#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 3.59 0.00 1.61 0.15 -1.26 -5.23 113.70 112.56 3duk s SER 2 Ca 0.00 -0.67 0.20 0.00 0.70 0.00 0.00 55.95 56.19 3duk s SER 2 Cb 0.00 -0.37 0.10 0.00 -1.71 0.00 0.00 66.02 64.03 3duk s SER 2 CO 0.00 0.18 1.09 1.33 1.20 0.00 0.00 173.24 177.04 3duk n VAL 3 N 0.83 0.00 -1.63 4.45 0.24 -1.26 -4.25 118.33 116.70 3duk n VAL 3 Ca -0.17 -0.42 -0.49 0.00 -2.04 0.00 0.00 64.34 61.23 3duk n VAL 3 Cb 0.53 1.35 -0.05 0.00 -1.47 0.00 0.00 33.84 34.20 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 0.69 1.68 -2.54 7.34 4.81 -1.26 -4.31 118.16 124.56 3duk n LYS 4 Ca 0.11 0.61 -0.42 0.00 -0.87 0.00 0.00 58.31 57.73 3duk n LYS 4 Cb 0.48 -2.32 -0.03 0.00 0.02 0.00 0.00 35.03 33.18 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 0.84 4.41 0.17 3.15 1.01 -1.26 -4.90 120.40 123.82 3duk s VAL 5 Ca 0.82 1.73 0.10 0.00 0.00 0.00 0.00 61.98 64.63 3duk s VAL 5 Cb -0.81 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 31.42 3duk s VAL 5 CO 0.43 0.08 -0.17 -0.94 0.00 0.00 0.00 175.10 174.50 3duk s SER 6 N 1.16 3.83 0.48 3.32 1.04 -1.26 -5.01 113.70 117.27 3duk s SER 6 Ca 0.55 -0.70 0.16 0.00 0.48 0.00 0.00 55.95 56.44 3duk s SER 6 Cb -0.24 -0.49 1.16 0.00 0.10 0.00 0.00 66.02 66.55 3duk s SER 6 CO 0.26 0.13 2.06 0.58 0.98 0.00 0.00 173.24 177.24 3duk h VAL 7 N 3.10 1.03 -0.12 5.02 2.07 -1.99 -2.14 116.25 123.22 3duk h VAL 7 Ca -0.47 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3duk h VAL 7 Cb 1.20 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3duk h VAL 7 CO 0.50 0.10 0.05 -0.78 0.02 0.00 0.00 177.57 177.47 3duk h ASP 8 N 0.00 0.17 -0.32 0.57 3.58 -1.99 -0.68 116.42 117.75 3duk h ASP 8 Ca -0.00 -0.15 -0.07 0.00 0.42 0.00 0.00 57.03 57.23 3duk h ASP 8 Cb 0.19 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 3duk h ASP 8 CO 0.01 0.27 -0.08 0.44 -2.88 0.00 0.00 179.24 177.01 3duk h ASP 9 N 0.06 0.62 -0.64 2.28 3.32 -1.94 -1.43 116.42 118.69 3duk h ASP 9 Ca 0.04 -0.36 0.13 0.00 0.02 0.00 0.00 57.03 56.86 3duk h ASP 9 Cb 0.15 -0.17 -0.10 0.00 0.22 0.00 0.00 39.33 39.43 3duk h ASP 9 CO -0.00 0.84 0.09 0.40 -1.72 0.00 0.00 179.24 178.84 3duk h ILE 10 N 0.39 0.55 -0.52 0.35 2.04 -1.29 -0.76 117.51 118.27 3duk h ILE 10 Ca 0.08 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.76 3duk h ILE 10 Cb 0.57 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3duk h ILE 10 CO 0.03 0.04 -0.11 0.44 0.00 0.00 0.00 178.15 178.54 3duk h ASP 11 N 0.20 0.97 -0.24 1.72 3.32 -0.96 -0.77 116.42 120.66 3duk h ASP 11 Ca 0.34 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 57.09 3duk h ASP 11 Cb 0.55 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3duk h ASP 11 CO -0.48 1.09 0.13 1.23 -1.72 0.00 0.00 179.24 179.49 3duk h GLY 12 N 0.95 0.33 0.90 2.75 0.00 -0.12 0.70 103.07 108.58 3duk h GLY 12 Ca 0.13 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 3duk h GLY 12 CO 0.05 0.09 -0.02 -2.22 0.00 0.00 0.00 176.54 174.44 3duk h ILE 13 N 0.28 1.26 -0.98 2.60 2.04 -1.12 -2.31 117.51 119.29 3duk h ILE 13 Ca 0.09 -0.99 0.13 0.00 1.00 0.00 0.00 64.86 65.09 3duk h ILE 13 Cb 0.00 1.28 -0.08 0.00 -0.74 0.00 0.00 36.82 37.28 3duk h ILE 13 CO -0.05 0.32 0.62 0.74 0.00 0.00 0.00 178.15 179.78 3duk h THR 14 N 0.37 0.88 -0.36 -0.27 2.02 -0.86 -0.20 112.91 114.48 3duk h THR 14 Ca 0.09 -0.31 -0.10 0.00 0.77 0.00 0.00 66.41 66.86 3duk h THR 14 Cb 0.47 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3duk h THR 14 CO 0.02 0.16 -0.16 -0.08 0.37 0.00 0.00 175.52 175.84 3duk h GLU 15 N 0.90 0.74 -0.07 6.66 4.81 -0.40 0.17 114.58 127.39 3duk h GLU 15 Ca 0.49 -0.32 -0.18 0.00 -0.13 0.00 0.00 59.36 59.23 3duk h GLU 15 Cb 0.59 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3duk h GLU 15 CO -0.26 0.93 -0.72 -0.24 -0.73 0.00 0.00 179.01 177.98 3duk h VAL 16 N 0.53 1.39 0.00 0.32 3.04 -1.02 -1.97 116.25 118.55 3duk h VAL 16 Ca 0.08 -2.15 -0.04 0.00 -1.01 0.00 0.00 66.70 63.58 3duk h VAL 16 Cb 0.69 2.12 -0.01 0.00 -2.01 0.00 0.00 