#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3duk s SER 2 N 0.00 0.08 0.00 1.61 0.15 -1.26 -5.23 113.70 109.04 3duk s SER 2 Ca 0.00 -0.26 0.21 0.00 0.70 0.00 0.00 55.95 56.60 3duk s SER 2 Cb 0.00 0.18 0.37 0.00 -1.71 0.00 0.00 66.02 64.86 3duk s SER 2 CO 0.00 -0.32 1.33 1.33 1.20 0.00 0.00 173.24 176.77 3duk n VAL 3 N 1.62 0.48 -1.68 4.45 0.24 -1.26 -4.59 118.33 117.58 3duk n VAL 3 Ca -0.22 -0.74 -0.50 0.00 -2.04 0.00 0.00 64.34 60.84 3duk n VAL 3 Cb 0.56 0.99 -0.05 0.00 -1.47 0.00 0.00 33.84 33.87 3duk n VAL 3 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3duk n LYS 4 N 1.32 1.96 -2.06 7.34 4.81 -1.26 -4.58 118.16 125.69 3duk n LYS 4 Ca 0.17 0.72 -0.42 0.00 -0.87 0.00 0.00 58.31 57.90 3duk n LYS 4 Cb 0.56 -2.52 -0.03 0.00 0.02 0.00 0.00 35.03 33.07 3duk n LYS 4 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3duk s VAL 5 N 3.54 3.66 0.12 3.15 1.01 -1.26 -4.99 120.40 125.63 3duk s VAL 5 Ca 0.92 0.79 0.07 0.00 0.00 0.00 0.00 61.98 63.76 3duk s VAL 5 Cb -0.77 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3duk s VAL 5 CO 0.53 -0.10 -0.07 -0.94 0.00 0.00 0.00 175.10 174.52 3duk s SER 6 N 3.42 4.57 0.61 3.32 1.04 -1.26 -5.01 113.70 120.39 3duk s SER 6 Ca 0.72 -0.36 0.33 0.00 0.48 0.00 0.00 55.95 57.12 3duk s SER 6 Cb -0.31 -0.93 1.96 0.00 0.10 0.00 0.00 66.02 66.84 3duk s SER 6 CO 0.28 0.16 2.28 0.58 0.98 0.00 0.00 173.24 177.52 3duk h VAL 7 N 3.04 0.41 -0.07 5.02 2.07 -1.99 -2.46 116.25 122.27 3duk h VAL 7 Ca -0.48 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3duk h VAL 7 Cb 1.17 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3duk h VAL 7 CO 0.55 0.00 0.01 -0.78 0.02 0.00 0.00 177.57 177.37 3duk h ASP 8 N 0.00 0.12 0.19 0.57 3.58 -1.99 -1.70 116.42 117.20 3duk h ASP 8 Ca -0.00 -0.28 -0.15 0.00 0.42 0.00 0.00 57.03 57.02 3duk h ASP 8 Cb 0.01 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 3duk h ASP 8 CO 0.00 0.37 -0.55 0.44 -2.88 0.00 0.00 179.24 176.62 3duk h ASP 9 N -0.13 0.43 -0.07 2.28 3.32 -1.89 -1.76 116.42 118.60 3duk h ASP 9 Ca 0.02 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 3duk h ASP 9 Cb 0.31 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3duk h ASP 9 CO 0.00 0.90 0.01 0.40 -1.72 0.00 0.00 179.24 178.82 3duk h ILE 10 N 0.30 1.09 0.00 0.35 2.04 -1.40 -1.34 117.51 118.55 3duk h ILE 10 Ca 0.00 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 3duk h ILE 10 Cb 1.06 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 3duk h ILE 10 CO 0.09 0.11 -0.85 0.44 0.00 0.00 0.00 178.15 177.95 3duk h ASP 11 N 0.19 0.00 0.11 1.72 3.32 -0.82 -2.46 116.42 118.49 3duk h ASP 11 Ca 0.05 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.81 3duk h ASP 11 Cb 0.13 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.70 3duk h ASP 11 CO 0.00 0.54 -1.18 1.23 -1.72 0.00 0.00 179.24 178.12 3duk h GLY 12 N 3.56 0.71 1.52 2.75 0.00 -0.92 -2.01 103.07 108.68 3duk h GLY 12 Ca -0.06 -1.41 -0.15 0.00 0.00 0.00 0.00 47.33 45.72 3duk h GLY 12 CO 0.06 1.24 -0.51 -2.22 0.00 0.00 0.00 176.54 175.11 3duk h ILE 13 N 0.31 1.32 -0.28 2.60 2.04 -1.35 -2.34 117.51 119.81 3duk h ILE 13 Ca -0.17 -1.74 -0.12 0.00 1.00 0.00 0.00 64.86 63.83 3duk h ILE 13 Cb 1.84 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.65 3duk h ILE 13 CO 0.23 0.54 -0.34 0.74 0.00 0.00 0.00 178.15 179.31 3duk h THR 14 N 0.40 1.29 0.47 -0.27 2.02 -1.49 -2.21 112.91 113.11 3duk h THR 14 Ca 0.02 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.71 3duk h THR 14 Cb 1.03 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 3duk h THR 14 CO 0.09 0.47 -0.42 -0.33 0.37 0.00 0.00 175.52 175.71 3duk h GLU 15 N 0.52 -0.85 -0.57 6.66 5.08 -1.07 -0.50 114.58 123.84 3duk h GLU 15 Ca 0.06 0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3duk h GLU 15 Cb 0.84 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 3duk h GLU 15 CO 0.07 -0.57 0.07 -0.24 -1.00 0.00 0.00 179.01 177.34 3duk h VAL 16 N -0.88 1.25 -0.08 3.13 3.04 -1.44 -2.17 116.25 119.09 3duk h VAL 16 Ca -0.05 -0.99 -0.07 0.00 -1.01 0.00 0.00 66.70 64.59 3duk h VAL 16 Cb 0.77 0.73 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 3duk h VAL 