#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 3.13 0.00 1.61 0.15 -1.26 -5.20 113.70 112.13 3duk s SER 2 Ca 0.00 -0.66 0.23 0.00 0.70 0.00 0.00 55.95 56.22 3duk s SER 2 Cb 0.00 -0.24 0.47 0.00 -1.71 0.00 0.00 66.02 64.54 3duk s SER 2 CO 0.00 0.21 1.43 1.33 1.20 0.00 0.00 173.24 177.40 3duk n VAL 3 N 1.38 0.52 -1.71 4.45 0.24 -1.26 -4.27 118.33 117.68 3duk n VAL 3 Ca -0.18 -0.73 -0.42 0.00 -2.04 0.00 0.00 64.34 60.97 3duk n VAL 3 Cb 0.53 0.89 -0.03 0.00 -1.47 0.00 0.00 33.84 33.75 3duk n VAL 3 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3duk n LYS 4 N 1.41 2.75 -2.47 7.34 4.01 -1.26 -4.49 118.16 125.45 3duk n LYS 4 Ca 0.19 0.99 -0.42 0.00 -0.51 0.00 0.00 58.31 58.57 3duk n LYS 4 Cb 0.58 -2.84 -0.03 0.00 -0.51 0.00 0.00 35.03 32.23 3duk n LYS 4 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3duk s VAL 5 N 1.33 4.28 0.14 -0.18 1.01 -1.26 -4.91 120.40 120.81 3duk s VAL 5 Ca 0.76 1.60 0.09 0.00 0.00 0.00 0.00 61.98 64.43 3duk s VAL 5 Cb -0.51 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 3duk s VAL 5 CO 0.33 0.00 -0.18 -0.94 0.00 0.00 0.00 175.10 174.31 3duk s SER 6 N 1.45 3.86 0.46 3.32 1.04 -1.26 -5.02 113.70 117.55 3duk s SER 6 Ca 0.56 -0.61 0.16 0.00 0.48 0.00 0.00 55.95 56.53 3duk s SER 6 Cb -0.24 -0.52 1.06 0.00 0.10 0.00 0.00 66.02 66.41 3duk s SER 6 CO 0.22 0.16 2.01 0.58 0.98 0.00 0.00 173.24 177.18 3duk h VAL 7 N 3.40 1.07 0.24 5.02 2.07 -1.99 -2.09 116.25 123.97 3duk h VAL 7 Ca -0.49 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 3duk h VAL 7 Cb 1.18 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3duk h VAL 7 CO 0.47 0.17 -0.11 -0.78 0.02 0.00 0.00 177.57 177.33 3duk h ASP 8 N 0.00 -0.27 -0.61 0.57 3.58 -1.99 -1.94 116.42 115.76 3duk h ASP 8 Ca -0.00 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 3duk h ASP 8 Cb 0.31 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 3duk h ASP 8 CO 0.02 -0.18 0.14 0.44 -2.88 0.00 0.00 179.24 176.78 3duk h ASP 9 N -0.34 0.96 -0.91 2.28 3.32 -1.89 -1.74 116.42 118.10 3duk h ASP 9 Ca -0.03 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 3duk h ASP 9 Cb 0.26 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3duk h ASP 9 CO 0.05 0.94 0.52 0.40 -1.72 0.00 0.00 179.24 179.43 3duk h ILE 10 N 0.96 1.26 0.00 0.35 2.04 -1.25 -2.05 117.51 118.82 3duk h ILE 10 Ca 0.20 -0.62 -0.12 0.00 1.00 0.00 0.00 64.86 65.32 3duk h ILE 10 Cb 0.37 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 3duk h ILE 10 CO 0.00 0.29 -0.59 0.44 0.00 0.00 0.00 178.15 178.29 3duk h ASP 11 N 1.28 0.00 -0.30 1.72 3.32 -0.98 -1.40 116.42 120.05 3duk h ASP 11 Ca 0.32 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.23 3duk h ASP 11 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3duk h ASP 11 CO -0.05 0.59 -0.38 1.23 -1.72 0.00 0.00 179.24 178.91 3duk h GLY 12 N 2.50 0.87 0.97 2.75 0.00 -0.97 -0.76 103.07 108.43 3duk h GLY 12 Ca -0.01 -0.93 -0.13 0.00 0.00 0.00 0.00 47.33 46.26 3duk h GLY 12 CO 0.08 0.84 -0.34 -2.22 0.00 0.00 0.00 176.54 174.90 3duk h ILE 13 N 0.56 1.31 -0.34 2.60 2.04 -1.36 -2.73 117.51 119.59 3duk h ILE 13 Ca 0.04 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.38 3duk h ILE 13 Cb 0.97 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 3duk h ILE 13 CO 0.09 0.48 0.23 0.74 0.00 0.00 0.00 178.15 179.69 3duk h THR 14 N 0.42 1.09 -0.36 -0.27 2.02 -1.25 -1.35 112.91 113.21 3duk h THR 14 Ca 0.03 -0.16 -0.15 0.00 0.77 0.00 0.00 66.41 66.91 3duk h THR 14 Cb 0.92 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3duk h THR 14 CO 0.08 0.08 -0.36 -0.08 0.37 0.00 0.00 175.52 175.62 3duk h GLU 15 N 0.46 0.83 0.02 6.66 4.81 -0.94 -0.64 114.58 125.79 3duk h GLU 15 Ca 0.13 -0.41 -0.22 0.00 -0.13 0.00 0.00 59.36 58.73 3duk h GLU 15 Cb -0.05 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3duk h GLU 15 CO -0.03 1.05 -1.02 -0.24 -0.73 0.00 0.00 179.01 178.04 3duk h VAL 16 N 0.69 1.67 0.00 0.32 3.04 -1.17 -2.81 116.25 117.98 3duk h VAL 16 Ca 0.06 -3.30 -0.09 0.00 -1.01 0.00 0.00 66.70 62.36 3duk h VAL 16 Cb 0.92 2.83 -0.01 0.00 -2.01 0.00 0.00 31.29 33.01 3duk h VAL 16 CO 0.08 0.95 -0.41 -0.07 -1.01 0.00 0.00 177.57 177.11 3duk h LEU 17 N 0.01 0.00 -0.85 3.16 3.38 -1.18 -2.50 115.31 117.33 3duk h LEU 17 Ca -0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3duk h LEU 17 Cb 1.