31.29 32.09 3duk h VAL 16 CO 0.05 0.64 -0.20 -0.07 -1.01 0.00 0.00 177.57 176.99 3duk h LEU 17 N 0.25 0.00 -0.27 3.16 3.38 -0.82 -2.29 115.31 118.72 3duk h LEU 17 Ca -0.03 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 3duk h LEU 17 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3duk h LEU 17 CO 0.12 0.20 -0.61 0.78 0.09 0.00 0.00 178.44 179.02 3duk h ASN 18 N 0.00 0.96 -0.29 -0.43 2.35 -0.19 -3.02 115.58 114.96 3duk h ASN 18 Ca -0.00 -0.54 0.04 0.00 -0.55 0.00 0.00 56.30 55.24 3duk h ASN 18 Cb 0.58 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3duk h ASN 18 CO 0.03 1.34 0.20 0.58 -1.65 0.00 0.00 177.43 177.93 3duk h VAL 19 N 0.63 0.98 -0.03 2.81 2.07 -0.81 -0.42 116.25 121.48 3duk h VAL 19 Ca -0.00 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3duk h VAL 19 Cb 1.22 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3duk h VAL 19 CO 0.13 0.04 0.01 0.00 0.02 0.00 0.00 177.57 177.77 3duk n TYR 20 N -4.49 0.12 0.00 1.57 9.36 -1.04 -2.87 117.16 119.81 3duk n TYR 20 Ca 0.03 -0.14 0.00 0.00 3.32 0.00 0.00 57.90 61.11 3duk n TYR 20 Cb 0.20 -0.15 0.00 0.00 -0.63 0.00 0.00 39.34 38.76 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 0.10 0.00 -0.19 2.98 3.02 -0.17 -1.42 115.26 119.59 3duk n ASN 22 Ca 0.02 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.53 3duk n ASN 22 Cb 0.35 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.66 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 1.16 -0.77 5.41 0.00 -1.74 0.34 119.26 123.66 3duk h ALA 23 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3duk h ALA 23 Cb 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 3duk h ALA 23 CO 0.00 0.59 0.51 0.00 0.00 0.00 0.00 179.25 180.34 3duk h ALA 24 N 1.28 1.59 0.00 0.00 0.00 -1.51 0.11 119.26 120.73 3duk h ALA 24 Ca 0.21 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 3duk h ALA 24 Cb 0.26 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3duk h ALA 24 CO -0.01 0.31 -1.38 1.49 0.00 0.00 0.00 179.25 179.66 3duk h GLU 25 N 0.89 0.00 0.00 0.00 4.81 -1.59 -1.56 114.58 117.13 3duk h GLU 25 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3duk h GLU 25 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3duk h GLU 25 CO -0.10 0.40 0.00 0.43 -0.73 0.00 0.00 179.01 179.01 3duk n SER 26 N -2.99 0.00 -4.76 1.04 7.64 0.04 -3.54 113.62 111.06 3duk n SER 26 Ca -0.10 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.55 3duk n SER 26 Cb 0.89 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 64.18 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 -0.96 1.77 0.75 0.23 0.00 0.35 -4.88 107.32 104.58 3duk s GLY 27 Ca 0.00 -1.61 -0.04 0.00 0.00 0.00 0.00 44.72 43.07 3duk s GLY 27 CO 0.00 -1.11 1.04 -0.51 0.00 0.00 0.00 173.10 172.52 3duk s THR 28 N -3.06 2.17 0.30 0.90 -4.23 -1.26 -4.60 115.64 105.86 3duk s THR 28 Ca 0.64 -0.44 0.03 0.00 -1.18 0.00 0.00 61.69 60.74 3duk s THR 28 Cb -0.07 -2.72 0.11 0.00 1.34 0.00 0.00 72.50 71.16 3duk s THR 28 CO 0.43 0.00 1.79 1.23 -0.54 0.00 0.00 174.62 177.53 3duk h GLY 29 N -0.71 0.56 1.30 3.99 0.00 -1.82 -2.63 103.07 103.76 3duk h GLY 29 Ca -0.39 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.49 3duk h GLY 29 CO 0.43 0.36 0.13 1.05 0.00 0.00 0.00 176.54 178.51 3duk h GLU 30 N 0.48 0.88 -1.60 4.80 -0.00 -1.94 -1.82 114.58 115.37 3duk h GLU 30 Ca 0.09 -0.19 0.00 0.00 -0.00 0.00 0.00 59.36 59.26 3duk h GLU 30 Cb 0.50 -0.13 0.00 0.00 -0.00 0.00 0.00 28.75 29.12 3duk h GLU 30 CO 0.03 0.79 0.00 0.39 -0.00 0.00 0.00 179.01 180.22 3duk n GLU 31 N -4.26 0.61 0.00 1.06 1.02 -0.99 -3.73 120.64 114.34 3duk n GLU 31 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3duk n GLU 31 Cb 0.24 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 1.04 0.00 0.20 1.62 3.41 -0.69 -4.47 113.62 114.74 3duk n SER 33 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 3duk n SER 33 Cb 0.30 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 64.94 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 -0.02 