#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 4.00 0.00 1.61 0.15 -1.26 -5.21 113.70 112.99 3duk s SER 2 Ca 0.00 -0.36 0.27 0.00 0.70 0.00 0.00 55.95 56.56 3duk s SER 2 Cb 0.00 -0.73 0.78 0.00 -1.71 0.00 0.00 66.02 64.37 3duk s SER 2 CO 0.00 0.26 1.59 1.33 1.20 0.00 0.00 173.24 177.62 3duk n VAL 3 N 1.55 0.00 -1.68 4.45 0.24 -1.26 -4.18 118.33 117.45 3duk n VAL 3 Ca -0.16 -0.25 -0.45 0.00 -2.04 0.00 0.00 64.34 61.44 3duk n VAL 3 Cb 0.52 0.66 -0.04 0.00 -1.47 0.00 0.00 33.84 33.51 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 0.10 2.48 -2.14 7.34 4.81 -1.26 -4.37 118.16 125.13 3duk n LYS 4 Ca 0.16 0.91 -0.42 0.00 -0.87 0.00 0.00 58.31 58.08 3duk n LYS 4 Cb 0.39 -2.78 -0.03 0.00 0.02 0.00 0.00 35.03 32.64 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 3.35 3.35 0.12 3.15 1.01 -1.26 -4.91 120.40 125.21 3duk s VAL 5 Ca 0.87 0.89 0.10 0.00 0.00 0.00 0.00 61.98 63.85 3duk s VAL 5 Cb -0.58 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3duk s VAL 5 CO 0.44 0.04 -0.25 -0.94 0.00 0.00 0.00 175.10 174.39 3duk s SER 6 N 1.50 3.05 0.61 3.32 1.04 -1.26 -5.00 113.70 116.96 3duk s SER 6 Ca 0.66 -0.73 0.31 0.00 0.48 0.00 0.00 55.95 56.67 3duk s SER 6 Cb -0.36 -0.19 1.76 0.00 0.10 0.00 0.00 66.02 67.33 3duk s SER 6 CO 0.29 0.13 2.11 0.58 0.98 0.00 0.00 173.24 177.34 3duk h VAL 7 N 3.93 0.34 0.04 5.02 2.07 -1.99 -2.25 116.25 123.42 3duk h VAL 7 Ca -0.49 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3duk h VAL 7 Cb 1.17 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3duk h VAL 7 CO 0.39 0.00 -0.02 -0.78 0.02 0.00 0.00 177.57 177.18 3duk h ASP 8 N 0.00 -0.05 0.80 0.57 3.58 -1.99 -2.52 116.42 116.81 3duk h ASP 8 Ca 0.06 -0.35 -0.14 0.00 0.42 0.00 0.00 57.03 57.02 3duk h ASP 8 Cb 0.45 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 3duk h ASP 8 CO -0.00 0.33 -0.67 0.44 -2.88 0.00 0.00 179.24 176.46 3duk h ASP 9 N -0.44 0.00 -0.58 2.28 3.32 -1.89 -1.46 116.42 117.64 3duk h ASP 9 Ca -0.01 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3duk h ASP 9 Cb 0.40 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3duk h ASP 9 CO 0.01 0.67 0.23 0.40 -1.72 0.00 0.00 179.24 178.83 3duk h ILE 10 N 0.00 1.22 0.07 0.35 2.04 -1.43 -0.91 117.51 118.86 3duk h ILE 10 Ca -0.01 -0.71 -0.25 0.00 1.00 0.00 0.00 64.86 64.89 3duk h ILE 10 Cb 1.25 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3duk h ILE 10 CO 0.09 0.28 -1.19 0.44 0.00 0.00 0.00 178.15 177.77 3duk h ASP 11 N 0.89 0.25 0.24 1.72 3.32 -1.23 -1.87 116.42 119.74 3duk h ASP 11 Ca 0.21 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 3duk h ASP 11 Cb 0.19 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3duk h ASP 11 CO -0.02 1.22 -0.32 1.23 -1.72 0.00 0.00 179.24 179.63 3duk h GLY 12 N 2.20 0.13 1.43 2.75 0.00 -1.06 0.31 103.07 108.84 3duk h GLY 12 Ca -0.10 -0.11 -0.29 0.00 0.00 0.00 0.00 47.33 46.84 3duk h GLY 12 CO 0.17 0.10 -1.39 -2.22 0.00 0.00 0.00 176.54 173.20 3duk h ILE 13 N 0.11 1.32 -0.31 2.60 2.04 -1.19 -3.14 117.51 118.94 3duk h ILE 13 Ca 0.01 -2.94 -0.10 0.00 1.00 0.00 0.00 64.86 62.84 3duk h ILE 13 Cb 0.62 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 3duk h ILE 13 CO 0.05 0.85 -0.21 0.74 0.00 0.00 0.00 178.15 179.57 3duk h THR 14 N 0.07 1.26 -0.26 -0.27 2.02 -1.14 -1.93 112.91 112.66 3duk h THR 14 Ca -0.19 -1.24 -0.06 0.00 0.77 0.00 0.00 66.41 65.69 3duk h THR 14 Cb 1.99 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 69.65 3duk h THR 14 CO 0.18 0.40 -0.07 -0.08 0.37 0.00 0.00 175.52 176.32 3duk h GLU 15 N 0.51 0.51 -0.08 6.66 4.81 -1.00 0.28 114.58 126.26 3duk h GLU 15 Ca 0.08 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 3duk h GLU 15 Cb 0.65 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3duk h GLU 15 CO 0.05 0.72 -0.49 -0.24 -0.73 0.00 0.00 179.01 178.32 3duk h VAL 16 N 0.25 1.35 0.00 0.32 3.04 -1.53 -2.35 116.25 117.32 3duk h VAL 16 Ca 0.07 -1.72 -0.12 0.00 -1.01 0.00 0.00 66.70 63.92 3duk h VAL 16 Cb 0.54 1.83 -0.02 0.00 -2.01 0.00 0.00 31.29 31.63 3duk h VAL 16 CO 0.03 0.51 -0.58 -0.07 -1.01 0.00 0.00 177.57 176.44 3duk h LEU 17 N 0.16 0.00 -1.09 3.16 3.38 -1.14 -2.51 115.31 117.28 3duk h LEU 17 Ca 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3duk h LEU 17 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3duk h LEU 17 CO 0.07 0.58 -0.31 0.78 0.09 0.00 0.00 178.44 179.65 3duk h ASN 18 N 0.00 0.00 -0.20 -0.43 2.35 -0.60 -2.96 115.58 113.74 3duk h ASN 18 Ca -0.01 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3duk h ASN 18 Cb 1.