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 3duk h LEU 17 CO 0.14 0.41 -0.52 0.78 0.09 0.00 0.00 178.44 179.34 3duk h ASN 18 N 0.00 0.16 -0.51 -0.43 2.35 -0.97 -3.00 115.58 113.17 3duk h ASN 18 Ca -0.00 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 3duk h ASN 18 Cb 0.92 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 3duk h ASN 18 CO 0.05 0.65 0.01 0.58 -1.65 0.00 0.00 177.43 177.07 3duk h VAL 19 N 0.11 1.26 0.00 2.81 2.07 -1.20 -0.38 116.25 120.93 3duk h VAL 19 Ca 0.00 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3duk h VAL 19 Cb 0.95 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3duk h VAL 19 CO 0.07 0.38 0.00 0.00 0.02 0.00 0.00 177.57 178.04 3duk n TYR 20 N -4.32 0.00 0.00 1.57 9.36 -1.08 -1.78 117.16 120.92 3duk n TYR 20 Ca 0.01 -0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 3duk n TYR 20 Cb 0.31 -0.05 0.00 0.00 -0.63 0.00 0.00 39.34 38.98 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 0.28 0.00 0.02 2.98 3.02 -0.15 -1.24 115.26 120.17 3duk n ASN 22 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 3duk n ASN 22 Cb 0.11 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.40 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 0.86 -0.84 5.41 0.00 -1.56 -1.26 119.26 121.87 3duk h ALA 23 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.47 3duk h ALA 23 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3duk h ALA 23 CO 0.00 0.66 0.55 0.00 0.00 0.00 0.00 179.25 180.46 3duk h ALA 24 N 1.12 1.44 0.09 0.00 0.00 -1.43 -0.29 119.26 120.20 3duk h ALA 24 Ca 0.02 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.55 3duk h ALA 24 Cb 0.96 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3duk h ALA 24 CO 0.08 0.50 -1.84 1.49 0.00 0.00 0.00 179.25 179.48 3duk h GLU 25 N 1.09 0.19 0.00 0.00 4.81 -1.69 -0.77 114.58 118.22 3duk h GLU 25 Ca 0.32 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3duk h GLU 25 Cb -0.06 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3duk h GLU 25 CO -0.08 1.00 0.00 0.43 -0.73 0.00 0.00 179.01 179.63 3duk n SER 26 N -3.36 0.19 -4.81 1.04 7.64 -0.49 -3.55 113.62 110.28 3duk n SER 26 Ca -0.25 -0.87 -0.31 0.00 1.01 0.00 0.00 58.87 58.45 3duk n SER 26 Cb 1.05 0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 64.23 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 -0.03 2.84 0.63 0.23 0.00 -0.12 -4.98 107.32 105.88 3duk s GLY 27 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 44.72 44.13 3duk s GLY 27 CO 0.00 -2.12 0.87 -0.51 0.00 0.00 0.00 173.10 171.34 3duk s THR 28 N -2.85 2.28 0.26 0.90 -4.23 -1.26 -4.44 115.64 106.30 3duk s THR 28 Ca 0.14 -0.75 0.14 0.00 -1.18 0.00 0.00 61.69 60.04 3duk s THR 28 Cb 0.00 -2.53 0.06 0.00 1.34 0.00 0.00 72.50 71.37 3duk s THR 28 CO 0.08 0.00 1.70 1.23 -0.54 0.00 0.00 174.62 177.10 3duk h GLY 29 N -0.15 0.00 1.06 3.99 0.00 -1.85 -2.99 103.07 103.13 3duk h GLY 29 Ca -0.36 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 3duk h GLY 29 CO 0.42 0.00 -0.33 0.83 0.00 0.00 0.00 176.54 177.46 3duk h GLU 30 N 0.00 0.85 -1.69 4.80 3.07 -1.95 -1.25 114.58 118.41 3duk h GLU 30 Ca -0.00 -0.44 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 3duk h GLU 30 Cb 0.93 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 3duk h GLU 30 CO 0.06 1.08 0.00 0.39 -1.40 0.00 0.00 179.01 179.14 3duk n GLU 31 N -4.15 0.35 0.00 2.33 1.02 -1.13 -3.50 120.64 115.57 3duk n GLU 31 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 3duk n GLU 31 Cb 0.51 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 3duk n GLU 31 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3duk n SER 33 N 0.94 0.00 0.17 1.62 3.41 -0.47 -4.46 113.62 114.83 3duk n SER 33 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 3duk n SER 33 Cb 0.18 0.00 0.56 0.00 -0.26 0.00 0.00 64.21 64.68 