7.33 0.00 -1.86 -1.36 119.26 124.35 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 -0.18 0.00 0.00 0.00 0.00 179.25 179.07 3duk n ALA 35 N -1.88 2.92 -2.36 0.00 0.00 -1.26 -4.93 120.51 113.00 3duk n ALA 35 Ca -0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 53.44 52.60 3duk n ALA 35 Cb 0.15 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.25 2.29 0.89 0.00 0.40 -0.51 -1.47 117.98 117.33 3duk s PHE 36 Ca 0.27 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 56.09 3duk s PHE 36 Cb 0.20 -1.35 0.12 0.00 0.51 0.00 0.00 43.02 42.49 3duk s PHE 36 CO 0.43 0.15 1.07 1.58 0.70 0.00 0.00 175.22 179.16 3duk n HIS 37 N 1.65 0.67 -0.37 0.36 -0.00 0.11 -4.87 115.22 112.77 3duk n HIS 37 Ca -0.17 0.38 -0.01 0.00 -0.00 0.00 0.00 57.72 57.92 3duk n HIS 37 Cb 0.52 -2.00 0.13 0.00 -0.00 0.00 0.00 29.99 28.64 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 -1.62 1.29 -0.83 1.57 -0.00 -1.93 -2.77 116.57 112.28 3duk h LYS 38 Ca -0.44 -0.08 -0.50 0.00 -0.00 0.00 0.00 60.65 59.63 3duk h LYS 38 Cb 1.28 -0.29 -0.27 0.00 -0.00 0.00 0.00 32.23 32.95 3duk h LYS 38 CO 0.41 0.85 0.41 -0.25 -0.00 0.00 0.00 179.45 180.87 3duk n ASP 39 N -4.40 4.86 -4.73 7.07 8.00 -1.26 -5.00 116.55 121.10 3duk n ASP 39 Ca 0.12 -3.73 -0.31 0.00 0.71 0.00 0.00 54.79 51.59 3duk n ASP 39 Cb 0.04 -0.79 0.12 0.00 -0.02 0.00 0.00 41.12 40.47 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 -3.49 1.87 0.32 2.24 0.00 -1.05 -4.99 121.76 116.66 3duk s ALA 40 Ca 0.56 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.81 3duk s ALA 40 Cb 0.47 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 3duk s ALA 40 CO 0.04 -2.15 0.10 0.95 0.00 0.00 0.00 175.76 174.69 3duk s THR 41 N -2.84 0.77 -0.24 0.00 -4.23 -0.71 -3.57 115.64 104.82 3duk s THR 41 Ca 0.63 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.99 3duk s THR 41 Cb -0.19 -2.62 0.07 0.00 1.34 0.00 0.00 72.50 71.11 3duk s THR 41 CO 0.57 0.00 0.61 -0.51 -0.54 0.00 0.00 174.62 174.75 3duk s ILE 42 N -3.45 -0.01 0.04 2.99 2.07 0.22 -2.30 121.20 120.77 3duk s ILE 42 Ca 0.34 0.02 0.07 0.00 -1.41 0.00 0.00 60.65 59.67 3duk s ILE 42 Cb 0.07 -0.88 -0.02 0.00 0.13 0.00 0.00 42.46 41.75 3duk s ILE 42 CO 0.15 0.01 -0.19 -0.36 -1.91 0.00 0.00 174.94 172.64 3duk s PHE 43 N 1.42 1.70 0.00 3.50 0.40 -0.74 -1.28 117.98 122.97 3duk s PHE 43 Ca -0.09 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 3duk s PHE 43 Cb -0.06 -1.02 0.00 0.00 0.51 0.00 0.00 43.02 42.45 3duk s PHE 43 CO -0.16 0.07 0.00 0.41 0.70 0.00 0.00 175.22 176.24 3duk n GLY 44 N 1.94 1.54 3.85 4.36 0.00 -0.46 -2.65 105.19 113.77 3duk n GLY 44 Ca -0.17 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.50 3.70 -0.43 1.61 2.02 -1.26 -2.17 117.35 119.31 3duk s TYR 45 Ca 0.00 0.90 0.04 0.00 -0.37 0.00 0.00 57.07 57.63 3duk s TYR 45 Cb 0.00 -2.22 0.11 0.00 -0.40 0.00 0.00 41.96 39.46 3duk s TYR 45 CO 0.00 0.65 0.15 0.08 -1.57 0.00 0.00 175.55 174.87 3duk s VAL 46 N -1.10 2.49 0.00 0.71 1.01 -0.41 -4.33 120.40 118.76 3duk s VAL 46 Ca 0.23 -2.77 0.00 0.00 0.00 0.00 0.00 61.98 59.44 3duk s VAL 46 Cb -0.16 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3duk s VAL 46 CO 0.12 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.14 3duk n GLY 47 N 3.76 0.54 0.08 4.51 0.00 -1.26 -3.45 105.19 109.36 3duk n GLY 47 Ca 0.04 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.47 3duk n GLY 47 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3duk h ASP 48 N 2.31 0.00 -3.45 1.61 3.32 -2.02 -3.46 116.42 114.72 3duk h ASP 48 Ca 0.00 -0.18 -0.54 0.00 0.02 0.00 0.00 57.03 56.33 3duk h ASP 48 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3duk h ASP 48 CO 0.00 0.09 0.10 -0.75 -1.72 0.00 0.00 179.24 176.96 3duk s LYS 49 N -3.21 4.39 -1.25 3.56 2.20 -1.22 -4.99 119.74 119.21 3duk s LYS 49 Ca 0.05 0.97 -0.13 0.00 -0.36 0.00 0.00 55.97 56.50 3duk s LYS 49 Cb 0.12 -3.16 0.16 0.00 -1.51 0.00 0.00 37.83 33.44 3duk s LYS 49 CO 0.74 0.55 1.63 1.47 -0.36 0.00 0.00 175.35 179.38 3duk n LEU 50 