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 3duk h ASN 18 CO 0.08 0.31 -0.06 0.58 -1.65 0.00 0.00 177.43 176.68 3duk h VAL 19 N 0.00 1.29 0.00 2.81 2.07 -0.99 -0.83 116.25 120.61 3duk h VAL 19 Ca -0.00 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3duk h VAL 19 Cb 0.79 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3duk h VAL 19 CO 0.04 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.96 3duk n TYR 20 N -4.61 0.00 0.00 1.57 9.36 -1.11 -1.72 117.16 120.66 3duk n TYR 20 Ca -0.05 -0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.17 3duk n TYR 20 Cb 0.29 -0.03 0.00 0.00 -0.63 0.00 0.00 39.34 38.97 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 0.38 0.00 0.08 2.98 3.02 -0.32 -1.48 115.26 119.92 3duk n ASN 22 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 3duk n ASN 22 Cb 0.07 0.00 0.33 0.00 -0.61 0.00 0.00 39.78 39.58 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 1.40 -0.37 5.41 0.00 -1.56 -1.22 119.26 122.92 3duk h ALA 23 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3duk h ALA 23 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3duk h ALA 23 CO 0.00 0.42 0.19 0.00 0.00 0.00 0.00 179.25 179.86 3duk h ALA 24 N 1.55 0.45 0.22 0.00 0.00 -1.52 -0.48 119.26 119.50 3duk h ALA 24 Ca 0.06 0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.65 3duk h ALA 24 Cb 0.44 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.19 3duk h ALA 24 CO 0.03 -0.17 -1.43 1.49 0.00 0.00 0.00 179.25 179.17 3duk h GLU 25 N 0.39 0.52 0.00 0.00 4.81 -1.62 -0.81 114.58 117.86 3duk h GLU 25 Ca 0.15 -0.86 -0.06 0.00 -0.13 0.00 0.00 59.36 58.47 3duk h GLU 25 Cb 0.05 0.31 -0.11 0.00 0.63 0.00 0.00 28.75 29.64 3duk h GLU 25 CO -0.10 1.41 -0.48 -1.13 -0.73 0.00 0.00 179.01 177.98 3duk n SER 26 N -3.70 0.10 -4.46 1.04 3.41 -0.52 -2.77 113.62 106.72 3duk n SER 26 Ca -0.15 -1.77 -0.28 0.00 -0.26 0.00 0.00 58.87 56.41 3duk n SER 26 Cb 1.08 -0.11 -0.09 0.00 -0.26 0.00 0.00 64.21 64.83 3duk n SER 26 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3duk s GLY 27 N -1.00 2.64 0.46 5.00 0.00 -0.19 -4.94 107.32 109.30 3duk s GLY 27 Ca 0.08 -1.24 0.08 0.00 0.00 0.00 0.00 44.72 43.63 3duk s GLY 27 CO -0.04 -1.99 0.62 -0.51 0.00 0.00 0.00 173.10 171.19 3duk s THR 28 N -3.05 2.84 0.21 0.90 -4.23 -1.26 -4.39 115.64 106.66 3duk s THR 28 Ca 0.22 -0.97 -0.09 0.00 -1.18 0.00 0.00 61.69 59.67 3duk s THR 28 Cb 0.04 -2.87 0.15 0.00 1.34 0.00 0.00 72.50 71.15 3duk s THR 28 CO 0.11 0.00 1.78 1.23 -0.54 0.00 0.00 174.62 177.21 3duk h GLY 29 N 0.51 1.20 1.23 3.99 0.00 -1.83 -2.46 103.07 105.73 3duk h GLY 29 Ca -0.39 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.26 3duk h GLY 29 CO 0.45 0.59 0.17 0.83 0.00 0.00 0.00 176.54 178.58 3duk h GLU 30 N 1.09 0.96 -1.70 4.80 3.07 -1.95 -1.85 114.58 118.99 3duk h GLU 30 Ca 0.26 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3duk h GLU 30 Cb 0.16 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3duk h GLU 30 CO -0.03 0.84 0.00 0.39 -1.40 0.00 0.00 179.01 178.81 3duk n GLU 31 N -4.26 0.51 0.00 2.33 1.02 -0.93 -3.77 120.64 115.54 3duk n GLU 31 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3duk n GLU 31 Cb 0.23 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 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 1.17 0.00 0.07 1.62 3.41 -0.70 -4.61 113.62 114.58 3duk n SER 33 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 3duk n SER 33 Cb 0.26 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.58 