16 CO -0.03 0.36 -0.25 -0.07 -1.01 0.00 0.00 177.57 176.56 3duk h LEU 17 N 0.88 0.14 -0.90 3.16 3.38 -1.32 -2.21 115.31 118.44 3duk h LEU 17 Ca 0.18 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3duk h LEU 17 Cb 0.42 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3duk h LEU 17 CO 0.01 0.40 -0.45 0.78 0.09 0.00 0.00 178.44 179.27 3duk h ASN 18 N 0.13 0.22 0.25 -0.43 2.35 -0.47 -2.73 115.58 114.90 3duk h ASN 18 Ca 0.02 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 3duk h ASN 18 Cb 0.52 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3duk h ASN 18 CO 0.04 0.65 -0.24 0.58 -1.65 0.00 0.00 177.43 176.81 3duk h VAL 19 N 0.17 1.16 0.00 2.81 2.07 -0.96 0.13 116.25 121.63 3duk h VAL 19 Ca 0.01 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3duk h VAL 19 Cb 0.87 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3duk h VAL 19 CO 0.07 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.89 3duk n TYR 20 N -4.23 0.00 0.00 1.57 9.36 -1.03 -2.40 117.16 120.43 3duk n TYR 20 Ca -0.02 -0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.18 3duk n TYR 20 Cb 0.29 -0.10 0.00 0.00 -0.63 0.00 0.00 39.34 38.90 3duk n TYR 20 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3duk n ASN 22 N 0.01 0.00 0.18 2.98 3.02 0.03 -0.91 115.26 120.58 3duk n ASN 22 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.59 3duk n ASN 22 Cb 0.26 0.00 0.34 0.00 -0.61 0.00 0.00 39.78 39.76 3duk n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3duk h ALA 23 N 0.00 1.07 0.00 5.41 0.00 -1.69 0.11 119.26 124.15 3duk h ALA 23 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3duk h ALA 23 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3duk h ALA 23 CO 0.00 0.50 -0.20 0.00 0.00 0.00 0.00 179.25 179.55 3duk h ALA 24 N 1.60 0.97 0.02 0.00 0.00 -1.29 -1.78 119.26 118.78 3duk h ALA 24 Ca -0.00 -0.18 -0.38 0.00 0.00 0.00 0.00 54.91 54.34 3duk h ALA 24 Cb 0.86 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 3duk h ALA 24 CO 0.05 0.25 -2.37 -1.91 0.00 0.00 0.00 179.25 175.28 3duk n GLU 25 N -3.29 0.67 0.00 0.00 2.13 -0.90 -1.80 120.64 117.45 3duk n GLU 25 Ca 0.01 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.98 3duk n GLU 25 Cb 0.46 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.61 3duk n GLU 25 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 3duk n SER 26 N -3.24 0.07 -4.85 4.31 7.64 -0.02 -3.39 113.62 114.13 3duk n SER 26 Ca -0.42 -0.90 -0.30 0.00 1.01 0.00 0.00 58.87 58.26 3duk n SER 26 Cb 1.02 0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 64.19 3duk n SER 26 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3duk s GLY 27 N -0.01 2.76 0.53 0.23 0.00 -0.67 -4.97 107.32 105.20 3duk s GLY 27 Ca 0.00 -0.58 0.09 0.00 0.00 0.00 0.00 44.72 44.23 3duk s GLY 27 CO 0.00 -2.09 0.74 -1.30 0.00 0.00 0.00 173.10 170.45 3duk n THR 28 N -1.56 0.00 0.15 0.90 -2.24 -1.26 -4.52 114.28 105.74 3duk n THR 28 Ca -0.12 -1.77 -0.00 0.00 -2.27 0.00 0.00 64.05 59.89 3duk n THR 28 Cb 0.66 -0.56 0.25 0.00 -2.10 0.00 0.00 70.33 68.57 3duk n THR 28 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3duk h GLY 29 N 0.08 0.04 1.64 3.38 0.00 -1.85 -2.94 103.07 103.42 3duk h GLY 29 Ca -0.25 -0.04 -0.18 0.00 0.00 0.00 0.00 47.33 46.86 3duk h GLY 29 CO 0.35 0.04 -0.73 1.05 0.00 0.00 0.00 176.54 177.25 3duk h GLU 30 N 0.03 0.35 -1.46 4.80 -0.00 -1.95 -1.09 114.58 115.26 3duk h GLU 30 Ca -0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 59.36 59.07 3duk h GLU 30 Cb 0.89 0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.70 3duk h GLU 30 CO 0.07 0.94 0.00 0.39 -0.00 0.00 0.00 179.01 180.41 3duk n GLU 31 N -3.82 0.61 0.00 1.06 1.02 -1.11 -3.44 120.64 114.96 3duk n GLU 31 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3duk n GLU 31 Cb 0.71 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 3duk n GLU 31 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3duk n SER 33 N 0.81 0.00 0.32 1.62 2.88 -0.42 -4.44 113.62 114.39 3duk n SER 33 Ca 0.00 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.75 3duk n SER 33 Cb 0.30 -0.01 1.07 0.00 -0.75 0.00 0.00 64.21 64.83 3duk