N 1.41 5.70 0.31 5.43 -0.00 -1.26 -1.29 117.00 127.29 3duk n LEU 50 Ca -0.06 -4.46 0.18 0.00 -0.00 0.00 0.00 56.01 51.67 3duk n LEU 50 Cb 0.50 -1.59 1.01 0.00 -0.00 0.00 0.00 43.42 43.33 3duk n LEU 50 CO 0.44 0.89 1.15 0.00 -0.00 0.00 0.00 177.39 179.87 3duk h ALA 51 N 6.69 1.38 -3.41 1.47 0.00 -1.82 -3.36 119.26 120.22 3duk h ALA 51 Ca 0.36 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.64 3duk h ALA 51 Cb 0.79 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.21 3duk h ALA 51 CO 1.41 -0.02 -0.82 -0.06 0.00 0.00 0.00 179.25 179.76 3duk s PHE 52 N -4.49 2.59 -0.24 0.00 0.40 -0.92 -4.99 117.98 110.32 3duk s PHE 52 Ca -0.05 -1.69 0.19 0.00 -0.60 0.00 0.00 56.93 54.78 3duk s PHE 52 Cb 0.14 -1.73 0.49 0.00 0.51 0.00 0.00 43.02 42.44 3duk s PHE 52 CO 0.50 -0.77 1.14 0.27 0.70 0.00 0.00 175.22 177.06 3duk n ASN 53 N 4.64 2.39 0.00 1.36 6.94 -1.21 -1.36 115.26 128.02 3duk n ASN 53 Ca -0.16 -2.53 0.00 0.00 -0.02 0.00 0.00 54.58 51.87 3duk n ASN 53 Cb 0.47 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 3duk n ASN 53 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3duk n GLY 54 N -0.55 1.41 3.66 4.83 0.00 -0.40 -5.00 105.19 109.14 3duk n GLY 54 Ca 0.17 -0.34 -0.49 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 1.88 0.17 1.61 -0.02 -1.26 -0.61 135.00 136.76 3duk n PRO 55 Ca 0.00 0.68 0.13 0.00 -2.02 0.00 0.00 63.50 62.30 3duk n PRO 55 Cb 0.00 -2.44 0.46 0.00 -0.02 0.00 0.00 33.50 31.49 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 4.32 0.00 -0.99 4.25 6.09 -1.86 -2.98 117.51 126.33 3duk h ILE 56 Ca -0.47 -0.47 0.14 0.00 -1.37 0.00 0.00 64.86 62.69 3duk h ILE 56 Cb 1.28 1.38 -0.09 0.00 0.47 0.00 0.00 36.82 39.86 3duk h ILE 56 CO 0.90 0.00 0.62 0.50 -3.07 0.00 0.00 178.15 177.10 3duk h LYS 57 N 0.00 0.86 0.00 2.19 3.64 -1.88 -1.29 116.57 120.10 3duk h LYS 57 Ca 0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3duk h LYS 57 Cb 0.60 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3duk h LYS 57 CO 0.00 0.57 -0.19 -0.44 -2.27 0.00 0.00 179.45 177.12 3duk h ASP 58 N 0.89 0.00 -0.14 4.20 3.32 -1.91 -1.85 116.42 120.93 3duk h ASP 58 Ca 0.52 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.54 3duk h ASP 58 Cb 0.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 3duk h ASP 58 CO -0.29 0.19 0.00 0.25 -1.72 0.00 0.00 179.24 177.67 3duk h LEU 59 N 0.00 0.25 -0.85 1.55 5.85 -1.41 -2.15 115.31 118.55 3duk h LEU 59 Ca -0.00 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.31 3duk h LEU 59 Cb 0.34 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3duk h LEU 59 CO 0.02 0.49 -0.22 1.88 -0.34 0.00 0.00 178.44 180.27 3duk h TYR 60 N -0.00 0.68 -0.33 1.25 0.05 -1.37 -2.15 116.97 115.10 3duk h TYR 60 Ca 0.04 -0.14 -0.15 0.00 0.05 0.00 0.00 58.73 58.53 3duk h TYR 60 Cb 0.37 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 3duk h TYR 60 CO 0.03 0.78 -0.40 -0.44 -1.05 0.00 0.00 178.16 177.09 3duk h ASP 61 N 0.54 0.85 0.41 3.88 3.32 -1.35 -2.51 116.42 121.56 3duk h ASP 61 Ca 0.08 -0.39 -0.12 0.00 0.02 0.00 0.00 57.03 56.62 3duk h ASP 61 Cb 0.68 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3duk h ASP 61 CO 0.05 1.14 -0.53 -0.25 -1.72 0.00 0.00 179.24 177.93 3duk h TRP 62 N 0.65 0.17 0.00 4.55 7.01 -1.26 -2.36 115.95 124.71 3duk h TRP 62 Ca 0.05 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3duk h TRP 62 Cb 0.96 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.99 3duk h TRP 62 CO 0.05 0.64 0.00 1.25 -2.79 0.00 0.00 178.44 177.59 3duk h HIS 63 N 0.10 0.00 0.05 2.65 2.76 -1.27 -1.33 115.15 118.12 3duk h HIS 63 Ca 0.00 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.99 3duk h HIS 63 Cb 0.97 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 3duk h HIS 63 CO 0.01 0.00 -0.91 -0.91 -1.30 0.00 0.00 177.93 174.82 3duk h ASN 64 N 0.00 0.17 0.30 3.26 2.35 -1.17 -2.64 115.58 117.84 3duk h ASN 64 Ca 0.00 -0.80 -0.01 0.00 -0.55 0.00 0.00 56.30 54.93 3duk h ASN 64 Cb 0.75 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.07 