3duk n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3duk n ALA 34 N 0.00 1.51 0.54 7.33 0.00 -1.25 -1.34 120.51 127.30 3duk n ALA 34 Ca 0.00 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.57 3duk n ALA 34 Cb 0.00 -1.27 0.13 0.00 0.00 0.00 0.00 19.45 18.30 3duk n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3duk n ALA 35 N -1.64 2.43 -2.60 0.00 0.00 -1.26 -4.97 120.51 112.47 3duk n ALA 35 Ca 0.02 -0.80 -0.30 0.00 0.00 0.00 0.00 53.44 52.36 3duk n ALA 35 Cb 0.16 -0.68 -0.16 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.48 2.21 0.74 0.00 0.08 -0.45 -1.61 117.98 117.48 3duk s PHE 36 Ca 0.27 -0.56 -0.16 0.00 0.12 0.00 0.00 56.93 56.61 3duk s PHE 36 Cb 0.17 -1.44 0.00 0.00 -0.57 0.00 0.00 43.02 41.18 3duk s PHE 36 CO 0.25 -0.13 0.82 1.58 -0.10 0.00 0.00 175.22 177.64 3duk n HIS 37 N 2.78 0.16 0.31 0.36 -0.00 -0.32 -4.88 115.22 113.63 3duk n HIS 37 Ca -0.17 0.37 0.20 0.00 -0.00 0.00 0.00 57.72 58.12 3duk n HIS 37 Cb 0.52 -2.02 0.93 0.00 -0.00 0.00 0.00 29.99 29.42 3duk n HIS 37 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 3duk h LYS 38 N -0.43 0.00 -0.13 1.57 2.10 -1.92 -2.45 116.57 115.30 3duk h LYS 38 Ca -0.46 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.17 3duk h LYS 38 Cb 1.33 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.65 3duk h LYS 38 CO 0.45 0.00 -0.05 -0.25 -2.00 0.00 0.00 179.45 177.60 3duk n ASP 39 N -3.09 2.89 -4.71 7.07 8.00 -1.26 -5.05 116.55 120.41 3duk n ASP 39 Ca -0.01 -3.20 -0.31 0.00 0.71 0.00 0.00 54.79 51.98 3duk n ASP 39 Cb 0.20 -0.50 0.14 0.00 -0.02 0.00 0.00 41.12 40.94 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 -2.93 1.75 0.30 2.24 0.00 -0.93 -4.99 121.76 117.20 3duk s ALA 40 Ca 0.38 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.89 3duk s ALA 40 Cb 0.32 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.99 3duk s ALA 40 CO 0.04 -2.40 0.00 0.95 0.00 0.00 0.00 175.76 174.35 3duk s THR 41 N -2.69 1.36 -0.16 0.00 -4.23 -0.70 -3.52 115.64 105.69 3duk s THR 41 Ca 0.65 -2.05 -0.07 0.00 -1.18 0.00 0.00 61.69 59.04 3duk s THR 41 Cb -0.21 -2.60 0.07 0.00 1.34 0.00 0.00 72.50 71.09 3duk s THR 41 CO 0.57 -0.16 0.36 -0.51 -0.54 0.00 0.00 174.62 174.33 3duk s ILE 42 N -3.19 -0.23 0.05 2.99 2.07 -0.04 -1.67 121.20 121.18 3duk s ILE 42 Ca 0.33 0.15 0.08 0.00 -1.41 0.00 0.00 60.65 59.80 3duk s ILE 42 Cb 0.07 -0.56 -0.03 0.00 0.13 0.00 0.00 42.46 42.07 3duk s ILE 42 CO 0.13 0.06 -0.23 -0.36 -1.91 0.00 0.00 174.94 172.64 3duk s PHE 43 N 1.82 1.99 0.00 3.50 0.40 -0.57 -1.21 117.98 123.90 3duk s PHE 43 Ca -0.06 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 3duk s PHE 43 Cb -0.10 -1.17 0.00 0.00 0.51 0.00 0.00 43.02 42.25 3duk s PHE 43 CO -0.11 0.12 0.00 0.41 0.70 0.00 0.00 175.22 176.34 3duk n GLY 44 N 1.72 1.77 3.90 4.36 0.00 -0.97 -2.54 105.19 113.43 3duk n GLY 44 Ca -0.17 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.00 3.53 -0.41 1.61 2.02 -1.26 -2.36 117.35 118.48 3duk s TYR 45 Ca 0.00 0.43 0.02 0.00 -0.37 0.00 0.00 57.07 57.15 3duk s TYR 45 Cb 0.00 -1.90 0.12 0.00 -0.40 0.00 0.00 41.96 39.78 3duk s TYR 45 CO 0.00 0.56 0.18 0.08 -1.57 0.00 0.00 175.55 174.79 3duk s VAL 46 N -1.47 1.63 0.00 0.71 1.01 0.20 -4.43 120.40 118.05 3duk s VAL 46 Ca 0.34 -2.37 0.00 0.00 0.00 0.00 0.00 61.98 59.94 3duk s VAL 46 Cb -0.13 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3duk s VAL 46 CO 0.23 -0.78 0.00 0.61 0.00 0.00 0.00 175.10 175.16 3duk n GLY 47 N 3.90 0.36 0.20 4.51 0.00 -1.26 -3.03 105.19 109.88 3duk n GLY 47 Ca 0.05 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 6.05 0.91 -4.80 1.61 3.85 -1.26 -4.89 116.55 118.01 3duk n ASP 48 Ca 0.00 -0.77 -0.38 0.00 -0.71 0.00 0.00 54.79 52.93 3duk n ASP 48 Cb 0.00 0.14 -0.06 0.00 -1.35 0.00 0.00 41.12 39.85 3duk n ASP 48 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3duk s LYS 49 N -2.57 4.06 -1.21 0.11 -2.85 -1.17 -5.01 119.74 111.10 3duk s LYS 49 Ca 0.23 0.41 -0.17 0.00 -1.00 0.00 0.00 55.97 55.44 3duk s LYS 49 Cb 0.19 -3.29 0.11 0.00 -2.06 0.00 0.00 37.83 32.79 3duk s LYS 49 CO 0.54 0.53 1.55 -1.17 0.10 0.00 0.00 175.35 176.90 3duk s LEU 50 N -0.56 4.39 0.40 2.77 2.96 -1.26 -0.63 118.68 126.75 3duk s LEU 50 Ca 0.24 -2.56 0.09 0.00 -0.22 0.00 0.00 54.13 51.68 3duk s LEU 50 Cb -0.16 -2.49 0.82 0.00 0.50 0.00 0.00 46.19 44.85 3duk s LEU 50 CO 0.12 -1.02 1.96 0.00 -1.32 0.00 0.00 176.35 176.09 3duk h ALA 51 N 7.68 1.57 -3.13 5.97 0.00 -1.82 -3.39 119.26 126.14 3duk h ALA 51 Ca 0.35 -0.15 -0.67 0.00 0.00 0.00 0.00 54.91 54.44 3duk h ALA 51 Cb 0.89 -0.10 -0.34 0.00 0.00 0.00 0.00 17.79 18.24 3duk h ALA 51 CO 1.34 0.32 -0.86 -0.06 0.00 0.00 0.00 179.25 179.99 3duk s PHE 52 N -4.93 2.73 -0.14 0.00 0.40 -1.00 -5.01 117.98 110.03 3duk s PHE 52 Ca -0.06 -1.47 0.17 0.00 -0.60 0.00 0.00 56.93 54.96 3duk s PHE 52 Cb 0.16 -1.87 0.43 0.00 0.51 0.00 0.00 43.02 42.25 3duk s PHE 52 CO 0.73 -0.70 1.19 0.27 0.70 0.00 0.00 175.22 177.41 3duk n ASN 53 N 4.33 1.71 0.00 1.36 0.23 -1.23 -2.30 115.26 119.37 3duk n ASN 53 Ca -0.20 -3.09 0.00 0.00 -0.53 0.00 0.00 54.58 50.76 3duk n ASN 53 Cb 0.51 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 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 -0.46 2.79 3.67 4.83 0.00 -0.35 -4.99 105.19 110.67 3duk n GLY 54 Ca 0.16 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 2.87 0.29 1.61 -0.02 -1.26 -0.86 135.00 137.63 3duk n PRO 55 Ca 0.00 1.05 0.18 0.00 -2.02 0.00 0.00 63.50 62.71 3duk n PRO 55 Cb 0.00 -3.00 0.79 0.00 -0.02 0.00 0.00 33.50 31.27 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 5.48 0.08 -0.00 4.25 6.09 -1.86 -2.67 117.51 128.87 3duk h ILE 56 Ca -0.49 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 62.55 3duk h ILE 56 Cb 1.24 1.41 -0.00 0.00 0.47 0.00 0.00 36.82 39.94 3duk h ILE 56 CO 0.94 0.03 0.00 0.50 -3.07 0.00 0.00 178.15 176.55 3duk h LYS 57 N 0.00 0.00 0.00 2.19 1.63 -1.89 -1.00 116.57 117.50 3duk h LYS 57 Ca -0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 3duk h LYS 57 Cb 0.41 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 3duk h LYS 57 CO 0.00 0.00 -0.22 -0.44 -3.45 0.00 0.00 179.45 175.34 3duk h ASP 58 N 0.00 0.00 0.16 4.20 3.32 -1.87 -1.82 116.42 120.41 3duk h ASP 58 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 3duk h ASP 58 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 3duk h ASP 58 CO -0.00 0.22 -1.00 0.25 -1.72 0.00 0.00 179.24 177.00 3duk h LEU 59 N 0.00 0.74 -0.39 1.55 5.85 -1.35 -2.72 115.31 118.99 3duk h LEU 59 Ca -0.00 -0.59 -0.18 0.00 0.84 0.00 0.00 57.88 57.95 3duk h LEU 59 Cb 0.75 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3duk h LEU 59 CO 0.03 1.39 -0.81 1.88 -0.34 0.00 0.00 178.44 180.60 3duk h TYR 60 N 0.32 0.16 -0.12 1.25 0.05 -1.36 -2.05 116.97 115.22 3duk h TYR 60 Ca -0.11 -0.08 -0.14 0.00 0.05 0.00 0.00 58.73 58.45 3duk h TYR 60 Cb 1.64 -0.02 0.01 0.00 1.01 0.00 0.00 36.73 39.37 3duk h TYR 60 CO 0.08 0.86 -0.46 -0.44 -1.05 0.00 0.00 178.16 177.15 3duk h ASP 61 N 0.06 0.61 -0.13 3.88 3.32 -1.43 -2.86 116.42 119.88 3duk h ASP 61 Ca -0.02 -0.62 -0.09 0.00 0.02 0.00 0.00 57.03 56.32 3duk h ASP 61 Cb 1.41 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 3duk h ASP 61 CO 0.11 1.13 -0.18 -0.25 -1.72 0.00 0.00 179.24 178.33 3duk h TRP 62 N 0.13 0.58 0.00 4.55 7.01 -1.49 -1.78 115.95 124.96 3duk h TRP 62 Ca -0.02 -0.11 -0.03 0.00 2.11 0.00 0.00 58.89 60.84 3duk h TRP 62 Cb 1.10 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 28.00 3duk h TRP 62 CO 0.11 0.68 -0.13 1.25 -2.79 0.00 0.00 178.44 177.57 3duk h HIS 63 N 0.48 0.00 0.13 2.65 2.76 -1.42 -0.58 115.15 119.17 3duk h HIS 63 Ca 0.08 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.95 3duk h HIS 63 Cb 0.59 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.58 3duk h HIS 63 CO 0.02 0.13 -1.26 -0.91 -1.30 0.00 0.00 177.93 174.60 3duk h ASN 64 N 0.00 0.85 0.36 3.26 2.35 -1.18 -2.16 115.58 119.06 3duk h ASN 64 Ca -0.00 -0.80 -0.02 0.00 -0.55 0.00 0.00 56.30 54.93 3duk h ASN 64 Cb 0.81 