n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3duk h ALA 34 N 0.00 1.07 -0.05 -1.46 0.00 -1.86 -1.36 119.26 115.60 3duk h ALA 34 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3duk h ALA 34 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3duk h ALA 34 CO 0.00 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.26 3duk n ALA 35 N -2.12 2.50 -2.44 0.00 0.00 -1.26 -4.94 120.51 112.25 3duk n ALA 35 Ca -0.02 -0.62 -0.27 0.00 0.00 0.00 0.00 53.44 52.52 3duk n ALA 35 Cb 0.12 -0.94 -0.14 0.00 0.00 0.00 0.00 19.45 18.49 3duk n ALA 35 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3duk s PHE 36 N -1.96 2.04 0.83 0.00 0.40 -0.51 -1.86 117.98 116.93 3duk s PHE 36 Ca 0.32 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 56.14 3duk s PHE 36 Cb 0.20 -1.18 0.10 0.00 0.51 0.00 0.00 43.02 42.65 3duk s PHE 36 CO 0.31 0.16 1.15 -1.58 0.70 0.00 0.00 175.22 175.97 3duk s HIS 37 N -0.90 1.93 0.50 0.36 5.65 -0.71 -4.89 115.29 117.23 3duk s HIS 37 Ca 0.10 1.70 0.24 0.00 0.25 0.00 0.00 55.06 57.34 3duk s HIS 37 Cb -0.10 -3.32 1.47 0.00 -1.18 0.00 0.00 32.58 29.46 3duk s HIS 37 CO 0.03 -2.55 2.14 1.57 -0.65 0.00 0.00 174.74 175.28 3duk h LYS 38 N -1.27 0.00 -0.17 2.88 -0.00 -1.93 -2.70 116.57 113.37 3duk h LYS 38 Ca -0.44 0.00 -0.10 0.00 -0.00 0.00 0.00 60.65 60.11 3duk h LYS 38 Cb 1.27 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.43 3duk h LYS 38 CO 0.46 0.07 -0.38 -0.25 -0.00 0.00 0.00 179.45 179.35 3duk n ASP 39 N -3.98 2.20 -4.72 7.07 8.00 -1.26 -5.02 116.55 118.84 3duk n ASP 39 Ca -0.03 -3.87 -0.31 0.00 0.71 0.00 0.00 54.79 51.30 3duk n ASP 39 Cb 0.16 -0.56 0.12 0.00 -0.02 0.00 0.00 41.12 40.83 3duk n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3duk s ALA 40 N -3.28 1.90 0.20 2.24 0.00 -1.02 -5.00 121.76 116.81 3duk s ALA 40 Ca 0.41 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.91 3duk s ALA 40 Cb 0.39 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 3duk s ALA 40 CO -0.04 -2.20 -0.12 0.95 0.00 0.00 0.00 175.76 174.35 3duk s THR 41 N -2.69 1.52 -0.14 0.00 -4.23 -1.08 -3.59 115.64 105.42 3duk s THR 41 Ca 0.65 -2.15 -0.06 0.00 -1.18 0.00 0.00 61.69 58.95 3duk s THR 41 Cb -0.21 -2.04 0.07 0.00 1.34 0.00 0.00 72.50 71.66 3duk s THR 41 CO 0.55 -0.60 0.30 -0.51 -0.54 0.00 0.00 174.62 173.83 3duk s ILE 42 N -3.11 -0.35 0.09 2.99 2.07 0.04 -1.24 121.20 121.69 3duk s ILE 42 Ca 0.22 0.22 0.09 0.00 -1.41 0.00 0.00 60.65 59.77 3duk s ILE 42 Cb 0.01 -0.49 -0.04 0.00 0.13 0.00 0.00 42.46 42.07 3duk s ILE 42 CO 0.06 0.09 -0.24 -0.36 -1.91 0.00 0.00 174.94 172.58 3duk s PHE 43 N 2.14 2.40 0.00 3.50 0.40 -0.87 -1.26 117.98 124.28 3duk s PHE 43 Ca -0.02 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 3duk s PHE 43 Cb -0.11 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.07 3duk s PHE 43 CO -0.10 0.27 0.00 0.41 0.70 0.00 0.00 175.22 176.50 3duk n GLY 44 N 1.26 1.62 3.84 4.36 0.00 -0.56 -2.73 105.19 112.97 3duk n GLY 44 Ca -0.17 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 3duk n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3duk s TYR 45 N -1.87 3.55 -0.51 1.61 2.02 -1.26 -2.43 117.35 118.46 3duk s TYR 45 Ca 0.00 0.48 0.01 0.00 -0.37 0.00 0.00 57.07 57.19 3duk s TYR 45 Cb 0.00 -2.00 0.13 0.00 -0.40 0.00 0.00 41.96 39.69 3duk s TYR 45 CO 0.00 0.62 0.27 0.08 -1.57 0.00 0.00 175.55 174.96 3duk s VAL 46 N -0.67 2.96 0.00 0.71 1.01 -0.38 -4.51 120.40 119.52 3duk s VAL 46 Ca 0.13 -2.92 0.00 0.00 0.00 0.00 0.00 61.98 59.19 3duk s VAL 46 Cb -0.12 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3duk s VAL 46 CO 0.02 -0.78 0.00 0.61 0.00 0.00 0.00 175.10 174.96 3duk n GLY 47 N 3.57 0.34 0.05 4.51 0.00 -1.26 -3.46 105.19 108.94 3duk n GLY 47 Ca 0.05 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.37 3duk n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3duk n ASP 48 N 5.64 0.63 -4.78 1.61 5.75 -1.26 -4.88 116.55 119.27 3duk n ASP 48 Ca 0.00 0.02 -0.38 0.00 -0.01 0.00 0.00 54.79 54.41 3duk n ASP 48 Cb 0.00 0.22 -0.06 0.00 -1.03 0.00 0.00 41.12 40.26 3duk n ASP 48 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3duk s LYS 49 N -3.13 4.23 -1.32 0.11 0.00 -1.22 -4.99 119.74 113.42 