3duk n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3duk h ALA 34 N 0.00 1.00 -0.01 7.33 0.00 -1.86 -2.14 119.26 123.58 3duk h ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.00 -0.36 0.00 0.00 0.00 0.00 179.25 178.89 3duk n ALA 35 N -1.84 3.30 -2.48 0.00 0.00 -1.26 -4.96 120.51 113.28 3duk n ALA 35 Ca 0.01 -0.53 -0.29 0.00 0.00 0.00 0.00 53.44 52.63 3duk n ALA 35 Cb 0.22 -0.96 -0.11 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.47 2.50 0.66 0.00 0.40 -0.81 -1.44 117.98 116.82 3duk s PHE 36 Ca 0.22 -0.28 -0.16 0.00 -0.60 0.00 0.00 56.93 56.11 3duk s PHE 36 Cb 0.19 -1.32 0.00 0.00 0.51 0.00 0.00 43.02 42.40 3duk s PHE 36 CO 0.54 0.39 1.16 -1.58 0.70 0.00 0.00 175.22 176.43 3duk s HIS 37 N -1.18 2.41 0.49 0.36 5.65 -0.18 -4.85 115.29 117.98 3duk s HIS 37 Ca 0.18 1.56 0.15 0.00 0.25 0.00 0.00 55.06 57.20 3duk s HIS 37 Cb -0.10 -3.32 1.19 0.00 -1.18 0.00 0.00 32.58 29.16 3duk s HIS 37 CO 0.10 -2.04 2.10 1.57 -0.65 0.00 0.00 174.74 175.82 3duk h LYS 38 N 0.16 0.13 -0.62 2.88 -0.00 -1.93 -2.22 116.57 114.98 3duk h LYS 38 Ca -0.48 -0.01 -0.39 0.00 -0.00 0.00 0.00 60.65 59.77 3duk h LYS 38 Cb 1.27 -0.03 -0.24 0.00 -0.00 0.00 0.00 32.23 33.23 3duk h LYS 38 CO 0.53 0.09 -0.03 -0.25 -0.00 0.00 0.00 179.45 179.79 3duk n ASP 39 N -4.50 4.15 -4.81 7.07 8.00 -1.26 -5.03 116.55 120.17 3duk n ASP 39 Ca 0.00 -3.77 -0.31 0.00 0.71 0.00 0.00 54.79 51.42 3duk n ASP 39 Cb 0.16 -0.64 0.05 0.00 -0.02 0.00 0.00 41.12 40.66 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 -3.46 2.62 0.25 2.24 0.00 -0.84 -4.98 121.76 117.59 3duk s ALA 40 Ca 0.51 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.72 3duk s ALA 40 Cb 0.43 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.29 3duk s ALA 40 CO 0.01 -1.22 -0.05 0.95 0.00 0.00 0.00 175.76 175.46 3duk s THR 41 N -2.87 1.40 -0.16 0.00 -4.23 -0.71 -3.52 115.64 105.55 3duk s THR 41 Ca 0.60 -2.09 -0.08 0.00 -1.18 0.00 0.00 61.69 58.94 3duk s THR 41 Cb -0.15 -2.35 0.06 0.00 1.34 0.00 0.00 72.50 71.40 3duk s THR 41 CO 0.51 -0.35 0.36 -0.51 -0.54 0.00 0.00 174.62 174.08 3duk s ILE 42 N -3.18 -0.16 -0.02 2.99 2.07 0.22 -1.53 121.20 121.60 3duk s ILE 42 Ca 0.28 0.13 0.06 0.00 -1.41 0.00 0.00 60.65 59.71 3duk s ILE 42 Cb 0.04 -0.55 -0.01 0.00 0.13 0.00 0.00 42.46 42.06 3duk s ILE 42 CO 0.10 0.06 -0.19 -0.36 -1.91 0.00 0.00 174.94 172.63 3duk s PHE 43 N 1.65 1.73 -0.28 3.50 0.40 -0.60 -1.28 117.98 123.10 3duk s PHE 43 Ca -0.07 -0.34 -0.29 0.00 -0.60 0.00 0.00 56.93 55.62 3duk s PHE 43 Cb -0.10 -1.12 0.19 0.00 0.51 0.00 0.00 43.02 42.50 3duk s PHE 43 CO -0.11 -0.04 1.33 0.20 0.70 0.00 0.00 175.22 177.29 3duk s GLY 44 N -0.41 0.05 -0.09 4.36 0.00 -0.81 -2.29 107.32 108.14 3duk s GLY 44 Ca 0.06 2.75 -0.05 0.00 0.00 0.00 0.00 44.72 47.48 3duk s GLY 44 CO -0.00 1.09 0.11 -0.19 0.00 0.00 0.00 173.10 174.11 3duk s TYR 45 N -1.05 3.47 -0.35 1.90 2.02 -1.26 -2.45 117.35 119.63 3duk s TYR 45 Ca 0.08 0.41 0.03 0.00 -0.37 0.00 0.00 57.07 57.22 3duk s TYR 45 Cb -0.01 -1.87 0.10 0.00 -0.40 0.00 0.00 41.96 39.78 3duk s TYR 45 CO -0.07 0.66 0.07 0.08 -1.57 0.00 0.00 175.55 174.72 3duk s VAL 46 N -1.06 2.10 0.00 0.71 1.01 -0.55 -4.45 120.40 118.17 3duk s VAL 46 Ca 0.17 -2.28 0.00 0.00 0.00 0.00 0.00 61.98 59.87 3duk s VAL 46 Cb -0.12 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.71 3duk s VAL 46 CO 0.07 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.15 3duk n GLY 47 N 4.25 1.44 0.39 4.51 0.00 -1.26 -2.95 105.19 111.58 3duk n GLY 47 Ca 0.03 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.66 3duk n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3duk n ASP 48 N 7.02 1.67 -4.74 1.61 8.00 -1.26 -4.91 116.55 123.93 3duk n ASP 48 Ca 0.00 -1.29 -0.37 0.00 0.71 0.00 0.00 54.79 53.84 3duk n ASP 48 Cb 0.00 0.41 -0.07 0.00 -0.02 0.00 0.00 41.12 41.44 3duk n ASP 48 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3duk s LYS 49 N -2.53 4.20 -1.34 -1.24 3.01 -1.15 -5.01 119.74 115.68 3duk s LYS 49 Ca 0.19 0.14 -0.17 0.00 -1.01 0.00 0.00 55.97 55.13 3duk s LYS 49 Cb 0.18 -3.40 0.06 0.00 -1.01 