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3duk h ASN 64 CO 0.02 1.61 -0.17 0.28 -1.65 0.00 0.00 177.43 177.51 3duk h SER 65 N 0.26 -0.41 -0.90 5.81 0.02 -1.17 -3.30 113.55 113.86 3duk h SER 65 Ca -0.19 -0.02 0.08 0.00 -0.84 0.00 0.00 61.79 60.82 3duk h SER 65 Cb 1.94 0.11 -0.07 0.00 0.14 0.00 0.00 62.40 64.51 3duk h SER 65 CO 0.24 0.04 0.55 -1.13 -1.14 0.00 0.00 176.83 175.40 3duk h ASN 66 N -1.11 0.84 -4.46 3.07 -1.24 -1.29 -3.49 115.58 107.91 3duk h ASN 66 Ca -0.05 0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.99 3duk h ASN 66 Cb 0.40 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.31 3duk h ASN 66 CO 0.08 0.51 0.00 0.61 -1.29 0.00 0.00 177.43 177.34 3duk n GLY 67 N -1.34 -0.42 3.74 1.57 0.00 -0.81 -4.96 105.19 102.97 3duk n GLY 67 Ca 0.14 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 3duk n GLY 67 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3duk n PRO 68 N -0.42 1.60 -3.41 1.61 -0.02 -1.26 -4.90 135.00 128.21 3duk n PRO 68 Ca 0.00 0.59 -0.40 0.00 -2.02 0.00 0.00 63.50 61.67 3duk n PRO 68 Cb 0.00 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 30.88 3duk n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3duk n ALA 69 N -1.19 4.22 0.17 3.55 0.00 -0.31 -4.92 120.51 122.03 3duk n ALA 69 Ca 0.11 -4.67 0.08 0.00 0.00 0.00 0.00 53.44 48.96 3duk n ALA 69 Cb 0.45 -2.06 0.42 0.00 0.00 0.00 0.00 19.45 18.26 3duk n ALA 69 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3duk n LYS 70 N 2.20 0.10 -0.28 0.00 4.01 -1.11 -1.10 118.16 121.98 3duk n LYS 70 Ca 0.24 0.59 0.07 0.00 -0.51 0.00 0.00 58.31 58.70 3duk n LYS 70 Cb 0.37 -2.07 0.20 0.00 -0.51 0.00 0.00 35.03 33.02 3duk n LYS 70 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3duk n ASN 71 N -2.12 3.30 -4.75 4.39 5.03 -1.26 -5.02 115.26 114.83 3duk n ASN 71 Ca -0.01 -2.32 -0.40 0.00 0.87 0.00 0.00 54.58 52.72 3duk n ASN 71 Cb 0.25 -0.34 -0.06 0.00 -1.02 0.00 0.00 39.78 38.61 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 -1.58 3.97 -0.30 2.41 0.11 -0.26 -4.68 120.40 120.08 3duk s VAL 72 Ca 0.30 1.97 0.00 0.00 -2.93 0.00 0.00 61.98 61.32 3duk s VAL 72 Cb 0.20 -4.24 0.06 0.00 -1.53 0.00 0.00 36.38 30.86 3duk s VAL 72 CO 0.14 0.45 -0.02 -1.10 -3.33 0.00 0.00 175.10 171.25 3duk s GLN 73 N -1.28 2.27 -0.11 1.54 -1.52 -0.27 -4.95 119.66 115.34 3duk s GLN 73 Ca 0.42 -1.37 -0.02 0.00 -1.95 0.00 0.00 55.36 52.44 3duk s GLN 73 Cb -0.27 -3.12 -0.03 0.00 -0.22 0.00 0.00 33.01 29.37 3duk s GLN 73 CO 0.33 -0.66 -0.04 -1.12 -0.25 0.00 0.00 175.29 173.55 3duk s SER 74 N 1.22 4.83 -0.05 5.90 0.01 -1.26 -1.90 113.70 122.45 3duk s SER 74 Ca -0.04 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.19 3duk s SER 74 Cb -0.20 -1.50 0.02 0.00 0.21 0.00 0.00 66.02 64.55 3duk s SER 74 CO -0.03 0.28 -0.03 -0.13 0.41 0.00 0.00 173.24 173.74 3duk s ARG 75 N -0.31 0.73 0.04 12.44 1.81 -0.05 -4.97 118.95 128.63 3duk s ARG 75 Ca 0.05 -0.05 -0.30 0.00 -1.72 0.00 0.00 55.73 53.71 3duk s ARG 75 Cb -0.12 -0.81 -0.05 0.00 -0.45 0.00 0.00 34.95 33.51 3duk s ARG 75 CO 0.02 -0.12 1.22 0.42 -0.68 0.00 0.00 175.30 176.16 3duk s ILE 76 N 1.09 4.02 -0.01 1.52 1.01 -1.26 -0.80 121.20 126.76 3duk s ILE 76 Ca -0.09 1.43 0.06 0.00 0.00 0.00 0.00 60.65 62.05 3duk s ILE 76 Cb -0.14 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 3duk s ILE 76 CO -0.01 0.08 0.13 0.35 0.00 0.00 0.00 174.94 175.49 3duk n THR 77 N 4.11 0.01 -3.78 2.92 -2.24 -0.39 -4.97 114.28 109.94 3duk n THR 77 Ca 0.10 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 3duk n THR 77 Cb 0.46 0.34 -0.11 0.00 -2.10 0.00 0.00 70.33 68.92 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 -2.70 -0.26 -0.26 3.42 2.47 -1.21 -4.94 114.94 111.46 3duk s ASN 78 Ca -0.02 0.45 -0.03 0.00 0.42 0.00 0.00 52.86 53.68 3duk s ASN 78 Cb 0.04 0.51 0.10 0.00 -1.45 0.00 0.00 41.25 40.46 3duk s ASN 78 CO 0.24 -0.16 0.19 -0.63 -3.72 0.00 0.00 177.10 173.02 3duk s ILE 79 N -0.15 -0.21 -0.45 -5.21 1.01 -1.26 -1.85 121.20 113.08 3duk s ILE 79 Ca -0.03 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.06 