3duk h ASN 64 CO 0.00 1.38 -0.14 0.77 -1.65 0.00 0.00 177.43 177.79 3duk h SER 65 N -0.72 -0.34 0.14 5.81 4.64 -1.46 -3.16 113.55 118.46 3duk h SER 65 Ca -0.22 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 60.92 3duk h SER 65 Cb 1.40 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.57 3duk h SER 65 CO -0.03 -0.05 -0.18 -1.13 -0.87 0.00 0.00 176.83 174.58 3duk h ASN 66 N -0.65 0.08 -3.98 4.97 -1.24 -1.43 -3.49 115.58 109.84 3duk h ASN 66 Ca -0.04 -0.02 0.01 0.00 0.71 0.00 0.00 56.30 56.96 3duk h ASN 66 Cb 0.46 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.48 3duk h ASN 66 CO 0.07 0.27 -0.03 0.61 -1.29 0.00 0.00 177.43 177.06 3duk n GLY 67 N -0.91 -1.88 3.74 1.57 0.00 -1.00 -4.93 105.19 101.78 3duk n GLY 67 Ca -0.02 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.92 2.97 -0.96 1.61 0.02 -1.26 -4.88 135.00 130.58 3duk s PRO 68 Ca 0.00 2.17 -0.08 0.00 0.02 0.00 0.00 61.00 63.11 3duk s PRO 68 Cb 0.00 -2.13 0.24 0.00 0.02 0.00 0.00 34.50 32.63 3duk s PRO 68 CO 0.00 -1.30 0.90 0.00 -0.33 0.00 0.00 177.00 176.27 3duk s ALA 69 N -1.34 4.39 0.48 -1.55 0.00 -0.59 -4.91 121.76 118.24 3duk s ALA 69 Ca 0.75 -3.69 0.19 0.00 0.00 0.00 0.00 51.96 49.21 3duk s ALA 69 Cb -0.39 -3.30 1.21 0.00 0.00 0.00 0.00 23.12 20.64 3duk s ALA 69 CO 0.45 -2.20 2.00 0.87 0.00 0.00 0.00 175.76 176.88 3duk h LYS 70 N 6.76 0.19 -0.63 0.00 6.56 -1.85 -1.80 116.57 125.79 3duk h LYS 70 Ca 0.14 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.72 3duk h LYS 70 Cb 0.90 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.52 3duk h LYS 70 CO 0.89 0.12 0.00 0.09 -2.06 0.00 0.00 179.45 178.50 3duk n ASN 71 N -4.44 3.96 -4.74 0.86 5.03 -1.26 -4.97 115.26 109.70 3duk n ASN 71 Ca 0.09 -2.32 -0.41 0.00 0.87 0.00 0.00 54.58 52.81 3duk n ASN 71 Cb 0.46 -0.51 -0.05 0.00 -1.02 0.00 0.00 39.78 38.66 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 -1.71 4.26 -0.26 2.41 0.11 -0.68 -4.67 120.40 119.86 3duk s VAL 72 Ca 0.43 1.99 -0.00 0.00 -2.93 0.00 0.00 61.98 61.46 3duk s VAL 72 Cb 0.27 -4.27 0.04 0.00 -1.53 0.00 0.00 36.38 30.89 3duk s VAL 72 CO 0.22 0.36 -0.07 -1.10 -3.33 0.00 0.00 175.10 171.18 3duk s GLN 73 N -0.41 2.56 0.01 1.54 -1.52 -0.52 -4.97 119.66 116.35 3duk s GLN 73 Ca 0.46 -1.15 0.08 0.00 -1.95 0.00 0.00 55.36 52.80 3duk s GLN 73 Cb -0.25 -2.98 -0.02 0.00 -0.22 0.00 0.00 33.01 29.54 3duk s GLN 73 CO 0.32 -0.50 -0.25 -1.54 -0.25 0.00 0.00 175.29 173.07 3duk s SER 74 N 1.24 3.00 -0.01 5.90 1.04 -1.26 -1.28 113.70 122.33 3duk s SER 74 Ca -0.04 -0.51 0.01 0.00 0.48 0.00 0.00 55.95 55.89 3duk s SER 74 Cb -0.18 -0.31 0.01 0.00 0.10 0.00 0.00 66.02 65.64 3duk s SER 74 CO -0.04 0.28 -0.01 -0.13 0.98 0.00 0.00 173.24 174.32 3duk s ARG 75 N -0.86 0.19 -0.05 4.02 1.81 0.02 -4.96 118.95 119.11 3duk s ARG 75 Ca 0.10 -0.02 -0.27 0.00 -1.72 0.00 0.00 55.73 53.82 3duk s ARG 75 Cb -0.10 -0.25 -0.03 0.00 -0.45 0.00 0.00 34.95 34.12 3duk s ARG 75 CO 0.00 -0.01 0.86 0.42 -0.68 0.00 0.00 175.30 175.89 3duk s ILE 76 N 0.28 4.93 -0.06 1.52 1.01 -1.26 -0.38 121.20 127.23 3duk s ILE 76 Ca -0.03 1.79 0.02 0.00 0.00 0.00 0.00 60.65 62.43 3duk s ILE 76 Cb -0.05 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 3duk s ILE 76 CO -0.01 0.17 0.06 0.35 0.00 0.00 0.00 174.94 175.51 3duk n THR 77 N 4.00 0.00 -3.68 2.92 -2.24 -0.75 -4.98 114.28 109.55 3duk n THR 77 Ca 0.03 -0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 3duk n THR 77 Cb 0.51 0.89 -0.09 0.00 -2.10 0.00 0.00 70.33 69.54 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 -1.37 -0.65 -0.27 3.42 3.04 -1.22 -4.94 114.94 112.95 3duk s ASN 78 Ca 0.00 1.15 -0.04 0.00 0.04 0.00 0.00 52.86 54.01 3duk s ASN 78 Cb 0.01 1.09 0.10 0.00 -1.54 0.00 0.00 41.25 40.91 3duk s ASN 78 CO 0.07 -0.20 0.14 -0.63 -3.04 0.00 0.00 177.10 173.43 3duk s ILE 79 N 0.94 -0.10 -0.39 -5.21 1.01 -1.26 -1.09 121.20 115.09 3duk s ILE 79 Ca -0.05 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 3duk s ILE 79 Cb -0.05 -0.92 0.04 0.00 0.01 0.00 