0.00 0.00 37.83 33.67 3duk s LYS 49 CO 0.58 0.29 1.88 -0.11 0.51 0.00 0.00 175.35 178.50 3duk n LEU 50 N 3.37 5.51 0.26 3.17 7.94 -1.26 -1.48 117.00 134.51 3duk n LEU 50 Ca -0.12 -4.00 0.12 0.00 -1.11 0.00 0.00 56.01 50.90 3duk n LEU 50 Cb 0.52 -1.72 0.73 0.00 0.53 0.00 0.00 43.42 43.48 3duk n LEU 50 CO 0.39 0.44 1.00 0.00 -1.11 0.00 0.00 177.39 178.12 3duk h ALA 51 N 7.10 1.42 -3.43 1.96 0.00 -1.85 -3.37 119.26 121.09 3duk h ALA 51 Ca 0.48 -0.09 -0.66 0.00 0.00 0.00 0.00 54.91 54.64 3duk h ALA 51 Cb 0.80 -0.02 -0.36 0.00 0.00 0.00 0.00 17.79 18.22 3duk h ALA 51 CO 1.58 0.13 -0.83 -0.06 0.00 0.00 0.00 179.25 180.07 3duk s PHE 52 N -4.39 2.91 -0.15 0.00 0.40 -1.03 -5.00 117.98 110.72 3duk s PHE 52 Ca -0.04 -1.90 0.18 0.00 -0.60 0.00 0.00 56.93 54.58 3duk s PHE 52 Cb 0.14 -1.88 0.45 0.00 0.51 0.00 0.00 43.02 42.24 3duk s PHE 52 CO 0.60 -0.82 1.18 0.27 0.70 0.00 0.00 175.22 177.14 3duk n ASN 53 N 4.56 1.86 0.00 1.36 0.23 -1.21 -1.93 115.26 120.13 3duk n ASN 53 Ca -0.17 -2.80 0.00 0.00 -0.53 0.00 0.00 54.58 51.07 3duk n ASN 53 Cb 0.46 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 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 -0.34 2.01 3.68 4.83 0.00 -0.40 -4.99 105.19 109.97 3duk n GLY 54 Ca 0.15 -0.40 -0.48 0.00 0.00 0.00 0.00 46.02 45.29 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 2.20 0.00 1.61 -0.02 -1.26 -0.61 135.00 136.91 3duk n PRO 55 Ca 0.00 0.80 0.09 0.00 -2.02 0.00 0.00 63.50 62.37 3duk n PRO 55 Cb 0.00 -2.64 0.41 0.00 -0.02 0.00 0.00 33.50 31.25 3duk n PRO 55 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3duk n ILE 56 N 4.82 0.69 0.06 4.25 0.13 -1.23 -2.49 119.36 125.59 3duk n ILE 56 Ca 0.21 0.17 -0.02 0.00 -1.10 0.00 0.00 62.75 62.01 3duk n ILE 56 Cb 0.30 -0.85 0.23 0.00 -0.84 0.00 0.00 39.64 38.48 3duk n ILE 56 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 3duk h LYS 57 N 0.00 0.35 0.00 9.51 3.64 -1.89 -2.00 116.57 126.19 3duk h LYS 57 Ca 0.00 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 3duk h LYS 57 Cb 0.30 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3duk h LYS 57 CO 0.00 0.63 -0.17 -0.44 -2.27 0.00 0.00 179.45 177.20 3duk h ASP 58 N 0.31 0.00 0.00 4.20 3.32 -1.88 -0.84 116.42 121.54 3duk h ASP 58 Ca 0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3duk h ASP 58 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3duk h ASP 58 CO 0.05 0.17 -0.00 0.25 -1.72 0.00 0.00 179.24 177.99 3duk h LEU 59 N 0.00 -0.00 -1.19 1.55 5.85 -1.53 -2.17 115.31 117.83 3duk h LEU 59 Ca -0.00 -0.42 -0.08 0.00 0.84 0.00 0.00 57.88 58.22 3duk h LEU 59 Cb 0.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3duk h LEU 59 CO 0.02 0.42 -0.30 1.88 -0.34 0.00 0.00 178.44 180.12 3duk h TYR 60 N -0.42 0.19 -0.21 1.25 0.05 -1.28 -1.15 116.97 115.39 3duk h TYR 60 Ca -0.00 -0.04 -0.16 0.00 0.05 0.00 0.00 58.73 58.59 3duk h TYR 60 Cb 0.42 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.11 3duk h TYR 60 CO 0.07 0.46 -0.47 -0.44 -1.05 0.00 0.00 178.16 176.73 3duk h ASP 61 N 0.15 0.79 0.31 3.88 3.32 -1.21 -2.73 116.42 120.93 3duk h ASP 61 Ca 0.02 -0.56 -0.12 0.00 0.02 0.00 0.00 57.03 56.39 3duk h ASP 61 Cb 0.62 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3duk h ASP 61 CO 0.05 1.20 -0.49 -0.25 -1.72 0.00 0.00 179.24 178.02 3duk h TRP 62 N 0.41 0.26 0.00 4.55 7.01 -1.07 -1.85 115.95 125.26 3duk h TRP 62 Ca 0.00 -0.08 -0.10 0.00 2.11 0.00 0.00 58.89 60.82 3duk h TRP 62 Cb 1.08 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 28.07 3duk h TRP 62 CO 0.09 0.67 -0.49 1.25 -2.79 0.00 0.00 178.44 177.16 3duk h HIS 63 N 0.17 0.00 -0.04 2.65 2.76 -1.24 -0.81 115.15 118.64 3duk h HIS 63 Ca 0.01 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 57.99 3duk h HIS 63 Cb 0.93 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.91 3duk h HIS 63 CO 0.02 0.49 -0.72 -0.91 -1.30 0.00 0.00 177.93 175.51 3duk h ASN 64 N 0.00 0.70 -0.10 3.26 2.35 -1.14 -0.00 115.58 120.66 3duk h ASN 64 Ca -0.00 -0.71 -0.05 0.00 -0.55 0.00 0.00 56.30 54.99 3duk h ASN 64 Cb 1.03 