3duk s LYS 49 Ca 0.07 0.63 -0.15 0.00 0.00 0.00 0.00 55.97 56.52 3duk s LYS 49 Cb 0.14 -3.32 0.09 0.00 0.00 0.00 0.00 37.83 34.75 3duk s LYS 49 CO 0.72 0.43 1.81 -0.11 0.00 0.00 0.00 175.35 178.21 3duk n LEU 50 N 2.56 5.66 -0.36 2.77 7.94 -1.26 -1.25 117.00 133.07 3duk n LEU 50 Ca -0.09 -4.17 0.05 0.00 -1.11 0.00 0.00 56.01 50.69 3duk n LEU 50 Cb 0.51 -1.67 0.21 0.00 0.53 0.00 0.00 43.42 43.00 3duk n LEU 50 CO 0.42 0.64 1.24 0.00 -1.11 0.00 0.00 177.39 178.58 3duk h ALA 51 N 6.89 1.43 -2.95 1.96 0.00 -1.83 -3.36 119.26 121.40 3duk h ALA 51 Ca 0.45 0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.69 3duk h ALA 51 Cb 0.79 -0.24 -0.24 0.00 0.00 0.00 0.00 17.79 18.10 3duk h ALA 51 CO 1.54 0.29 -0.61 -0.06 0.00 0.00 0.00 179.25 180.42 3duk s PHE 52 N -6.00 3.13 -0.11 0.00 0.40 -1.02 -4.97 117.98 109.42 3duk s PHE 52 Ca -0.12 -0.71 0.16 0.00 -0.60 0.00 0.00 56.93 55.67 3duk s PHE 52 Cb 0.21 -2.27 0.37 0.00 0.51 0.00 0.00 43.02 41.84 3duk s PHE 52 CO 0.81 -0.48 1.18 0.27 0.70 0.00 0.00 175.22 177.69 3duk n ASN 53 N 4.91 1.36 0.00 1.36 0.23 -1.21 -1.49 115.26 120.42 3duk n ASN 53 Ca -0.15 -2.95 0.00 0.00 -0.53 0.00 0.00 54.58 50.95 3duk n ASN 53 Cb 0.49 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 3duk n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3duk n GLY 54 N -0.45 1.43 3.66 4.83 0.00 -0.39 -4.97 105.19 109.30 3duk n GLY 54 Ca 0.12 -0.25 -0.53 0.00 0.00 0.00 0.00 46.02 45.36 3duk n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3duk n PRO 55 N 0.00 1.42 0.17 1.61 -0.02 -1.26 -0.78 135.00 136.14 3duk n PRO 55 Ca 0.00 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.13 3duk n PRO 55 Cb 0.00 -2.22 0.38 0.00 -0.02 0.00 0.00 33.50 31.64 3duk n PRO 55 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3duk h ILE 56 N 4.40 0.00 -0.90 4.25 6.09 -1.90 -2.88 117.51 126.58 3duk h ILE 56 Ca -0.47 -0.61 0.17 0.00 -1.37 0.00 0.00 64.86 62.58 3duk h ILE 56 Cb 1.31 1.57 -0.07 0.00 0.47 0.00 0.00 36.82 40.09 3duk h ILE 56 CO 0.89 0.00 0.58 0.50 -3.07 0.00 0.00 178.15 177.05 3duk h LYS 57 N 0.00 0.57 -0.45 2.19 3.64 -1.88 -1.94 116.57 118.70 3duk h LYS 57 Ca 0.00 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3duk h LYS 57 Cb 0.73 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 3duk h LYS 57 CO 0.00 0.38 0.10 -0.44 -2.27 0.00 0.00 179.45 177.22 3duk h ASP 58 N 0.59 0.64 -0.22 4.20 3.32 -1.89 -1.48 116.42 121.58 3duk h ASP 58 Ca 0.46 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 3duk h ASP 58 Cb 0.89 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3duk h ASP 58 CO -0.21 0.64 0.04 0.25 -1.72 0.00 0.00 179.24 178.24 3duk h LEU 59 N 0.67 0.34 -1.10 1.55 5.85 -1.53 -0.96 115.31 120.14 3duk h LEU 59 Ca 0.15 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 3duk h LEU 59 Cb 0.27 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3duk h LEU 59 CO -0.00 0.51 -0.19 1.88 -0.34 0.00 0.00 178.44 180.30 3duk h TYR 60 N 0.16 0.45 -0.39 1.25 0.05 -1.42 -1.52 116.97 115.56 3duk h TYR 60 Ca 0.07 -0.08 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 3duk h TYR 60 Cb 0.31 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3duk h TYR 60 CO 0.02 0.58 -0.10 -0.44 -1.05 0.00 0.00 178.16 177.17 3duk h ASP 61 N 0.38 0.75 1.11 3.88 3.32 -1.13 -2.50 116.42 122.22 3duk h ASP 61 Ca 0.06 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.70 3duk h ASP 61 Cb 0.55 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3duk h ASP 61 CO 0.04 0.94 -0.23 -0.25 -1.72 0.00 0.00 179.24 178.02 3duk h TRP 62 N 0.55 0.00 0.00 4.55 7.01 -0.85 -2.08 115.95 125.14 3duk h TRP 62 Ca 0.10 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 60.99 3duk h TRP 62 Cb 0.62 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.66 3duk h TRP 62 CO 0.05 0.23 -0.91 1.25 -2.79 0.00 0.00 178.44 176.27 3duk h HIS 63 N 0.00 0.00 -0.02 2.65 2.76 -1.23 -0.93 115.15 118.38 3duk h HIS 63 Ca -0.00 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.96 3duk h HIS 63 Cb 0.85 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.83 3duk h HIS 63 CO 0.00 0.42 -0.81 -0.91 -1.30 0.00 0.00 177.93 175.33 3duk h ASN 64 N 0.00 0.75 