3dll n GLU 81 N -5.43 0.39 0.00 0.00 1.02 -0.29 0.06 120.64 116.39 3dll n GLU 81 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3dll n GLU 81 Cb 0.37 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 3dll n GLU 81 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3dll n LYS 82 N 1.31 0.41 -2.03 3.49 4.76 0.57 -5.04 118.16 121.64 3dll n LYS 82 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 3dll n LYS 82 Cb 0.20 -0.19 -0.04 0.00 -1.84 0.00 0.00 35.03 33.16 3dll n LYS 82 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dll n GLY 83 N -0.10 0.47 2.01 0.72 0.00 0.76 -4.81 105.19 104.24 3dll n GLY 83 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3dll n GLY 83 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dll n ILE 84 N -3.12 0.91 -0.17 -0.61 5.41 -1.24 -4.60 119.36 115.95 3dll n ILE 84 Ca -0.20 -0.34 0.21 0.00 1.00 0.00 0.00 62.75 63.42 3dll n ILE 84 Cb 0.64 -1.39 0.33 0.00 -0.71 0.00 0.00 39.64 38.51 3dll n ILE 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3dll n LYS 85 N 2.21 0.01 -5.07 0.38 4.81 -1.26 -4.20 118.16 115.04 3dll n LYS 85 Ca 0.06 0.77 -0.32 0.00 -0.87 0.00 0.00 58.31 57.96 3dll n LYS 85 Cb 0.25 -1.92 -0.16 0.00 0.02 0.00 0.00 35.03 33.22 3dll n LYS 85 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3dll s GLN 86 N -3.86 3.05 -0.25 1.64 -1.52 -1.26 -5.10 119.66 112.35 3dll s GLN 86 Ca -0.02 -0.81 -0.28 0.00 -1.95 0.00 0.00 55.36 52.30 3dll s GLN 86 Cb 0.11 -2.39 0.17 0.00 -0.22 0.00 0.00 33.01 30.68 3dll s GLN 86 CO 0.36 0.25 1.25 0.08 -0.25 0.00 0.00 175.29 176.97 3dll s VAL 87 N 0.20 0.00 -0.13 1.09 1.01 -1.26 -4.48 120.40 116.83 3dll s VAL 87 Ca -0.12 0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.87 3dll s VAL 87 Cb -0.16 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 3dll s VAL 87 CO 0.07 0.00 -0.18 -0.69 0.00 0.00 0.00 175.10 174.29 3dll s VAL 88 N -0.71 2.45 0.87 2.92 1.01 0.24 -4.96 120.40 122.23 3dll s VAL 88 Ca 0.05 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 3dll s VAL 88 Cb -0.02 -2.00 0.12 0.00 0.00 0.00 0.00 36.38 34.48 3dll s VAL 88 CO -0.07 0.53 1.18 0.72 0.00 0.00 0.00 175.10 177.47 3dll s PHE 89 N 0.62 2.58 -0.30 5.22 -0.12 -1.26 0.13 117.98 124.85 3dll s PHE 89 Ca -0.10 0.73 -0.05 0.00 -0.05 0.00 0.00 56.93 57.46 3dll s PHE 89 Cb -0.16 -3.53 0.19 0.00 -0.63 0.00 0.00 43.02 38.89 3dll s PHE 89 CO 0.03 -2.14 0.83 0.16 -0.05 0.00 0.00 175.22 174.05 3dll s ASP 90 N -4.40 -0.95 0.16 1.98 -4.77 -0.26 -4.60 116.67 103.85 3dll s ASP 90 Ca 0.64 0.35 0.00 0.00 -3.30 0.00 0.00 52.55 50.24 3dll s ASP 90 Cb -0.12 1.70 0.00 0.00 -1.09 0.00 0.00 42.92 43.41 3dll s ASP 90 CO 0.51 -0.17 0.00 -2.11 0.70 0.00 0.00 175.17 174.10 3dll n ARG 91 N 5.37 0.97 -0.54 2.11 0.00 -1.26 -4.30 116.66 119.00 3dll n ARG 91 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.85 3dll n ARG 91 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 32.99 3dll n ARG 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3dll n GLY 92 N 0.00 0.95 0.00 2.89 0.00 -1.26 -4.80 105.19 102.97 3dll n GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dll n GLY 92 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dll n SER 93 N 0.00 0.00 -4.21 1.61 7.64 -1.26 -4.39 113.62 113.01 3dll n SER 93 Ca -0.03 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.50 3dll n SER 93 Cb 0.51 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.58 3dll n SER 93 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3dll s TYR 94 N 0.00 3.25 0.00 1.43 1.51 -1.26 -4.99 117.35 117.29 3dll s TYR 94 Ca 0.00 -1.71 0.00 0.00 -1.01 0.00 0.00 57.07 54.35 3dll s TYR 94 Cb 0.00 -2.16 0.00 0.00 -0.11 0.00 0.00 41.96 39.69 3dll s TYR 94 CO 0.00 -0.77 0.07 1.63 -1.11 0.00 0.00 175.55 175.36 3dll n LYS 95 N 4.68 0.00 -1.74 -0.62 5.02 -1.26 -4.55 118.16 119.69 3dll n LYS 95 Ca -0.13 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.15 3dll n LYS 95 Cb 0.44 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.68 3dll n LYS 95 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3dll n TYR 96 N 1.58 -0.05 0.00 2.13 9.36 -1.26 -4.88 117.16 124.04 3dll n TYR 96 Ca 0.00 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.24 3dll n TYR 96 Cb 0.00 -0.04 0.00 0.00 -0.63 0.00 0.00 39.34 38.67 3dll n TYR 96 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 3dll n HIS 97 N -0.26 0.00 0.00 2.98 -0.00 -1.26 -4.76 115.22 111.92 3dll n HIS 97 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3dll n HIS 97 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.00 3dll n HIS 97 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3dll n GLY 98 N 4.28 -0.16 0.09 1.57 0.00 -1.26 -3.63 105.19 106.08 3dll n GLY 98 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3dll n GLY 98 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3dll n ARG 99 N -1.44 -0.10 -0.17 1.61 1.85 -1.26 0.15 116.66 117.30 3dll n ARG 99 Ca 0.00 0.59 -0.09 0.00 -1.00 0.00 0.00 57.85 57.35 3dll n ARG 99 Cb 0.00 -0.87 0.01 0.00 -1.05 0.00 0.00 32.46 30.55 3dll n ARG 99 CO 0.00 0.00 0.00 -0.24 -0.01 0.00 0.00 177.63 177.38 3dll h VAL 100 N 0.00 1.23 -0.76 8.89 3.04 -1.95 -2.70 116.25 124.01 3dll h VAL 100 Ca 0.04 -0.78 0.15 0.00 -1.01 0.00 0.00 66.70 65.09 3dll h VAL 100 Cb 0.09 0.82 -0.10 0.00 -2.01 0.00 0.00 31.29 30.10 3dll h VAL 100 CO -0.21 0.28 0.29 0.50 -1.01 0.00 0.00 177.57 177.43 3dll h LYS 101 N 0.65 0.41 0.00 4.17 3.64 0.13 -2.93 116.57 122.64 3dll h LYS 101 Ca 0.16 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3dll h LYS 101 Cb 0.29 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3dll h LYS 101 CO -0.00 0.27 0.00 0.00 -2.27 0.00 0.00 179.45 177.45 3dll n ALA 102 N -2.53 -0.00 -0.30 5.00 0.00 0.64 0.74 120.51 124.06 3dll n ALA 102 Ca 0.15 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.85 3dll n ALA 102 Cb 0.43 0.20 0.44 0.00 0.00 0.00 0.00 19.45 20.52 3dll n ALA 102 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dll n LEU 103 N -0.95 0.15 0.12 0.00 0.00 -1.15 0.29 117.00 115.45 3dll n LEU 103 Ca 0.00 0.95 -0.09 0.00 0.00 0.00 0.00 56.01 56.87 3dll n LEU 103 Cb 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 43.42 42.90 3dll n LEU 103 CO 0.00 -1.04 0.31 0.00 0.00 0.00 0.00 177.39 176.66 3dll h ALA 104 N 1.10 -0.38 -0.19 1.96 0.00 -0.93 0.99 119.26 121.81 3dll h ALA 104 Ca 0.58 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.38 3dll h ALA 104 Cb 1.83 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.70 3dll h ALA 104 CO -0.34 -0.40 -0.25 -0.44 0.00 0.00 0.00 179.25 177.81 3dll h ASP 105 N -1.00 -0.80 0.00 0.00 3.32 1.03 0.84 116.42 119.82 3dll h ASP 105 Ca -0.04 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3dll h ASP 105 Cb 0.46 0.36 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3dll h ASP 105 CO 0.06 -0.29 0.00 0.00 -1.72 0.00 0.00 179.24 177.29 3dll n ALA 106 N -2.78 -0.06 -0.30 3.45 0.00 0.72 0.08 120.51 121.62 3dll n ALA 106 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 3dll n ALA 106 Cb 0.29 0.19 0.14 0.00 0.00 0.00 0.00 19.45 20.06 3dll n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll h ALA 107 N -1.83 0.66 0.01 0.00 0.00 0.12 1.96 119.26 120.18 3dll h ALA 107 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3dll h ALA 107 Cb 0.00 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3dll h ALA 107 CO 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 179.25 178.81 3dll h ARG 108 N 0.02 -0.03 0.00 0.00 -0.00 1.00 0.27 114.38 115.63 3dll h ARG 108 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.91 3dll h ARG 108 Cb 0.70 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.68 3dll h ARG 108 CO -0.85 -0.02 0.15 1.49 0.00 0.00 0.00 179.97 180.74 3dll h GLU 109 N -0.04 0.00 -0.05 0.04 4.81 0.11 0.65 114.58 120.11 3dll h GLU 109 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3dll h GLU 109 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3dll h GLU 109 CO -0.01 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.68 3dll n GLY 110 N -1.24 -0.71 0.00 1.92 0.00 0.65 -5.06 105.19 100.75 3dll n GLY 110 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3dll n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93