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.19 3duk h ASN 64 CO 0.06 1.32 -0.12 0.28 -1.65 0.00 0.00 177.43 177.32 3duk h SER 65 N 0.16 0.27 0.59 5.81 0.02 -1.30 -3.20 113.55 115.91 3duk h SER 65 Ca -0.08 -0.51 -0.12 0.00 -0.84 0.00 0.00 61.79 60.24 3duk h SER 65 Cb 1.39 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 3duk h SER 65 CO 0.14 0.73 -0.59 -1.13 -1.14 0.00 0.00 176.83 174.84 3duk h ASN 66 N -0.17 0.00 -3.97 3.07 -1.24 -1.25 -3.50 115.58 108.52 3duk h ASN 66 Ca 0.01 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.04 3duk h ASN 66 Cb 0.66 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 3duk h ASN 66 CO 0.03 0.59 -0.04 0.61 -1.29 0.00 0.00 177.43 177.33 3duk n GLY 67 N 0.17 -1.82 3.77 1.57 0.00 -0.01 -4.90 105.19 103.97 3duk n GLY 67 Ca -0.01 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.83 3.95 -0.94 1.61 0.02 -1.26 -4.88 135.00 131.68 3duk s PRO 68 Ca 0.00 2.42 -0.16 0.00 0.02 0.00 0.00 61.00 63.27 3duk s PRO 68 Cb 0.00 -2.83 0.17 0.00 0.02 0.00 0.00 34.50 31.86 3duk s PRO 68 CO 0.00 -0.60 1.05 0.00 -0.33 0.00 0.00 177.00 177.12 3duk s ALA 69 N -1.17 3.71 0.42 -1.55 0.00 -0.30 -4.89 121.76 117.98 3duk s ALA 69 Ca 0.56 -3.04 0.25 0.00 0.00 0.00 0.00 51.96 49.73 3duk s ALA 69 Cb -0.43 -3.88 1.38 0.00 0.00 0.00 0.00 23.12 20.18 3duk s ALA 69 CO 0.57 -2.72 2.06 0.87 0.00 0.00 0.00 175.76 176.54 3duk h LYS 70 N 8.25 0.00 -0.69 0.00 6.56 -1.85 -2.30 116.57 126.54 3duk h LYS 70 Ca 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.75 3duk h LYS 70 Cb 1.01 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.67 3duk h LYS 70 CO 1.01 0.13 0.00 0.09 -2.06 0.00 0.00 179.45 178.62 3duk n ASN 71 N -3.76 3.92 -4.74 0.86 5.03 -1.26 -4.98 115.26 110.32 3duk n ASN 71 Ca -0.02 -2.00 -0.41 0.00 0.87 0.00 0.00 54.58 53.02 3duk n ASN 71 Cb 0.24 -0.46 -0.04 0.00 -1.02 0.00 0.00 39.78 38.50 3duk n ASN 71 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3duk s VAL 72 N -1.08 3.63 -0.21 2.41 0.11 -0.87 -4.71 120.40 119.68 3duk s VAL 72 Ca 0.48 1.41 -0.01 0.00 -2.93 0.00 0.00 61.98 60.93 3duk s VAL 72 Cb 0.25 -3.90 0.02 0.00 -1.53 0.00 0.00 36.38 31.22 3duk s VAL 72 CO 0.34 0.24 -0.12 -1.10 -3.33 0.00 0.00 175.10 171.13 3duk s GLN 73 N -0.43 3.00 0.06 1.54 -1.52 -0.51 -4.96 119.66 116.83 3duk s GLN 73 Ca 0.51 -0.85 0.08 0.00 -1.95 0.00 0.00 55.36 53.15 3duk s GLN 73 Cb -0.32 -2.81 -0.03 0.00 -0.22 0.00 0.00 33.01 29.64 3duk s GLN 73 CO 0.37 -0.28 -0.22 -1.54 -0.25 0.00 0.00 175.29 173.37 3duk s SER 74 N 1.33 2.69 -0.01 5.90 1.04 -1.26 -0.81 113.70 122.59 3duk s SER 74 Ca 0.03 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.88 3duk s SER 74 Cb -0.15 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 65.77 3duk s SER 74 CO -0.08 0.16 -0.00 -0.13 0.98 0.00 0.00 173.24 174.17 3duk s ARG 75 N -1.38 0.09 -0.07 4.02 1.81 -0.23 -4.97 118.95 118.22 3duk s ARG 75 Ca 0.09 0.01 -0.30 0.00 -1.72 0.00 0.00 55.73 53.81 3duk s ARG 75 Cb -0.09 -0.15 -0.02 0.00 -0.45 0.00 0.00 34.95 34.23 3duk s ARG 75 CO 0.03 -0.03 1.02 0.42 -0.68 0.00 0.00 175.30 176.06 3duk s ILE 76 N 0.28 4.73 -0.20 1.52 1.01 -1.26 -0.96 121.20 126.33 3duk s ILE 76 Ca -0.02 1.99 0.07 0.00 0.00 0.00 0.00 60.65 62.68 3duk s ILE 76 Cb -0.04 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 38.06 3duk s ILE 76 CO -0.01 0.05 0.24 0.35 0.00 0.00 0.00 174.94 175.57 3duk n THR 77 N 4.36 0.00 -3.69 2.92 -2.24 -0.43 -4.98 114.28 110.22 3duk n THR 77 Ca 0.08 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 3duk n THR 77 Cb 0.49 0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 69.37 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 -2.12 -0.58 -0.25 3.42 2.47 -1.20 -4.92 114.94 111.76 3duk s ASN 78 Ca 0.01 1.09 -0.04 0.00 0.42 0.00 0.00 52.86 54.34 3duk s ASN 78 Cb 0.05 1.08 0.09 0.00 -1.45 0.00 0.00 41.25 41.02 3duk s ASN 78 CO 0.29 -0.19 0.11 -0.63 -3.72 0.00 0.00 177.10 172.96 3duk s ILE 79 N 0.47 -0.02 -0.41 -5.21 1.01 -1.26 -1.27 121.20 114.51 3duk s ILE 79 Ca -0.01 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.93 3duk s ILE 79 Cb -0.04 -0.89 