0.20 3.26 2.35 -1.25 -1.26 115.58 119.62 3duk h ASN 64 Ca -0.07 -0.73 -0.01 0.00 -0.55 0.00 0.00 56.30 54.94 3duk h ASN 64 Cb 1.38 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.53 3duk h ASN 64 CO 0.04 1.38 -0.10 0.28 -1.65 0.00 0.00 177.43 177.39 3duk h SER 65 N 0.19 -0.23 0.22 5.81 0.02 -1.44 -3.25 113.55 114.88 3duk h SER 65 Ca -0.10 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.53 3duk h SER 65 Cb 1.49 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.08 3duk h SER 65 CO 0.16 0.15 -0.30 -1.13 -1.14 0.00 0.00 176.83 174.57 3duk h ASN 66 N -0.64 0.13 -4.12 3.07 -1.24 -1.29 -3.49 115.58 108.00 3duk h ASN 66 Ca -0.03 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.94 3duk h ASN 66 Cb 0.46 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.48 3duk h ASN 66 CO 0.05 0.44 0.00 0.61 -1.29 0.00 0.00 177.43 177.23 3duk n GLY 67 N -0.54 -1.49 3.77 1.57 0.00 -0.48 -4.93 105.19 103.09 3duk n GLY 67 Ca -0.01 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 3duk n GLY 67 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3duk s PRO 68 N -1.87 4.16 -1.03 1.61 0.02 -1.26 -4.88 135.00 131.76 3duk s PRO 68 Ca 0.00 2.28 -0.14 0.00 0.02 0.00 0.00 61.00 63.16 3duk s PRO 68 Cb 0.00 -2.94 0.19 0.00 0.02 0.00 0.00 34.50 31.78 3duk s PRO 68 CO 0.00 -0.37 1.14 0.00 -0.33 0.00 0.00 177.00 177.44 3duk s ALA 69 N -1.18 4.02 0.56 -1.55 0.00 -0.75 -4.87 121.76 117.99 3duk s ALA 69 Ca 0.53 -3.31 0.24 0.00 0.00 0.00 0.00 51.96 49.42 3duk s ALA 69 Cb -0.41 -3.85 1.55 0.00 0.00 0.00 0.00 23.12 20.41 3duk s ALA 69 CO 0.54 -2.60 2.16 0.87 0.00 0.00 0.00 175.76 176.73 3duk h LYS 70 N 7.62 0.00 -0.38 0.00 6.56 -1.84 -1.97 116.57 126.55 3duk h LYS 70 Ca 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.79 3duk h LYS 70 Cb 0.95 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.61 3duk h LYS 70 CO 1.05 0.00 0.00 0.09 -2.06 0.00 0.00 179.45 178.53 3duk n ASN 71 N -4.14 3.24 -4.75 0.86 3.02 -1.26 -4.98 115.26 107.25 3duk n ASN 71 Ca -0.01 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.17 3duk n ASN 71 Cb 0.19 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 3duk n ASN 71 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3duk s VAL 72 N -1.51 3.18 -0.25 2.41 0.11 -0.74 -4.73 120.40 118.87 3duk s VAL 72 Ca 0.38 1.08 -0.03 0.00 -2.93 0.00 0.00 61.98 60.48 3duk s VAL 72 Cb 0.22 -3.69 0.01 0.00 -1.53 0.00 0.00 36.38 31.40 3duk s VAL 72 CO 0.31 0.21 -0.02 -1.10 -3.33 0.00 0.00 175.10 171.17 3duk s GLN 73 N -0.94 3.04 0.08 1.54 -1.52 -0.25 -4.96 119.66 116.64 3duk s GLN 73 Ca 0.51 -0.86 0.10 0.00 -1.95 0.00 0.00 55.36 53.16 3duk s GLN 73 Cb -0.36 -3.08 -0.03 0.00 -0.22 0.00 0.00 33.01 29.32 3duk s GLN 73 CO 0.43 -0.36 -0.26 0.45 -0.25 0.00 0.00 175.29 175.30 3duk s SER 74 N 1.41 3.28 -0.14 5.90 0.15 -1.26 -1.20 113.70 121.84 3duk s SER 74 Ca 0.02 -0.64 -0.07 0.00 0.70 0.00 0.00 55.95 55.95 3duk s SER 74 Cb -0.16 -0.29 0.05 0.00 -1.71 0.00 0.00 66.02 63.92 3duk s SER 74 CO -0.03 0.23 0.33 -0.13 1.20 0.00 0.00 173.24 174.84 3duk s ARG 75 N -1.60 0.30 0.16 5.44 1.81 -0.52 -4.97 118.95 119.57 3duk s ARG 75 Ca 0.13 0.68 -0.30 0.00 -1.72 0.00 0.00 55.73 54.52 3duk s ARG 75 Cb -0.10 -0.06 -0.07 0.00 -0.45 0.00 0.00 34.95 34.26 3duk s ARG 75 CO 0.04 -0.16 1.15 0.42 -0.68 0.00 0.00 175.30 176.07 3duk s ILE 76 N 1.38 3.80 -0.01 1.52 1.01 -1.26 -0.65 121.20 126.98 3duk s ILE 76 Ca -0.09 1.48 0.01 0.00 0.00 0.00 0.00 60.65 62.04 3duk s ILE 76 Cb -0.09 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 3duk s ILE 76 CO -0.11 0.22 0.02 0.35 0.00 0.00 0.00 174.94 175.42 3duk n THR 77 N 2.73 0.00 -3.67 2.92 -2.24 -0.38 -4.96 114.28 108.68 3duk n THR 77 Ca 0.05 -0.20 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 3duk n THR 77 Cb 0.46 0.68 -0.09 0.00 -2.10 0.00 0.00 70.33 69.28 3duk n THR 77 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3duk s ASN 78 N -1.69 -0.54 -0.28 3.42 2.47 -1.23 -4.94 114.94 112.15 3duk s ASN 78 Ca -0.00 1.07 0.02 0.00 0.42 0.00 0.00 52.86 54.36 3duk s ASN 78 Cb 0.00 1.16 0.08 0.00 -1.45 0.00 0.00 41.25 41.04 3duk s ASN 78 CO 0.03 -0.21 -0.01 -0.63 -3.72 0.00 0.00 177.10 172.56 