0.00 42.46 41.53 3duk s ILE 79 CO -0.08 -0.64 0.24 -0.62 0.00 0.00 0.00 174.94 173.83 3duk s ASP 80 N 2.13 5.79 -0.11 3.58 2.15 0.21 -4.99 116.67 125.44 3duk s ASP 80 Ca 0.08 -1.08 -0.01 0.00 0.43 0.00 0.00 52.55 51.98 3duk s ASP 80 Cb -0.16 -2.04 -0.02 0.00 -0.30 0.00 0.00 42.92 40.39 3duk s ASP 80 CO -0.33 -0.43 -0.08 -0.63 -0.17 0.00 0.00 175.17 173.53 3duk s ILE 81 N 1.56 3.55 -0.43 4.11 1.01 -1.26 -0.84 121.20 128.89 3duk s ILE 81 Ca 0.02 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.22 3duk s ILE 81 Cb -0.20 -2.49 0.18 0.00 0.01 0.00 0.00 42.46 39.96 3duk s ILE 81 CO 0.06 0.54 0.38 0.55 0.00 0.00 0.00 174.94 176.48 3duk n VAL 82 N 3.00 -0.90 0.00 2.92 3.14 -0.65 -4.79 118.33 121.05 3duk n VAL 82 Ca -0.18 -3.62 0.00 0.00 -2.96 0.00 0.00 64.34 57.58 3duk n VAL 82 Cb 0.53 -1.73 0.00 0.00 -1.06 0.00 0.00 33.84 31.57 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 2.59 2.25 0.00 7.55 0.00 -1.26 -3.21 105.19 113.12 3duk n GLY 83 Ca 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.07 -4.23 2.61 -2.24 -1.26 -4.95 114.28 104.28 3duk n THR 84 Ca 0.00 -0.51 -0.13 0.00 -2.27 0.00 0.00 64.05 61.14 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 -0.07 0.19 0.03 2.28 -7.23 -1.20 -1.64 120.40 112.77 3duk s VAL 85 Ca 0.00 -1.99 -0.28 0.00 -1.81 0.00 0.00 61.98 57.90 3duk s VAL 85 Cb 0.00 -2.47 0.09 0.00 0.56 0.00 0.00 36.38 34.56 3duk s VAL 85 CO 0.00 -0.07 0.89 0.00 -0.31 0.00 0.00 175.10 175.61 3duk s ALA 86 N -4.01 -1.79 0.14 1.32 0.00 -0.90 -1.63 121.76 114.89 3duk s ALA 86 Ca 0.36 0.85 0.10 0.00 0.00 0.00 0.00 51.96 53.28 3duk s ALA 86 Cb 0.07 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 3duk s ALA 86 CO 0.11 -0.75 -0.23 -1.58 0.00 0.00 0.00 175.76 173.31 3duk s HIS 87 N -3.17 2.38 -0.15 0.00 5.65 -0.02 -0.68 115.29 119.30 3duk s HIS 87 Ca 0.06 -0.34 -0.15 0.00 0.25 0.00 0.00 55.06 54.88 3duk s HIS 87 Cb -0.01 -1.25 0.04 0.00 -1.18 0.00 0.00 32.58 30.18 3duk s HIS 87 CO -0.07 0.40 0.42 0.00 -0.65 0.00 0.00 174.74 174.83 3duk s ALA 88 N -1.25 -1.03 0.07 1.58 0.00 -0.89 -0.61 121.76 119.62 3duk s ALA 88 Ca 0.17 1.14 0.07 0.00 0.00 0.00 0.00 51.96 53.34 3duk s ALA 88 Cb -0.10 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 3duk s ALA 88 CO 0.08 -0.20 -0.15 0.50 0.00 0.00 0.00 175.76 175.99 3duk s ARG 89 N 0.12 2.08 -0.04 0.00 3.52 -0.25 -0.26 118.95 124.12 3duk s ARG 89 Ca -0.01 -1.00 -0.02 0.00 -0.13 0.00 0.00 55.73 54.57 3duk s ARG 89 Cb -0.03 -2.24 0.03 0.00 -1.56 0.00 0.00 34.95 31.15 3duk s ARG 89 CO 0.01 0.53 0.10 0.08 -0.81 0.00 0.00 175.30 175.21 3duk s VAL 90 N -1.04 -0.03 -0.17 7.11 1.01 -0.52 -1.80 120.40 124.95 3duk s VAL 90 Ca 0.17 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 3duk s VAL 90 Cb -0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 3duk s VAL 90 CO 0.08 0.05 -0.00 -1.61 0.00 0.00 0.00 175.10 173.62 3duk s GLU 91 N 0.74 3.75 0.03 2.72 0.41 0.48 -0.49 118.70 126.35 3duk s GLU 91 Ca -0.06 -0.47 0.08 0.00 -0.41 0.00 0.00 54.97 54.11 3duk s GLU 91 Cb -0.08 -3.03 -0.03 0.00 -1.78 0.00 0.00 34.13 29.21 3duk s GLU 91 CO -0.03 0.21 -0.21 0.00 -0.49 0.00 0.00 175.26 174.74 3duk s ALA 92 N 0.48 2.47 0.05 5.21 0.00 -0.76 -0.80 121.76 128.41 3duk s ALA 92 Ca -0.01 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.78 3duk s ALA 92 Cb -0.14 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 3duk s ALA 92 CO 0.02 0.56 -0.10 -1.21 0.00 0.00 0.00 175.76 175.03 3duk s GLU 93 N -1.30 0.63 -1.51 0.00 2.02 -0.40 -2.16 118.70 115.98 3duk s GLU 93 Ca 0.13 -0.77 -0.13 0.00 0.02 0.00 0.00 54.97 54.22 3duk s GLU 93 Cb -0.10 -0.49 0.09 0.00 0.10 0.00 0.00 34.13 33.73 3duk s GLU 93 CO 0.04 0.10 0.82 -1.71 0.02 0.00 0.00 175.26 174.53 3duk n ASN 94 N 1.55 -4.47 -4.57 -0.19 2.85 -0.79 -1.44 115.26 108.22 3duk n ASN 94 Ca -0.21 -0.69 -0.39 0.00 -0.11 0.00 0.00 54.58 53.17 3duk n ASN 94 Cb 0.55 -3.60 -0.02 0.00 1.24 0.00 0.00 39.78 37.94 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 -3.20 2.50 -1.45 1.20 -0.11 -0.65 -3.31 118.94 113.92 3duk s TRP 95 Ca 0.60 -0.88 -0.04 0.00 1.22 0.00 0.00 56.10 57.00 3duk s TRP 95 Cb -0.31 -4.58 0.03 0.00 -1.50 0.00 0.00 33.47 27.11 3duk s TRP 95 CO 0.74 -1.79 0.58 0.25 -4.62 0.00 0.00 176.95 172.11 3duk n THR 96 N 6.89 -2.85 -0.97 5.86 -2.24 -1.26 -1.98 114.28 117.73 3duk n THR 96 Ca 0.42 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3duk n THR 96 Cb 0.48 -2.69 0.00 0.00 -2.10 0.00 0.00 70.33 66.02 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 -2.93 -0.34 -4.91 3.42 3.02 -1.24 -5.02 115.26 107.25 3duk n ASN 97 Ca -0.21 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.06 3duk n ASN 97 Cb 0.64 -0.24 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 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 -3.58 3.49 -0.24 3.10 0.08 -0.84 -4.77 117.98 115.22 3duk s PHE 98 Ca 0.00 0.61 0.01 0.00 0.12 0.00 0.00 56.93 57.68 3duk s PHE 98 Cb 0.00 -2.09 0.06 0.00 -0.57 0.00 0.00 43.02 40.42 3duk s PHE 98 CO 0.00 0.10 -0.07 0.21 -0.10 0.00 0.00 175.22 175.36 3duk s LYS 99 N -3.85 1.80 0.12 0.44 2.20 -1.26 -1.63 119.74 117.56 3duk s LYS 99 Ca 0.44 -1.08 0.05 0.00 -0.36 0.00 0.00 55.97 55.02 3duk s LYS 99 Cb -0.10 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.52 3duk s LYS 99 CO 0.33 -0.58 0.03 -0.06 -0.36 0.00 0.00 175.35 174.70 3duk s PHE 100 N 1.32 3.00 -0.17 4.03 0.08 -0.92 -1.32 117.98 124.00 3duk s PHE 100 Ca -0.06 -0.04 0.01 0.00 0.12 0.00 0.00 56.93 56.95 3duk s PHE 100 Cb -0.19 -1.50 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 3duk s PHE 100 CO -0.06 0.50 -0.19 -1.12 -0.10 0.00 0.00 175.22 174.25 3duk s SER 101 N -2.61 3.26 -0.16 1.36 0.01 -1.00 -1.82 113.70 112.74 3duk s SER 101 Ca 0.27 -0.60 -0.04 0.00 1.31 0.00 0.00 55.95 56.89 3duk s SER 101 Cb -0.11 -1.49 -0.03 0.00 0.21 0.00 0.00 66.02 64.60 3duk s SER 101 CO 0.20 0.04 -0.02 -1.81 0.41 0.00 0.00 173.24 172.05 3duk s ASP 102 N 1.09 4.97 -0.08 2.44 1.01 0.35 -1.93 116.67 124.52 3duk s ASP 102 Ca -0.00 -0.08 0.02 0.00 0.71 0.00 0.00 52.55 53.20 3duk s ASP 102 Cb -0.14 -1.80 -0.02 0.00 1.01 0.00 0.00 42.92 41.97 3duk s ASP 102 CO -0.07 0.18 -0.13 -0.76 0.21 0.00 0.00 175.17 174.60 3duk s LEU 103 N 0.29 2.77 0.05 1.23 1.43 -0.06 -1.44 118.68 122.95 3duk s LEU 103 Ca -0.02 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 3duk s LEU 103 Cb -0.14 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 3duk s LEU 103 CO 0.02 0.28 -0.15 -0.36 0.23 0.00 0.00 176.35 176.38 3duk s PHE 104 N -0.35 1.31 -0.03 0.29 0.08 0.65 -1.80 117.98 118.12 3duk s PHE 104 Ca 0.04 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.77 3duk s PHE 104 Cb -0.12 -0.76 -0.02 0.00 -0.57 0.00 0.00 43.02 41.54 3duk s PHE 104 CO 0.02 0.06 -0.24 -0.51 -0.10 0.00 0.00 175.22 174.45 3duk s LEU 105 N -1.34 2.13 0.16 -0.37 1.43 -0.49 -2.09 118.68 118.11 3duk s LEU 105 Ca 0.01 -0.45 0.06 0.00 -1.03 0.00 0.00 54.13 52.73 3duk s LEU 105 Cb -0.09 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 3duk s LEU 105 CO 0.02 0.31 -0.13 -0.76 0.23 0.00 0.00 176.35 176.02 3duk s LEU 106 N -0.52 2.50 -0.06 1.79 1.02 0.14 -1.51 118.68 122.03 3duk s LEU 106 Ca 0.07 -0.95 0.01 0.00 0.02 0.00 0.00 54.13 53.28 3duk s LEU 106 Cb -0.11 -0.51 0.02 0.00 0.02 0.00 0.00 46.19 45.61 3duk s LEU 106 CO 0.00 -0.22 -0.07 -0.22 0.02 0.00 0.00 176.35 175.86 3duk s LEU 107 N -2.98 1.34 -1.09 1.79 2.96 0.21 -2.12 118.68 118.80 3duk s LEU 107 Ca 0.16 -0.20 -0.22 0.00 -0.22 0.00 0.00 54.13 53.64 3duk s LEU 107 Cb -0.01 -0.62 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 3duk s LEU 107 CO 0.03 -0.05 1.77 -0.75 -1.32 0.00 0.00 176.35 176.04 3duk s LYS 108 N 1.04 3.10 -0.52 1.98 2.20 -0.65 -1.56 119.74 125.32 3duk s LYS 108 Ca -0.09 -1.08 -0.26 0.00 -0.36 0.00 0.00 55.97 54.19 3duk s LYS 108 Cb -0.14 -5.28 0.03 0.00 -1.51 0.00 0.00 37.83 30.93 3duk s LYS 108 CO -0.00 -3.00 1.03 -1.17 -0.36 0.00 0.00 175.35 171.85 3duk s LEU 109 N 7.80 3.84 -1.34 5.43 2.96 0.12 -3.96 118.68 133.53 3duk s LEU 109 Ca 0.60 