0.06 0.00 0.01 0.00 0.00 42.46 41.60 3duk s ILE 79 CO -0.02 -0.58 0.25 -0.62 0.00 0.00 0.00 174.94 173.98 3duk s ASP 80 N 2.09 5.73 -0.04 3.58 2.15 -0.05 -4.98 116.67 125.16 3duk s ASP 80 Ca 0.07 -1.28 -0.02 0.00 0.43 0.00 0.00 52.55 51.75 3duk s ASP 80 Cb -0.16 -2.02 -0.04 0.00 -0.30 0.00 0.00 42.92 40.40 3duk s ASP 80 CO -0.27 -0.49 0.07 -0.63 -0.17 0.00 0.00 175.17 173.68 3duk s ILE 81 N 1.50 4.75 -0.44 4.11 1.01 -1.26 -0.71 121.20 130.15 3duk s ILE 81 Ca 0.03 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.44 3duk s ILE 81 Cb -0.22 -3.12 0.20 0.00 0.01 0.00 0.00 42.46 39.33 3duk s ILE 81 CO 0.04 0.44 0.54 0.55 0.00 0.00 0.00 174.94 176.52 3duk n VAL 82 N 1.49 -0.66 0.00 2.92 3.14 -0.70 -4.88 118.33 119.63 3duk n VAL 82 Ca -0.15 -2.70 0.00 0.00 -2.96 0.00 0.00 64.34 58.53 3duk n VAL 82 Cb 0.53 -0.67 0.00 0.00 -1.06 0.00 0.00 33.84 32.64 3duk n VAL 82 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3duk n GLY 83 N 2.42 2.17 0.02 7.55 0.00 -1.26 -3.60 105.19 112.49 3duk n GLY 83 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -4.31 2.61 -2.24 -1.26 -4.93 114.28 104.14 3duk n THR 84 Ca 0.00 -0.49 -0.16 0.00 -2.27 0.00 0.00 64.05 61.13 3duk n THR 84 Cb 0.00 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.14 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 -0.51 0.88 0.17 2.28 -7.23 -1.24 -1.14 120.40 113.61 3duk s VAL 85 Ca 0.01 -2.01 -0.20 0.00 -1.81 0.00 0.00 61.98 57.96 3duk s VAL 85 Cb 0.01 -2.35 0.05 0.00 0.56 0.00 0.00 36.38 34.64 3duk s VAL 85 CO 0.02 -0.30 0.56 0.00 -0.31 0.00 0.00 175.10 175.07 3duk s ALA 86 N -3.53 -1.29 0.17 1.32 0.00 -0.66 -1.73 121.76 116.04 3duk s ALA 86 Ca 0.29 0.16 0.10 0.00 0.00 0.00 0.00 51.96 52.51 3duk s ALA 86 Cb 0.06 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 3duk s ALA 86 CO 0.09 -0.78 -0.19 -1.58 0.00 0.00 0.00 175.76 173.30 3duk s HIS 87 N -3.80 2.45 -0.13 0.00 5.65 0.11 -0.72 115.29 118.86 3duk s HIS 87 Ca 0.04 -0.30 -0.18 0.00 0.25 0.00 0.00 55.06 54.87 3duk s HIS 87 Cb -0.01 -1.24 0.04 0.00 -1.18 0.00 0.00 32.58 30.20 3duk s HIS 87 CO -0.09 0.46 0.47 0.00 -0.65 0.00 0.00 174.74 174.93 3duk s ALA 88 N -1.50 -1.17 0.02 1.58 0.00 -0.94 -0.87 121.76 118.88 3duk s ALA 88 Ca 0.21 1.11 0.07 0.00 0.00 0.00 0.00 51.96 53.35 3duk s ALA 88 Cb -0.09 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 3duk s ALA 88 CO 0.11 -0.25 -0.22 0.50 0.00 0.00 0.00 175.76 175.90 3duk s ARG 89 N -0.29 2.06 -0.03 0.00 3.52 -0.40 -0.84 118.95 122.97 3duk s ARG 89 Ca -0.04 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 54.59 3duk s ARG 89 Cb -0.03 -2.12 0.03 0.00 -1.56 0.00 0.00 34.95 31.26 3duk s ARG 89 CO 0.03 0.55 0.00 0.08 -0.81 0.00 0.00 175.30 175.14 3duk s VAL 90 N -0.80 0.16 -0.18 7.11 1.01 -0.62 -1.31 120.40 125.78 3duk s VAL 90 Ca 0.12 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 3duk s VAL 90 Cb -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 3duk s VAL 90 CO 0.02 0.13 0.05 -1.61 0.00 0.00 0.00 175.10 173.70 3duk s GLU 91 N 0.94 3.94 -0.03 2.72 0.41 -0.13 -0.71 118.70 125.84 3duk s GLU 91 Ca -0.09 -0.36 0.07 0.00 -0.41 0.00 0.00 54.97 54.18 3duk s GLU 91 Cb -0.13 -3.19 -0.02 0.00 -1.78 0.00 0.00 34.13 29.01 3duk s GLU 91 CO -0.02 0.26 -0.26 0.00 -0.49 0.00 0.00 175.26 174.75 3duk s ALA 92 N 0.41 2.17 0.05 5.21 0.00 -0.26 -1.07 121.76 128.28 3duk s ALA 92 Ca 0.02 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 50.93 3duk s ALA 92 Cb -0.13 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 3duk s ALA 92 CO 0.01 0.51 -0.14 -1.21 0.00 0.00 0.00 175.76 174.92 3duk s GLU 93 N -0.51 0.91 -1.45 0.00 2.02 0.01 -1.06 118.70 118.62 3duk s GLU 93 Ca 0.07 -0.83 -0.12 0.00 0.02 0.00 0.00 54.97 54.11 3duk s GLU 93 Cb -0.11 -0.93 0.09 0.00 0.10 0.00 0.00 34.13 33.28 3duk s GLU 93 CO 0.00 0.22 0.70 -1.71 0.02 0.00 0.00 175.26 174.49 3duk n ASN 94 N 1.69 -4.19 -4.56 -0.19 2.85 -0.22 -1.43 115.26 109.21 3duk n ASN 94 Ca -0.19 -0.60 -0.32 0.00 -0.11 0.00 0.00 54.58 53.35 3duk n ASN 94 Cb 0.54 -3.41 -0.04 0.00 1.24 0.00 0.00 39.78 38.11 