3duk s ILE 79 N 1.93 1.71 -0.37 -5.21 1.01 -1.26 -1.46 121.20 117.55 3duk s ILE 79 Ca -0.07 -1.61 -0.08 0.00 0.00 0.00 0.00 60.65 58.90 3duk s ILE 79 Cb -0.09 -2.08 0.05 0.00 0.01 0.00 0.00 42.46 40.35 3duk s ILE 79 CO -0.14 -0.32 0.17 -0.62 0.00 0.00 0.00 174.94 174.03 3duk s ASP 80 N 1.26 5.49 -0.09 3.58 2.15 -0.08 -5.00 116.67 123.99 3duk s ASP 80 Ca 0.01 -1.22 0.01 0.00 0.43 0.00 0.00 52.55 51.77 3duk s ASP 80 Cb -0.19 -1.93 -0.03 0.00 -0.30 0.00 0.00 42.92 40.48 3duk s ASP 80 CO -0.10 -0.40 -0.09 -0.63 -0.17 0.00 0.00 175.17 173.79 3duk s ILE 81 N 1.43 3.53 -0.38 4.11 1.01 -1.26 -0.97 121.20 128.66 3duk s ILE 81 Ca 0.01 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.15 3duk s ILE 81 Cb -0.20 -2.45 0.16 0.00 0.01 0.00 0.00 42.46 39.97 3duk s ILE 81 CO 0.03 0.57 0.34 0.54 0.00 0.00 0.00 174.94 176.43 3duk s VAL 82 N -0.46 -0.09 0.00 2.92 0.11 -0.72 -4.83 120.40 117.32 3duk s VAL 82 Ca 0.06 -1.57 0.00 0.00 -2.93 0.00 0.00 61.98 57.55 3duk s VAL 82 Cb -0.12 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3duk s VAL 82 CO 0.02 -0.81 0.00 0.61 -3.33 0.00 0.00 175.10 171.59 3duk n GLY 83 N 3.78 1.54 0.01 6.54 0.00 -1.26 -2.99 105.19 112.81 3duk n GLY 83 Ca 0.16 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.39 3duk n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3duk n THR 84 N 0.00 0.02 -4.47 2.61 -2.24 -1.26 -4.89 114.28 104.06 3duk n THR 84 Ca 0.00 -0.22 -0.23 0.00 -2.27 0.00 0.00 64.05 61.33 3duk n THR 84 Cb 0.00 0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 68.64 3duk n THR 84 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3duk s VAL 85 N -3.23 1.69 0.09 2.28 -7.23 -1.16 -0.36 120.40 112.50 3duk s VAL 85 Ca 0.01 -2.10 -0.25 0.00 -1.81 0.00 0.00 61.98 57.83 3duk s VAL 85 Cb 0.15 -2.59 0.08 0.00 0.56 0.00 0.00 36.38 34.58 3duk s VAL 85 CO 0.88 -0.21 0.68 0.00 -0.31 0.00 0.00 175.10 176.14 3duk s ALA 86 N -2.97 -1.68 0.08 1.32 0.00 -1.09 -1.76 121.76 115.67 3duk s ALA 86 Ca 0.32 0.71 0.08 0.00 0.00 0.00 0.00 51.96 53.07 3duk s ALA 86 Cb 0.05 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 3duk s ALA 86 CO 0.14 -0.70 -0.17 -1.58 0.00 0.00 0.00 175.76 173.45 3duk s HIS 87 N -3.31 2.58 -0.04 0.00 5.65 -0.15 -0.33 115.29 119.70 3duk s HIS 87 Ca 0.01 -0.24 -0.10 0.00 0.25 0.00 0.00 55.06 54.98 3duk s HIS 87 Cb -0.01 -1.42 0.02 0.00 -1.18 0.00 0.00 32.58 29.99 3duk s HIS 87 CO -0.10 0.33 0.22 0.00 -0.65 0.00 0.00 174.74 174.55 3duk s ALA 88 N -1.05 -0.55 0.05 1.58 0.00 -0.85 -0.90 121.76 120.04 3duk s ALA 88 Ca 0.17 0.30 0.09 0.00 0.00 0.00 0.00 51.96 52.52 3duk s ALA 88 Cb -0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3duk s ALA 88 CO 0.08 -0.19 -0.26 0.50 0.00 0.00 0.00 175.76 175.89 3duk s ARG 89 N -0.80 1.79 -0.01 0.00 3.52 -0.53 -0.12 118.95 122.81 3duk s ARG 89 Ca -0.09 -1.12 0.01 0.00 -0.13 0.00 0.00 55.73 54.41 3duk s ARG 89 Cb -0.05 -1.98 -0.00 0.00 -1.56 0.00 0.00 34.95 31.36 3duk s ARG 89 CO 0.02 0.51 -0.05 0.08 -0.81 0.00 0.00 175.30 175.05 3duk s VAL 90 N -0.82 0.40 -0.20 7.11 1.01 -0.27 -1.25 120.40 126.38 3duk s VAL 90 Ca 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 3duk s VAL 90 Cb -0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 3duk s VAL 90 CO 0.02 0.12 -0.02 -1.61 0.00 0.00 0.00 175.10 173.62 3duk s GLU 91 N 0.02 3.53 -0.07 2.72 0.41 0.17 -0.78 118.70 124.70 3duk s GLU 91 Ca 0.00 -0.56 0.01 0.00 -0.41 0.00 0.00 54.97 54.02 3duk s GLU 91 Cb -0.04 -3.03 -0.03 0.00 -1.78 0.00 0.00 34.13 29.25 3duk s GLU 91 CO -0.00 -0.04 -0.09 0.00 -0.49 0.00 0.00 175.26 174.64 3duk s ALA 92 N 1.10 2.88 0.05 5.21 0.00 -0.73 -1.44 121.76 128.83 3duk s ALA 92 Ca 0.02 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.11 3duk s ALA 92 Cb -0.14 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 3duk s ALA 92 CO 0.01 0.54 -0.14 -1.21 0.00 0.00 0.00 175.76 174.96 3duk s GLU 93 N -0.70 0.86 -1.42 0.00 2.02 -0.34 -1.30 118.70 117.83 3duk s GLU 93 Ca 0.11 -0.83 -0.10 0.00 0.02 0.00 0.00 54.97 54.16 3duk s GLU 93 Cb -0.11 -0.86 0.06 0.00 0.10 0.00 0.00 34.13 33.32 3duk s GLU 93 CO 0.01 0.20 0.65 -1.71 0.02 0.00 0.00 175.26 174.44 3duk n ASN 94 N 1.63 -4.50 -4.56 -0.19 2.85 -0.80 -1.09 115.26 108.60 3duk n ASN 94 Ca -0.19 -0.48 -0.31 0.00 -0.11 0.00 0.00 54.58 53.48 3duk n ASN 94 Cb 0.54 -3.66 -0.04 0.00 1.24 0.00 0.00 39.78 37.86 3duk n ASN 94 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 3duk s TRP 95 N -3.08 2.05 -1.54 1.20 -0.11 -0.21 -2.83 118.94 114.42 3duk s TRP 95 Ca 0.46 0.15 -0.09 0.00 1.22 0.00 0.00 56.10 57.83 3duk s TRP 95 Cb -0.23 -4.23 0.08 0.00 -1.50 0.00 0.00 33.47 27.58 3duk s TRP 95 CO 0.57 -1.72 0.66 0.25 -4.62 0.00 0.00 176.95 172.08 3duk n THR 96 N 7.56 -2.16 -0.75 5.86 -2.24 -1.26 -0.72 114.28 120.57 3duk n THR 96 Ca 0.40 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 3duk n THR 96 Cb 0.48 -2.35 0.00 0.00 -2.10 0.00 0.00 70.33 66.36 3duk n THR 96 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3duk n ASN 97 N -2.84 0.00 -4.87 3.42 4.05 -1.24 -5.02 115.26 108.75 3duk n ASN 97 Ca -0.11 0.00 -0.32 0.00 0.45 0.00 0.00 54.58 54.61 3duk n ASN 97 Cb 0.58 -0.03 -0.05 0.00 1.23 0.00 0.00 39.78 41.51 3duk n ASN 97 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3duk s PHE 98 N -3.72 3.42 -0.17 1.20 0.08 0.10 -4.69 117.98 114.21 3duk s PHE 98 Ca 0.00 0.88 0.01 0.00 0.12 0.00 0.00 56.93 57.94 3duk s PHE 98 Cb 0.00 -2.27 0.02 0.00 -0.57 0.00 0.00 43.02 40.20 3duk s PHE 98 CO 0.00 0.25 -0.19 0.21 -0.10 0.00 0.00 175.22 175.39 3duk s LYS 99 N -2.87 3.02 0.22 0.44 2.20 -1.26 -1.04 119.74 120.44 3duk s LYS 99 Ca 0.48 -0.82 0.12 0.00 -0.36 0.00 0.00 55.97 55.38 3duk s LYS 99 Cb -0.11 -2.57 -0.05 0.00 -1.51 0.00 0.00 37.83 33.60 3duk s LYS 99 CO 0.21 -0.16 -0.23 -0.06 -0.36 0.00 0.00 175.35 174.76 3duk s PHE 100 N 1.18 2.29 -0.17 4.03 0.08 -0.42 -1.92 117.98 123.05 3duk s PHE 100 Ca 0.02 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.72 3duk s PHE 100 Cb -0.14 -1.10 0.04 0.00 -0.57 0.00 0.00 43.02 41.25 3duk s PHE 100 CO -0.10 0.56 -0.10 -1.12 -0.10 0.00 0.00 175.22 174.36 3duk s SER 101 N -2.89 2.99 -0.25 1.36 0.01 -0.97 -1.78 113.70 112.18 3duk s SER 101 Ca 0.23 -0.69 -0.07 0.00 1.31 0.00 0.00 55.95 56.73 3duk s SER 101 Cb -0.07 -1.12 -0.03 0.00 0.21 0.00 0.00 66.02 65.01 3duk s SER 101 CO 0.11 -0.13 0.07 -1.81 0.41 0.00 0.00 173.24 171.90 3duk s ASP 102 N 1.50 5.18 -0.23 2.44 1.01 0.04 -2.43 116.67 124.17 3duk s ASP 102 Ca 0.01 -0.19 -0.07 0.00 0.71 0.00 0.00 52.55 53.02 3duk s ASP 102 Cb -0.15 -1.93 -0.03 0.00 1.01 0.00 0.00 42.92 41.82 3duk s ASP 102 CO -0.09 -0.03 0.05 -0.76 0.21 0.00 0.00 175.17 174.55 3duk s LEU 103 N 1.59 3.37 0.13 1.23 1.43 -0.66 -1.11 118.68 124.66 3duk s LEU 103 Ca 0.06 -0.21 0.09 0.00 -1.03 0.00 0.00 54.13 53.04 3duk s LEU 103 Cb -0.15 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 3duk s LEU 103 CO 0.04 -0.01 -0.15 -0.36 0.23 0.00 0.00 176.35 176.11 3duk s PHE 104 N 1.44 2.60 -0.09 0.29 0.08 0.83 -2.06 117.98 121.07 3duk s PHE 104 Ca 0.05 -0.23 0.04 0.00 0.12 0.00 0.00 56.93 56.91 3duk s PHE 104 Cb -0.15 -1.35 -0.00 0.00 -0.57 0.00 0.00 43.02 40.95 3duk s PHE 104 CO 0.02 0.42 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.82 3duk s LEU 105 N -2.30 2.06 0.37 -0.37 1.43 -0.91 -2.02 118.68 116.94 3duk s LEU 105 Ca 0.20 -0.54 0.08 0.00 -1.03 0.00 0.00 54.13 52.85 3duk s LEU 105 Cb -0.10 -1.37 -0.07 0.00 0.03 0.00 0.00 46.19 44.68 3duk s LEU 105 CO 0.12 0.16 -0.02 -0.76 0.23 0.00 0.00 176.35 176.08 3duk s LEU 106 N 0.29 2.86 -0.05 1.79 1.02 0.55 -1.28 118.68 123.86 3duk s LEU 106 Ca -0.17 -1.22 -0.04 0.00 0.02 0.00 0.00 54.13 52.73 3duk s LEU 106 Cb -0.17 -1.06 0.02 0.00 0.02 0.00 0.00 46.19 45.00 3duk s LEU 106 CO 0.08 -0.32 0.13 -0.22 0.02 0.00 0.00 176.35 176.03 3duk s LEU 107 N -3.69 1.27 -1.29 1.79 2.96 -0.20 -2.65 118.68 116.87 3duk s LEU 107 Ca 0.34 0.26 -0.11 0.00 -0.22 0.00 0.00 54.13 54.41 3duk s LEU 107 Cb 0.05 0.39 0.15 0.00 0.50 0.00 0.00 46.19 47.28 3duk s LEU 107 CO 0.18 -0.08 1.83 1.17 -1.32 0.00 0.00 176.35 178.14 3duk n LYS 108 N 3.41 3.49 -1.97 1.98 4.81 0.52 -1.11 118.16 129.30 3duk n LYS 108 Ca -0.17 -3.48 -0.36 0.00 -0.87 0.00 0.00 58.31 53.43 3duk n LYS 108 Cb 0.57 -3.00 -0.03 0.00 0.02 0.00 0.00 35.03 32.59 3duk n LYS 108 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3duk