3duk s ILE 79 Cb -0.03 -0.88 0.12 0.00 0.01 0.00 0.00 42.46 41.68 3duk s ILE 79 CO 0.01 -0.51 0.29 -0.62 0.00 0.00 0.00 174.94 174.11 3duk s ASP 80 N 2.22 5.52 0.04 3.58 2.15 0.37 -4.97 116.67 125.57 3duk s ASP 80 Ca 0.08 -1.97 -0.01 0.00 0.43 0.00 0.00 52.55 51.08 3duk s ASP 80 Cb -0.15 -1.93 -0.04 0.00 -0.30 0.00 0.00 42.92 40.49 3duk s ASP 80 CO -0.28 -0.63 0.20 -0.63 -0.17 0.00 0.00 175.17 173.66 3duk s ILE 81 N 1.26 5.38 -0.45 4.11 1.01 -1.26 -0.98 121.20 130.26 3duk s ILE 81 Ca 0.07 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.46 3duk s ILE 81 Cb -0.25 -3.59 0.22 0.00 0.01 0.00 0.00 42.46 38.85 3duk s ILE 81 CO -0.02 0.20 0.64 0.55 0.00 0.00 0.00 174.94 176.30 3duk n VAL 82 N 0.50 -0.45 0.00 2.92 3.14 -0.54 -4.87 118.33 119.02 3duk n VAL 82 Ca -0.07 -2.55 0.00 0.00 -2.96 0.00 0.00 64.34 58.76 3duk n VAL 82 Cb 0.51 -0.27 0.00 0.00 -1.06 0.00 0.00 33.84 33.02 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 2.05 2.21 0.02 7.55 0.00 -1.26 -3.61 105.19 112.16 3duk n GLY 83 Ca 0.18 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.30 2.61 -2.24 -1.26 -4.94 114.28 104.15 3duk n THR 84 Ca 0.00 -0.47 -0.16 0.00 -2.27 0.00 0.00 64.05 61.15 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 -0.94 1.28 0.21 2.28 -7.23 -1.24 -0.89 120.40 113.88 3duk s VAL 85 Ca 0.01 -2.09 -0.15 0.00 -1.81 0.00 0.00 61.98 57.94 3duk s VAL 85 Cb 0.01 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.91 3duk s VAL 85 CO 0.06 -0.57 0.49 0.00 -0.31 0.00 0.00 175.10 174.77 3duk s ALA 86 N -3.26 -0.61 0.03 1.32 0.00 -0.62 -1.47 121.76 117.15 3duk s ALA 86 Ca 0.22 -0.53 0.06 0.00 0.00 0.00 0.00 51.96 51.71 3duk s ALA 86 Cb 0.03 0.92 -0.02 0.00 0.00 0.00 0.00 23.12 24.04 3duk s ALA 86 CO 0.05 -0.81 -0.17 -1.58 0.00 0.00 0.00 175.76 173.25 3duk s HIS 87 N -3.93 1.46 0.01 0.00 5.65 -0.16 -1.08 115.29 117.23 3duk s HIS 87 Ca 0.14 -0.33 -0.05 0.00 0.25 0.00 0.00 55.06 55.07 3duk s HIS 87 Cb -0.01 -0.88 -0.01 0.00 -1.18 0.00 0.00 32.58 30.50 3duk s HIS 87 CO 0.02 0.04 0.08 0.00 -0.65 0.00 0.00 174.74 174.23 3duk s ALA 88 N -0.70 -0.16 0.03 1.58 0.00 -0.90 -0.48 121.76 121.13 3duk s ALA 88 Ca 0.05 -0.32 0.07 0.00 0.00 0.00 0.00 51.96 51.76 3duk s ALA 88 Cb -0.08 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 3duk s ALA 88 CO 0.01 -0.21 -0.22 0.50 0.00 0.00 0.00 175.76 175.85 3duk s ARG 89 N -1.56 1.53 -0.00 0.00 3.52 -0.77 -0.47 118.95 121.20 3duk s ARG 89 Ca -0.14 -0.91 0.03 0.00 -0.13 0.00 0.00 55.73 54.58 3duk s ARG 89 Cb -0.08 -1.61 -0.01 0.00 -1.56 0.00 0.00 34.95 31.70 3duk s ARG 89 CO 0.00 0.42 -0.09 0.08 -0.81 0.00 0.00 175.30 174.90 3duk s VAL 90 N -0.71 0.69 -0.20 7.11 1.01 -0.37 -1.26 120.40 126.66 3duk s VAL 90 Ca 0.08 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 3duk s VAL 90 Cb -0.09 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 3duk s VAL 90 CO 0.01 0.15 -0.05 -1.61 0.00 0.00 0.00 175.10 173.60 3duk s GLU 91 N -0.33 3.42 -0.09 2.72 0.41 0.02 -0.94 118.70 123.91 3duk s GLU 91 Ca 0.03 -0.62 0.01 0.00 -0.41 0.00 0.00 54.97 53.98 3duk s GLU 91 Cb -0.04 -2.96 -0.02 0.00 -1.78 0.00 0.00 34.13 29.33 3duk s GLU 91 CO -0.00 -0.09 -0.12 0.00 -0.49 0.00 0.00 175.26 174.56 3duk s ALA 92 N 1.20 2.73 0.03 5.21 0.00 -0.75 -0.87 121.76 129.29 3duk s ALA 92 Ca 0.02 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.12 3duk s ALA 92 Cb -0.14 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 3duk s ALA 92 CO -0.01 0.42 -0.17 -1.21 0.00 0.00 0.00 175.76 174.79 3duk s GLU 93 N -0.26 1.18 -1.44 0.00 2.02 -0.80 -0.78 118.70 118.62 3duk s GLU 93 Ca 0.02 -0.79 -0.06 0.00 0.02 0.00 0.00 54.97 54.16 3duk s GLU 93 Cb -0.13 -1.22 0.03 0.00 0.10 0.00 0.00 34.13 32.91 3duk s GLU 93 CO 0.03 0.31 0.50 -1.71 0.02 0.00 0.00 175.26 174.41 3duk n ASN 94 N 2.04 -5.12 -4.56 -0.19 5.15 0.33 -1.12 115.26 111.80 3duk n ASN 94 Ca -0.17 -0.28 -0.28 0.00 -0.60 0.00 0.00 54.58 53.25 3duk n ASN 94 Cb 0.54 -4.18 -0.05 0.00 -0.53 0.00 0.00 39.78 35.56 3duk n ASN 94 