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 -3.12 2.11 -1.41 1.20 -0.11 -0.38 -3.10 118.94 114.12 3duk s TRP 95 Ca 0.53 0.02 -0.03 0.00 1.22 0.00 0.00 56.10 57.84 3duk s TRP 95 Cb -0.28 -4.30 0.00 0.00 -1.50 0.00 0.00 33.47 27.39 3duk s TRP 95 CO 0.66 -1.80 0.35 0.25 -4.62 0.00 0.00 176.95 171.79 3duk n THR 96 N 7.47 -2.73 -1.16 5.86 -2.24 -1.26 -1.37 114.28 118.85 3duk n THR 96 Ca 0.38 -0.54 -0.06 0.00 -2.27 0.00 0.00 64.05 61.57 3duk n THR 96 Cb 0.48 -2.34 -0.02 0.00 -2.10 0.00 0.00 70.33 66.35 3duk n THR 96 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3duk n ASN 97 N -2.90 -3.81 -4.58 3.42 3.02 -1.24 -5.02 115.26 104.15 3duk n ASN 97 Ca -0.29 0.14 -0.26 0.00 -0.03 0.00 0.00 54.58 54.14 3duk n ASN 97 Cb 0.68 -1.79 -0.09 0.00 -0.61 0.00 0.00 39.78 37.97 3duk n ASN 97 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3duk s PHE 98 N -2.16 2.63 -0.14 3.10 0.08 -0.47 -4.86 117.98 116.16 3duk s PHE 98 Ca 0.00 -0.23 0.01 0.00 0.12 0.00 0.00 56.93 56.83 3duk s PHE 98 Cb 0.00 -1.25 0.02 0.00 -0.57 0.00 0.00 43.02 41.22 3duk s PHE 98 CO 0.00 0.55 -0.16 0.21 -0.10 0.00 0.00 175.22 175.71 3duk s LYS 99 N -3.04 2.48 0.05 0.44 2.20 -1.26 -1.06 119.74 119.54 3duk s LYS 99 Ca 0.27 -0.64 0.09 0.00 -0.36 0.00 0.00 55.97 55.33 3duk s LYS 99 Cb -0.08 -2.18 -0.03 0.00 -1.51 0.00 0.00 37.83 34.04 3duk s LYS 99 CO 0.16 -0.17 -0.25 -0.06 -0.36 0.00 0.00 175.35 174.67 3duk s PHE 100 N 1.28 2.18 -0.23 4.03 0.08 -0.22 -1.70 117.98 123.39 3duk s PHE 100 Ca 0.01 -0.40 -0.03 0.00 0.12 0.00 0.00 56.93 56.63 3duk s PHE 100 Cb -0.14 -1.30 0.01 0.00 -0.57 0.00 0.00 43.02 41.02 3duk s PHE 100 CO -0.08 0.12 -0.06 -1.12 -0.10 0.00 0.00 175.22 173.98 3duk s SER 101 N -1.23 4.22 -0.13 1.36 0.01 -0.76 -1.10 113.70 116.07 3duk s SER 101 Ca 0.11 -0.62 -0.05 0.00 1.31 0.00 0.00 55.95 56.69 3duk s SER 101 Cb -0.10 -1.69 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 3duk s SER 101 CO 0.02 -0.07 0.06 -1.81 0.41 0.00 0.00 173.24 171.85 3duk s ASP 102 N 1.40 5.67 -0.08 2.44 1.01 0.11 -1.42 116.67 125.81 3duk s ASP 102 Ca 0.03 0.19 0.05 0.00 0.71 0.00 0.00 52.55 53.53 3duk s ASP 102 Cb -0.15 -1.83 -0.01 0.00 1.01 0.00 0.00 42.92 41.94 3duk s ASP 102 CO -0.04 0.30 -0.23 -0.76 0.21 0.00 0.00 175.17 174.65 3duk s LEU 103 N -0.38 2.20 0.07 1.23 1.43 -0.34 -1.58 118.68 121.30 3duk s LEU 103 Ca 0.09 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 3duk s LEU 103 Cb -0.12 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 3duk s LEU 103 CO 0.02 0.22 -0.18 -0.36 0.23 0.00 0.00 176.35 176.28 3duk s PHE 104 N -0.01 1.55 -0.09 0.29 0.08 -0.02 -1.56 117.98 118.22 3duk s PHE 104 Ca -0.07 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 56.61 3duk s PHE 104 Cb -0.15 -0.88 -0.01 0.00 -0.57 0.00 0.00 43.02 41.41 3duk s PHE 104 CO 0.05 0.12 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.57 3duk s LEU 105 N -1.57 2.29 0.17 -0.37 1.43 -0.95 -2.21 118.68 117.47 3duk s LEU 105 Ca 0.04 -0.46 0.10 0.00 -1.03 0.00 0.00 54.13 52.78 3duk s LEU 105 Cb -0.09 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 3duk s LEU 105 CO 0.03 0.21 -0.22 -0.76 0.23 0.00 0.00 176.35 175.83 3duk s LEU 106 N 0.07 2.42 -0.05 1.79 1.02 0.10 -1.37 118.68 122.67 3duk s LEU 106 Ca -0.09 -0.85 0.02 0.00 0.02 0.00 0.00 54.13 53.23 3duk s LEU 106 Cb -0.15 -1.04 0.01 0.00 0.02 0.00 0.00 46.19 45.04 3duk s LEU 106 CO 0.06 0.07 -0.09 -0.22 0.02 0.00 0.00 176.35 176.19 3duk s LEU 107 N -2.58 1.56 -1.22 1.79 2.96 -0.02 -1.66 118.68 119.50 3duk s LEU 107 Ca 0.18 -0.22 -0.19 0.00 -0.22 0.00 0.00 54.13 53.68 3duk s LEU 107 Cb -0.07 -0.64 0.07 0.00 0.50 0.00 0.00 46.19 46.05 3duk s LEU 107 CO 0.08 0.01 1.66 -0.75 -1.32 0.00 0.00 176.35 176.03 3duk s LYS 108 N 0.66 3.88 -0.44 1.98 2.20 -0.30 -1.37 119.74 126.36 3duk s LYS 108 Ca -0.11 -1.77 -0.29 0.00 -0.36 0.00 0.00 55.97 53.43 3duk s LYS 108 Cb -0.14 -5.48 0.02 0.00 -1.51 0.00 0.00 37.83 30.72 3duk s LYS 108 CO 0.02 -2.24 1.25 -1.17 -0.36 0.00 0.00 175.35 172.85 3duk s LEU 109 N 4.39 3.64 -1.46 5.43 2.96 0.12 -3.74 118.68 130.01 3duk s LEU 109 Ca 