0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 54.46 3duk s LEU 109 Cb -0.01 -3.13 0.02 0.00 0.50 0.00 0.00 46.19 43.57 3duk s LEU 109 CO 0.02 -1.25 1.09 -0.90 -1.32 0.00 0.00 176.35 174.00 3duk n ASP 110 N 7.69 -4.90 0.00 3.68 5.68 -1.26 -2.51 116.55 124.92 3duk n ASP 110 Ca 0.06 -0.61 0.00 0.00 -0.50 0.00 0.00 54.79 53.75 3duk n ASP 110 Cb 0.48 -4.85 0.00 0.00 -1.14 0.00 0.00 41.12 35.62 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 -1.75 1.10 2.98 6.12 0.00 -1.25 -5.02 105.19 107.36 3duk n GLY 111 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 3duk n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3duk s LYS 112 N -0.40 1.16 0.32 1.61 2.20 -1.04 -5.07 119.74 118.51 3duk s LYS 112 Ca 0.00 -0.28 -0.28 0.00 -0.36 0.00 0.00 55.97 55.05 3duk s LYS 112 Cb 0.00 -1.04 -0.09 0.00 -1.51 0.00 0.00 37.83 35.18 3duk s LYS 112 CO 0.00 0.03 1.11 -1.58 -0.36 0.00 0.00 175.35 174.55 3duk s TRP 113 N 0.55 3.42 -0.04 4.03 0.52 -1.26 -0.70 118.94 125.46 3duk s TRP 113 Ca -0.09 1.65 -0.14 0.00 0.02 0.00 0.00 56.10 57.53 3duk s TRP 113 Cb -0.13 -3.30 0.03 0.00 -1.15 0.00 0.00 33.47 28.92 3duk s TRP 113 CO 0.01 -0.76 0.32 -0.08 0.02 0.00 0.00 176.95 176.46 3duk s THR 114 N -1.28 0.04 0.02 2.01 -1.32 -0.60 -4.86 115.64 109.65 3duk s THR 114 Ca 0.49 -0.36 -0.30 0.00 -1.21 0.00 0.00 61.69 60.31 3duk s THR 114 Cb -0.31 -0.59 -0.05 0.00 -1.51 0.00 0.00 72.50 70.05 3duk s THR 114 CO 0.39 -0.20 1.19 -0.63 -2.21 0.00 0.00 174.62 173.17 3duk s ILE 115 N -0.97 4.13 -0.14 5.08 1.01 -0.54 -0.62 121.20 129.14 3duk s ILE 115 Ca -0.10 1.51 0.07 0.00 0.00 0.00 0.00 60.65 62.13 3duk s ILE 115 Cb -0.05 -3.97 -0.14 0.00 0.01 0.00 0.00 42.46 38.32 3duk s ILE 115 CO 0.03 0.08 -0.03 1.33 0.00 0.00 0.00 174.94 176.35 3duk n VAL 116 N 4.14 0.91 -4.34 2.92 0.24 -0.57 -0.72 118.33 120.92 3duk n VAL 116 Ca 0.09 -0.47 -0.19 0.00 -2.04 0.00 0.00 64.34 61.74 3duk n VAL 116 Cb 0.46 -0.83 -0.14 0.00 -1.47 0.00 0.00 33.84 31.86 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 -5.00 1.21 -0.01 -1.34 0.02 -0.91 -1.74 114.94 107.17 3duk s ASN 117 Ca -0.13 -0.28 -0.00 0.00 -1.02 0.00 0.00 52.86 51.43 3duk s ASN 117 Cb 0.05 -0.10 0.02 0.00 0.02 0.00 0.00 41.25 41.23 3duk s ASN 117 CO 0.47 0.06 0.02 -0.75 0.02 0.00 0.00 177.10 176.92 3duk s LYS 118 N -0.59 -0.01 0.03 -0.60 2.20 -0.97 -1.39 119.74 118.40 3duk s LYS 118 Ca 0.02 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 3duk s LYS 118 Cb -0.05 -0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.13 3duk s LYS 118 CO 0.00 -0.08 -0.03 0.14 -0.36 0.00 0.00 175.35 175.01 3duk s VAL 119 N 0.53 0.15 0.06 4.02 -7.23 -0.75 -1.80 120.40 115.40 3duk s VAL 119 Ca -0.04 -1.02 -0.10 0.00 -1.81 0.00 0.00 61.98 59.01 3duk s VAL 119 Cb -0.06 -0.42 0.00 0.00 0.56 0.00 0.00 36.38 36.46 3duk s VAL 119 CO -0.02 -0.55 0.21 0.72 -0.31 0.00 0.00 175.10 175.16 3duk s PHE 120 N -1.72 0.08 -0.18 2.82 -0.12 -1.08 -0.88 117.98 116.89 3duk s PHE 120 Ca -0.13 -0.39 0.01 0.00 -0.05 0.00 0.00 56.93 56.37 3duk s PHE 120 Cb -0.08 -0.02 0.02 0.00 -0.63 0.00 0.00 43.02 42.31 3duk s PHE 120 CO -0.02 -0.49 -0.18 -1.58 -0.05 0.00 0.00 175.22 172.89 3duk s HIS 121 N -3.18 2.73 -0.31 3.49 5.65 -0.81 -4.31 115.29 118.54 3duk s HIS 121 Ca -0.00 -1.64 -0.29 0.00 0.25 0.00 0.00 55.06 53.37 3duk s HIS 121 Cb 0.02 -1.87 0.01 0.00 -1.18 0.00 0.00 32.58 29.56 3duk s HIS 121 CO -0.07 -0.79 1.21 -1.17 -0.65 0.00 0.00 174.74 173.27 3duk s LEU 122 N 1.30 3.90 0.14 8.88 2.96 -1.26 -2.38 118.68 132.22 3duk s LEU 122 Ca 0.04 1.13 -0.31 0.00 -0.22 0.00 0.00 54.13 54.77 3duk s LEU 122 Cb -0.14 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.93 3duk s LEU 122 CO -0.12 -1.01 1.39 -1.00 -1.32 0.00 0.00 176.35 174.29 3duk s HIS 123 N 4.09 3.22 -2.00 5.38 3.76 -0.43 -4.99 115.29 124.33 3duk s HIS 123 Ca 0.52 0.98 0.16 0.00 -0.15 0.00 0.00 55.06 56.57 3duk s HIS 123 Cb -0.15 -3.69 0.96 0.00 1.11 0.00 0.00 32.58 30.81 3duk s HIS 123 CO 0.21 -2.38 1.37 0.00 -0.85 0.00 0.00 174.74 173.08