s LEU 109 N 0.49 3.28 -1.18 3.14 2.96 -0.75 -3.12 118.68 123.50 3duk s LEU 109 Ca 0.41 0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 54.54 3duk s LEU 109 Cb 0.08 -2.53 0.01 0.00 0.50 0.00 0.00 46.19 44.24 3duk s LEU 109 CO -0.00 -2.53 0.82 -0.90 -1.32 0.00 0.00 176.35 172.42 3duk n ASP 110 N 13.45 -5.55 0.00 3.68 5.68 -1.26 -2.52 116.55 130.04 3duk n ASP 110 Ca 0.26 -0.38 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 3duk n ASP 110 Cb 0.51 -4.24 0.00 0.00 -1.14 0.00 0.00 41.12 36.26 3duk n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3duk n GLY 111 N -1.63 0.91 3.08 6.12 0.00 -1.18 -5.02 105.19 107.46 3duk n GLY 111 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3duk n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3duk s LYS 112 N -0.43 2.56 0.36 1.61 -0.14 -1.05 -5.06 119.74 117.60 3duk s LYS 112 Ca 0.00 -1.04 -0.28 0.00 -1.36 0.00 0.00 55.97 53.29 3duk s LYS 112 Cb 0.00 -2.68 -0.10 0.00 -1.68 0.00 0.00 37.83 33.37 3duk s LYS 112 CO 0.00 -0.39 1.38 -1.58 -0.76 0.00 0.00 175.35 174.01 3duk s TRP 113 N 1.23 2.82 -0.06 3.18 0.52 -1.26 -1.81 118.94 123.55 3duk s TRP 113 Ca -0.02 1.31 -0.22 0.00 0.02 0.00 0.00 56.10 57.20 3duk s TRP 113 Cb -0.16 -3.82 0.05 0.00 -1.15 0.00 0.00 33.47 28.38 3duk s TRP 113 CO -0.09 -2.37 0.50 -0.08 0.02 0.00 0.00 176.95 174.92 3duk s THR 114 N -1.15 0.02 -0.26 2.01 -1.32 -0.27 -4.83 115.64 109.86 3duk s THR 114 Ca 0.52 -0.20 -0.27 0.00 -1.21 0.00 0.00 61.69 60.53 3duk s THR 114 Cb -0.42 -0.79 0.01 0.00 -1.51 0.00 0.00 72.50 69.78 3duk s THR 114 CO 0.57 -0.11 0.95 -0.63 -2.21 0.00 0.00 174.62 173.19 3duk s ILE 115 N -0.97 4.71 -0.04 5.08 1.01 -0.77 -1.04 121.20 129.19 3duk s ILE 115 Ca -0.10 1.74 0.19 0.00 0.00 0.00 0.00 60.65 62.48 3duk s ILE 115 Cb -0.03 -4.25 -0.29 0.00 0.01 0.00 0.00 42.46 37.90 3duk s ILE 115 CO 0.06 -0.20 0.39 1.33 0.00 0.00 0.00 174.94 176.52 3duk n VAL 116 N 5.41 0.09 -3.84 2.92 0.24 -0.40 -1.73 118.33 121.02 3duk n VAL 116 Ca 0.09 -0.46 -0.12 0.00 -2.04 0.00 0.00 64.34 61.81 3duk n VAL 116 Cb 0.47 0.02 -0.12 0.00 -1.47 0.00 0.00 33.84 32.74 3duk n VAL 116 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3duk s ASN 117 N -4.26 -0.08 -0.06 -1.34 0.02 -0.97 -2.65 114.94 105.59 3duk s ASN 117 Ca -0.07 0.11 -0.02 0.00 -1.02 0.00 0.00 52.86 51.85 3duk s ASN 117 Cb 0.12 0.27 0.04 0.00 0.02 0.00 0.00 41.25 41.70 3duk s ASN 117 CO 0.79 -0.17 0.13 -0.75 0.02 0.00 0.00 177.10 177.12 3duk s LYS 118 N -0.46 0.07 0.14 -0.60 2.20 -0.38 -2.15 119.74 118.56 3duk s LYS 118 Ca -0.05 0.36 0.07 0.00 -0.36 0.00 0.00 55.97 55.98 3duk s LYS 118 Cb -0.04 -0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.05 3duk s LYS 118 CO 0.01 -0.17 -0.16 0.14 -0.36 0.00 0.00 175.35 174.80 3duk s VAL 119 N 1.21 1.57 0.07 4.02 -7.23 -0.87 -2.06 120.40 117.10 3duk s VAL 119 Ca -0.09 -1.81 -0.12 0.00 -1.81 0.00 0.00 61.98 58.15 3duk s VAL 119 Cb -0.12 -1.68 0.01 0.00 0.56 0.00 0.00 36.38 35.15 3duk s VAL 119 CO -0.06 -0.36 0.27 0.72 -0.31 0.00 0.00 175.10 175.36 3duk s PHE 120 N -2.09 -0.02 -0.09 2.82 -0.12 -1.11 -1.65 117.98 115.73 3duk s PHE 120 Ca 0.12 -0.24 0.02 0.00 -0.05 0.00 0.00 56.93 56.77 3duk s PHE 120 Cb -0.05 0.05 0.01 0.00 -0.63 0.00 0.00 43.02 42.40 3duk s PHE 120 CO 0.05 -0.53 -0.13 -1.58 -0.05 0.00 0.00 175.22 172.97 3duk s HIS 121 N -3.11 1.70 -0.49 3.49 2.46 -1.02 -4.36 115.29 113.96 3duk s HIS 121 Ca -0.01 -0.74 -0.21 0.00 0.47 0.00 0.00 55.06 54.58 3duk s HIS 121 Cb 0.01 -1.26 0.04 0.00 -0.13 0.00 0.00 32.58 31.25 3duk s HIS 121 CO -0.07 -0.40 0.68 -1.17 -2.47 0.00 0.00 174.74 171.32 3duk s LEU 122 N 0.93 4.65 0.30 8.88 2.96 -1.26 -2.28 118.68 132.86 3duk s LEU 122 Ca -0.09 -0.61 -0.29 0.00 -0.22 0.00 0.00 54.13 52.92 3duk s LEU 122 Cb -0.15 -2.61 -0.11 0.00 0.50 0.00 0.00 46.19 43.82 3duk s LEU 122 CO 0.00 -0.91 1.47 -1.00 -1.32 0.00 0.00 176.35 174.59 3duk s HIS 123 N 2.92 2.86 -2.00 5.38 3.76 -0.81 -5.01 115.29 122.39 3duk s HIS 123 Ca 0.20 1.05 0.09 0.00 -0.15 0.00 0.00 55.06 56.25 3duk s HIS 123 Cb -0.16 -3.91 0.52 0.00 1.11 0.00 0.00 32.58 30.14 3duk s HIS 123 CO 0.16 -2.86 0.97 0.00 -0.85 0.00 0.00 174.74 172.16