0.52 0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 55.00 3duk s LEU 109 Cb 0.03 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.21 3duk s LEU 109 CO 0.03 -1.30 0.83 0.47 -1.32 0.00 0.00 176.35 175.06 3duk n ASP 110 N 8.18 -5.53 0.00 3.68 8.00 -1.26 -1.63 116.55 127.98 3duk n ASP 110 Ca 0.14 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.16 3duk n ASP 110 Cb 0.48 -4.44 0.00 0.00 -0.02 0.00 0.00 41.12 37.15 3duk n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3duk n GLY 111 N -1.64 0.96 3.21 0.44 0.00 -1.25 -5.04 105.19 101.88 3duk n GLY 111 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3duk n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3duk s LYS 112 N -0.55 2.39 0.35 1.61 0.00 -0.65 -5.06 119.74 117.83 3duk s LYS 112 Ca 0.00 -0.79 -0.26 0.00 0.00 0.00 0.00 55.97 54.92 3duk s LYS 112 Cb 0.00 -1.98 -0.09 0.00 0.00 0.00 0.00 37.83 35.76 3duk s LYS 112 CO 0.00 0.29 1.02 -1.58 0.00 0.00 0.00 175.35 175.08 3duk s TRP 113 N 0.04 3.49 -0.04 1.78 0.52 -1.26 0.12 118.94 123.57 3duk s TRP 113 Ca -0.07 1.71 -0.23 0.00 0.02 0.00 0.00 56.10 57.53 3duk s TRP 113 Cb -0.14 -3.09 0.05 0.00 -1.15 0.00 0.00 33.47 29.14 3duk s TRP 113 CO 0.04 -0.32 0.50 -0.08 0.02 0.00 0.00 176.95 177.12 3duk s THR 114 N -1.53 0.03 -0.18 2.01 -1.32 -0.47 -4.88 115.64 109.30 3duk s THR 114 Ca 0.52 -0.22 -0.27 0.00 -1.21 0.00 0.00 61.69 60.52 3duk s THR 114 Cb -0.23 -0.81 -0.01 0.00 -1.51 0.00 0.00 72.50 69.94 3duk s THR 114 CO 0.29 -0.12 0.91 -0.63 -2.21 0.00 0.00 174.62 172.86 3duk s ILE 115 N -1.16 4.81 -0.15 5.08 1.01 -0.52 -0.84 121.20 129.42 3duk s ILE 115 Ca -0.11 1.78 0.18 0.00 0.00 0.00 0.00 60.65 62.49 3duk s ILE 115 Cb -0.03 -4.20 -0.25 0.00 0.01 0.00 0.00 42.46 37.99 3duk s ILE 115 CO 0.07 -0.04 0.15 1.33 0.00 0.00 0.00 174.94 176.45 3duk n VAL 116 N 4.91 1.01 -4.00 2.92 0.24 -0.47 -1.01 118.33 121.93 3duk n VAL 116 Ca 0.07 -0.73 -0.10 0.00 -2.04 0.00 0.00 64.34 61.54 3duk n VAL 116 Cb 0.48 -0.38 -0.11 0.00 -1.47 0.00 0.00 33.84 32.36 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 -5.11 0.39 -0.14 -1.34 0.02 -1.03 -1.73 114.94 105.99 3duk s ASN 117 Ca -0.09 -0.49 -0.08 0.00 -1.02 0.00 0.00 52.86 51.18 3duk s ASN 117 Cb 0.07 0.08 0.05 0.00 0.02 0.00 0.00 41.25 41.47 3duk s ASN 117 CO 0.79 -0.26 0.34 -0.75 0.02 0.00 0.00 177.10 177.24 3duk s LYS 118 N -1.42 0.32 0.17 -0.60 2.20 -0.58 -2.25 119.74 117.58 3duk s LYS 118 Ca -0.14 0.67 0.08 0.00 -0.36 0.00 0.00 55.97 56.22 3duk s LYS 118 Cb -0.10 -0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 36.13 3duk s LYS 118 CO -0.01 -0.15 -0.16 0.14 -0.36 0.00 0.00 175.35 174.81 3duk s VAL 119 N 1.28 1.72 0.09 4.02 -7.23 -0.60 -1.56 120.40 118.12 3duk s VAL 119 Ca -0.09 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.01 3duk s VAL 119 Cb -0.09 -1.87 -0.01 0.00 0.56 0.00 0.00 36.38 34.97 3duk s VAL 119 CO -0.10 -0.44 0.16 0.72 -0.31 0.00 0.00 175.10 175.13 3duk s PHE 120 N -2.41 0.26 -0.10 2.82 -0.12 -0.97 -1.20 117.98 116.26 3duk s PHE 120 Ca 0.17 -0.70 0.03 0.00 -0.05 0.00 0.00 56.93 56.38 3duk s PHE 120 Cb -0.04 -0.13 0.01 0.00 -0.63 0.00 0.00 43.02 42.23 3duk s PHE 120 CO 0.06 -0.53 -0.20 -1.58 -0.05 0.00 0.00 175.22 172.92 3duk s HIS 121 N -3.89 2.22 -0.30 3.49 2.46 -0.50 -4.40 115.29 114.37 3duk s HIS 121 Ca 0.07 -0.94 -0.17 0.00 0.47 0.00 0.00 55.06 54.49 3duk s HIS 121 Cb 0.05 -1.52 -0.02 0.00 -0.13 0.00 0.00 32.58 30.96 3duk s HIS 121 CO -0.09 -0.41 0.48 -1.17 -2.47 0.00 0.00 174.74 171.07 3duk s LEU 122 N 0.55 4.16 0.20 8.88 2.96 -1.26 -1.83 118.68 132.34 3duk s LEU 122 Ca -0.15 0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.71 3duk s LEU 122 Cb -0.17 -2.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.87 3duk s LEU 122 CO 0.05 -0.33 1.15 -1.00 -1.32 0.00 0.00 176.35 174.90 3duk s HIS 123 N 2.28 3.50 -2.00 5.38 3.76 -0.69 -5.00 115.29 122.51 3duk s HIS 123 Ca 0.19 1.53 0.27 0.00 -0.15 0.00 0.00 55.06 56.90 3duk s HIS 123 Cb -0.16 -3.36 1.61 0.00 1.11 0.00 0.00 32.58 31.78 3duk s HIS 123 CO 0.11 -0.91 1.95 0.00 -0.85 0.00 0.00 174.74 175.05