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3duk s TRP 95 N -3.05 1.89 -1.41 1.20 -0.11 -0.32 -3.36 118.94 113.79 3duk s TRP 95 Ca 0.30 0.46 -0.01 0.00 1.22 0.00 0.00 56.10 58.08 3duk s TRP 95 Cb -0.15 -4.11 0.01 0.00 -1.50 0.00 0.00 33.47 27.72 3duk s TRP 95 CO 0.38 -1.73 0.45 0.25 -4.62 0.00 0.00 176.95 171.68 3duk n THR 96 N 7.77 -3.07 -1.55 5.86 -2.24 -1.26 -1.46 114.28 118.33 3duk n THR 96 Ca 0.40 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.60 3duk n THR 96 Cb 0.47 -2.69 -0.03 0.00 -2.10 0.00 0.00 70.33 65.98 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 -2.98 -4.02 -4.60 3.42 3.02 -1.23 -5.03 115.26 103.84 3duk n ASN 97 Ca -0.30 0.18 -0.24 0.00 -0.03 0.00 0.00 54.58 54.20 3duk n ASN 97 Cb 0.68 -2.67 -0.08 0.00 -0.61 0.00 0.00 39.78 37.10 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 -2.42 2.62 -0.13 3.10 0.08 -0.54 -4.87 117.98 115.82 3duk s PHE 98 Ca 0.00 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.81 3duk s PHE 98 Cb 0.00 -1.19 0.02 0.00 -0.57 0.00 0.00 43.02 41.29 3duk s PHE 98 CO 0.00 0.61 -0.11 0.21 -0.10 0.00 0.00 175.22 175.82 3duk s LYS 99 N -3.44 1.98 0.15 0.44 2.20 -1.26 -0.51 119.74 119.31 3duk s LYS 99 Ca 0.30 -0.43 0.10 0.00 -0.36 0.00 0.00 55.97 55.57 3duk s LYS 99 Cb -0.07 -1.89 -0.04 0.00 -1.51 0.00 0.00 37.83 34.32 3duk s LYS 99 CO 0.18 -0.25 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.68 3duk s PHE 100 N 1.57 2.47 -0.20 4.03 0.08 0.04 -1.92 117.98 124.06 3duk s PHE 100 Ca 0.05 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.81 3duk s PHE 100 Cb -0.13 -1.27 0.02 0.00 -0.57 0.00 0.00 43.02 41.08 3duk s PHE 100 CO -0.10 0.44 -0.15 -1.12 -0.10 0.00 0.00 175.22 174.19 3duk s SER 101 N -2.44 3.61 -0.20 1.36 0.01 -0.68 -1.82 113.70 113.55 3duk s SER 101 Ca 0.20 -0.75 -0.07 0.00 1.31 0.00 0.00 55.95 56.64 3duk s SER 101 Cb -0.09 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 3duk s SER 101 CO 0.11 -0.04 0.05 -1.81 0.41 0.00 0.00 173.24 171.95 3duk s ASP 102 N 1.29 5.39 -0.18 2.44 1.01 -0.12 -1.26 116.67 125.25 3duk s ASP 102 Ca 0.03 -0.02 -0.05 0.00 0.71 0.00 0.00 52.55 53.22 3duk s ASP 102 Cb -0.15 -1.93 -0.03 0.00 1.01 0.00 0.00 42.92 41.83 3duk s ASP 102 CO -0.10 0.12 -0.01 -0.76 0.21 0.00 0.00 175.17 174.64 3duk s LEU 103 N 0.68 3.32 0.08 1.23 1.43 0.27 -1.24 118.68 124.45 3duk s LEU 103 Ca 0.03 -0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.08 3duk s LEU 103 Cb -0.13 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 3duk s LEU 103 CO 0.02 0.12 -0.26 -0.36 0.23 0.00 0.00 176.35 176.10 3duk s PHE 104 N 0.67 2.34 -0.12 0.29 0.08 0.38 -1.65 117.98 119.96 3duk s PHE 104 Ca -0.01 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.66 3duk s PHE 104 Cb -0.14 -1.34 -0.01 0.00 -0.57 0.00 0.00 43.02 40.95 3duk s PHE 104 CO 0.02 0.22 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.70 3duk s LEU 105 N -1.57 2.62 0.21 -0.37 1.43 -0.59 -2.11 118.68 118.30 3duk s LEU 105 Ca 0.13 -0.36 0.11 0.00 -1.03 0.00 0.00 54.13 52.97 3duk s LEU 105 Cb -0.10 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3duk s LEU 105 CO 0.04 0.17 -0.17 -0.76 0.23 0.00 0.00 176.35 175.86 3duk s LEU 106 N 0.34 2.70 -0.07 1.79 1.02 -0.24 -0.80 118.68 123.43 3duk s LEU 106 Ca -0.12 -0.78 0.00 0.00 0.02 0.00 0.00 54.13 53.25 3duk s LEU 106 Cb -0.16 -1.36 0.02 0.00 0.02 0.00 0.00 46.19 44.71 3duk s LEU 106 CO 0.06 0.09 -0.05 -0.22 0.02 0.00 0.00 176.35 176.25 3duk s LEU 107 N -2.96 1.18 -0.88 1.79 2.96 -0.23 -1.59 118.68 118.96 3duk s LEU 107 Ca 0.25 -0.18 -0.25 0.00 -0.22 0.00 0.00 54.13 53.73 3duk s LEU 107 Cb -0.08 -0.60 -0.01 0.00 0.50 0.00 0.00 46.19 46.01 3duk s LEU 107 CO 0.13 -0.09 1.73 -0.75 -1.32 0.00 0.00 176.35 176.06 3duk s LYS 108 N 1.28 2.92 -0.46 1.98 2.20 -0.07 -1.98 119.74 125.62 3duk s LYS 108 Ca -0.05 -0.39 -0.23 0.00 -0.36 0.00 0.00 55.97 54.95 3duk s LYS 108 Cb -0.14 -4.97 0.03 0.00 -1.51 0.00 0.00 37.83 31.24 3duk s LYS 108 CO -0.02 -2.83 0.76 -1.17 -0.36 0.00 0.00 175.35 171.73 3duk s LEU 109 N 8.06 4.33 -1.40 5.43 2.96 0.37 -4.16 118.68 134.27 3duk s LEU 109 Ca 0.60 -0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 54.19 3duk s LEU 109 Cb -0.06 -2.87 0.04 0.00 0.50 0.00 0.00 46.19 43.80 3duk s LEU 109 CO 0.01 -0.92 1.02 0.47 -1.32 0.00 0.00 176.35 175.61 3duk n ASP 110 N 6.67 -4.56 0.00 3.68 8.00 -1.26 -1.78 116.55 127.30 3duk n ASP 110 Ca 0.01 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.83 3duk n ASP 110 Cb 0.48 -4.46 0.00 0.00 -0.02 0.00 0.00 41.12 37.12 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 -1.73 2.03 3.24 0.44 0.00 -1.26 -5.01 105.19 102.90 3duk n GLY 111 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.25 3.14 0.42 1.61 0.00 -0.74 -5.05 119.74 118.88 3duk s LYS 112 Ca 0.00 -0.80 -0.24 0.00 0.00 0.00 0.00 55.97 54.93 3duk s LYS 112 Cb 0.00 -2.50 -0.08 0.00 0.00 0.00 0.00 37.83 35.25 3duk s LYS 112 CO 0.00 0.07 1.12 -1.58 0.00 0.00 0.00 175.35 174.97 3duk s TRP 113 N 0.64 3.07 -0.09 1.78 0.52 -1.26 -0.48 118.94 123.12 3duk s TRP 113 Ca -0.10 1.58 -0.24 0.00 0.02 0.00 0.00 56.10 57.36 3duk s TRP 113 Cb -0.16 -3.29 0.05 0.00 -1.15 0.00 0.00 33.47 28.92 3duk s TRP 113 CO 0.02 -1.14 0.56 -0.08 0.02 0.00 0.00 176.95 176.33 3duk s THR 114 N -1.55 0.02 -0.10 2.01 -1.32 -0.84 -4.88 115.64 108.98 3duk s THR 114 Ca 0.60 -0.12 -0.30 0.00 -1.21 0.00 0.00 61.69 60.66 3duk s THR 114 Cb -0.27 -0.85 -0.02 0.00 -1.51 0.00 0.00 72.50 69.86 3duk s THR 114 CO 0.33 -0.07 1.08 -0.63 -2.21 0.00 0.00 174.62 173.12 3duk s ILE 115 N -0.82 4.60 -0.19 5.08 1.01 -0.63 -1.06 121.20 129.18 3duk s ILE 115 Ca -0.09 1.89 0.13 0.00 0.00 0.00 0.00 60.65 62.58 3duk s ILE 115 Cb -0.02 -4.21 -0.21 0.00 0.01 0.00 0.00 42.46 38.02 3duk s ILE 115 CO 0.06 -0.01 0.00 1.33 0.00 0.00 0.00 174.94 176.32 3duk n VAL 116 N 4.63 1.28 -4.31 2.92 0.24 0.02 -1.17 118.33 121.94 3duk n VAL 116 Ca 0.10 -0.72 -0.19 0.00 -2.04 0.00 0.00 64.34 61.49 3duk n VAL 116 Cb 0.48 -0.70 -0.13 0.00 -1.47 0.00 0.00 33.84 32.02 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 -5.49 1.41 -0.00 -1.34 0.02 -0.79 -1.72 114.94 107.03 3duk s ASN 117 Ca -0.14 -0.40 -0.00 0.00 -1.02 0.00 0.00 52.86 51.30 3duk s ASN 117 Cb 0.06 -0.09 0.00 0.00 0.02 0.00 0.00 41.25 41.24 3duk s ASN 117 CO 0.70 0.02 0.00 -0.75 0.02 0.00 0.00 177.10 177.10 3duk s LYS 118 N -0.99 -0.00 0.04 -0.60 2.20 -0.67 -1.55 119.74 118.17 3duk s LYS 118 Ca 0.00 0.01 -0.00 0.00 -0.36 0.00 0.00 55.97 55.62 3duk s LYS 118 Cb -0.07 -0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.20 3duk s LYS 118 CO 0.01 -0.01 -0.03 0.14 -0.36 0.00 0.00 175.35 175.10 3duk s VAL 119 N 0.07 0.17 0.13 4.02 -7.23 -0.66 -1.52 120.40 115.38 3duk s VAL 119 Ca -0.01 -1.35 -0.07 0.00 -1.81 0.00 0.00 61.98 58.75 3duk s VAL 119 Cb -0.01 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 36.04 3duk s VAL 119 CO -0.00 -0.74 0.19 0.72 -0.31 0.00 0.00 175.10 174.96 3duk s PHE 120 N -2.66 0.45 -0.08 2.82 -0.71 -1.05 -0.56 117.98 116.18 3duk s PHE 120 Ca -0.05 -0.85 0.02 0.00 -1.04 0.00 0.00 56.93 55.02 3duk s PHE 120 Cb -0.01 -0.17 0.01 0.00 -1.21 0.00 0.00 43.02 41.64 3duk s PHE 120 CO -0.05 -0.62 -0.14 -1.58 -1.34 0.00 0.00 175.22 171.49 3duk s HIS 121 N -3.96 1.69 -0.41 3.49 2.46 -0.39 -4.39 115.29 113.77 3duk s HIS 121 Ca 0.15 -0.70 -0.20 0.00 0.47 0.00 0.00 55.06 54.78 3duk s HIS 121 Cb 0.05 -1.23 0.02 0.00 -0.13 0.00 0.00 32.58 31.28 3duk s HIS 121 CO -0.03 -0.36 0.63 -1.17 -2.47 0.00 0.00 174.74 171.34 3duk s LEU 122 N 0.82 4.44 0.16 8.88 2.96 -1.26 -1.69 118.68 132.99 3duk s LEU 122 Ca -0.11 -0.21 -0.31 0.00 -0.22 0.00 0.00 54.13 53.28 3duk s LEU 122 Cb -0.15 -2.73 -0.09 0.00 0.50 0.00 0.00 46.19 43.72 3duk s LEU 122 CO 0.02 -0.71 1.43 -1.00 -1.32 0.00 0.00 176.35 174.76 3duk s HIS 123 N 2.76 3.16 -2.00 5.38 3.76 -0.81 -4.96 115.29 122.58 3duk s HIS 123 Ca 0.23 0.93 0.06 0.00 -0.15 0.00 0.00 55.06 56.13 3duk s HIS 123 Cb -0.14 -3.75 0.38 0.00 1.11 0.00 0.00 32.58 30.18 3duk s HIS 123 CO 0.18 -2.59 0.85 0.00 -0.85 0.00 0.00 174.74 172.32