#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1srr s GLU 4 N 0.00 2.60 -0.04 1.20 2.56 -1.26 -5.01 118.70 118.74 1srr s GLU 4 Ca 0.00 -2.36 -0.16 0.00 0.00 0.00 0.00 54.97 52.45 1srr s GLU 4 Cb 0.00 -3.81 -0.05 0.00 2.00 0.00 0.00 34.13 32.27 1srr s GLU 4 CO 0.00 -1.18 0.44 0.15 -0.56 0.00 0.00 175.26 174.11 1srr s LYS 5 N 0.26 4.10 -0.01 4.30 3.01 -1.25 -0.53 119.74 129.62 1srr s LYS 5 Ca 0.15 0.43 0.01 0.00 -1.01 0.00 0.00 55.97 55.55 1srr s LYS 5 Cb -0.20 -3.30 0.00 0.00 -1.01 0.00 0.00 37.83 33.32 1srr s LYS 5 CO -0.04 0.49 -0.02 0.42 0.51 0.00 0.00 175.35 176.70 1srr s ILE 6 N -0.43 0.21 -0.09 2.17 1.01 -0.91 -0.80 121.20 122.36 1srr s ILE 6 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1srr s ILE 6 Cb -0.16 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.08 1srr s ILE 6 CO 0.12 0.07 -0.09 -0.22 0.00 0.00 0.00 174.94 174.82 1srr s LEU 7 N 0.06 3.01 -0.36 2.97 0.20 -0.61 -1.77 118.68 122.19 1srr s LEU 7 Ca -0.00 -0.13 -0.04 0.00 0.69 0.00 0.00 54.13 54.65 1srr s LEU 7 Cb -0.03 -1.66 0.08 0.00 -0.43 0.00 0.00 46.19 44.15 1srr s LEU 7 CO -0.00 0.29 0.13 -0.63 -0.29 0.00 0.00 176.35 175.84 1srr s ILE 8 N -0.37 3.37 -0.31 6.68 1.09 -0.64 -0.94 121.20 130.08 1srr s ILE 8 Ca 0.05 -1.62 -0.14 0.00 -1.10 0.00 0.00 60.65 57.83 1srr s ILE 8 Cb -0.12 -3.10 -0.03 0.00 -1.06 0.00 0.00 42.46 38.15 1srr s ILE 8 CO 0.02 -0.40 0.33 -0.69 -0.10 0.00 0.00 174.94 174.10 1srr s VAL 9 N 1.25 5.20 -0.28 2.92 1.01 -0.59 -0.76 120.40 129.14 1srr s VAL 9 Ca 0.02 0.20 -0.22 0.00 0.00 0.00 0.00 61.98 61.97 1srr s VAL 9 Cb -0.21 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.53 1srr s VAL 9 CO -0.01 0.03 0.84 -0.62 0.00 0.00 0.00 175.10 175.34 1srr s ASP 10 N 1.71 -0.67 0.08 3.32 -1.08 -0.42 -1.32 116.67 118.29 1srr s ASP 10 Ca 0.12 1.21 -0.28 0.00 -0.52 0.00 0.00 52.55 53.08 1srr s ASP 10 Cb -0.16 1.25 -0.12 0.00 -1.46 0.00 0.00 42.92 42.42 1srr s ASP 10 CO 0.11 -0.20 1.44 -0.78 0.52 0.00 0.00 175.17 176.26 1srr h ASP 11 N 5.30 -1.22 -3.32 -0.34 3.58 -1.85 -3.39 116.42 115.19 1srr h ASP 11 Ca -0.29 0.12 -0.59 0.00 0.42 0.00 0.00 57.03 56.70 1srr h ASP 11 Cb 1.18 0.44 -0.08 0.00 1.72 0.00 0.00 39.33 42.60 1srr h ASP 11 CO 0.11 -0.47 0.66 -1.10 -2.88 0.00 0.00 179.24 175.57 1srr s GLN 12 N -5.20 4.07 0.17 0.28 -0.21 -1.26 -4.99 119.66 112.52 1srr s GLN 12 Ca -0.13 0.94 -0.15 0.00 0.02 0.00 0.00 55.36 56.04 1srr s GLN 12 Cb 0.04 -3.71 0.13 0.00 1.00 0.00 0.00 33.01 30.47 1srr s GLN 12 CO 0.48 -0.76 1.71 0.77 -2.12 0.00 0.00 175.29 175.36 1srr h SER 13 N 7.98 -0.08 -0.26 5.90 0.02 -1.99 -2.09 113.55 123.03 1srr h SER 13 Ca -0.22 0.09 0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1srr h SER 13 Cb 1.07 0.13 -0.07 0.00 0.14 0.00 0.00 62.40 63.68 1srr h SER 13 CO 0.97 -0.00 -0.22 1.23 -1.14 0.00 0.00 176.83 177.66 1srr h GLY 14 N 0.17 -0.09 1.36 -3.77 0.00 -1.98 0.17 103.07 98.92 1srr h GLY 14 Ca 0.21 0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.64 1srr h GLY 14 CO -0.31 -0.19 -0.52 0.16 0.00 0.00 0.00 176.54 175.68 1srr h ILE 15 N -0.21 1.30 0.08 2.60 3.07 -1.96 -0.37 117.51 122.02 1srr h ILE 15 Ca 0.14 -1.73 0.01 0.00 1.55 0.00 0.00 64.86 64.83 1srr h ILE 15 Cb 0.43 1.67 -0.01 0.00 -0.27 0.00 0.00 36.82 38.64 1srr h ILE 15 CO -0.38 0.55 -0.10 -0.09 -1.05 0.00 0.00 178.15 177.08 1srr h ARG 16 N 0.53 -0.21 -0.23 0.16 2.43 -1.06 0.56 114.38 116.57 1srr h ARG 16 Ca 0.02 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 1srr h ARG 16 Cb 1.08 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1srr h ARG 16 CO 0.11 -0.14 -0.28 0.82 -1.51 0.00 0.00 179.97 178.97 1srr h ILE 17 N -0.21 1.27 -0.07 1.20 2.04 -0.67 -0.51 117.51 120.56 1srr h ILE 17 Ca 0.01 -1.31 -0.14 0.00 1.00 0.00 0.00 64.86 64.43 1srr h ILE 17 Cb 0.22 1.41 0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1srr h ILE 17 CO -0.04 0.41 -0.49 -0.07 0.00 0.00 0.00 178.15 177.95 1srr h LEU 18 N 0.39 0.56 -0.88 1.44 4.07 -0.64 -2.26 115.31 117.99 1srr h LEU 18 Ca 0.05 -0.67 0.13 0.00 0.08 0.00 0.00 57.88 57.48 1srr h LEU 18 Cb 0.70 -0.17 -0.09 0.00 1.08 0.00 0.00 40.66 42.18 1srr h LEU 18 CO 0.05 1.14 0.49 -0.07 -1.08 0.00 0.00 178.44 178.98 1srr h LEU 19 N 0.03 0.66 -0.32 1.67 3.38 0.28 -1.90 115.31 119.11 1srr h LEU 19 Ca -0.04 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1srr h LEU 19 Cb 1.15 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 1srr h LEU 19 CO 0.10 0.32 -0.22 -1.13 0.09 0.00 0.00 178.44 177.60 1srr h ASN 20 N 0.75 -0.73 0.42 -0.43 -0.73 -0.91 -0.25 115.58 113.69 1srr h ASN 20 Ca 0.46 0.15 -0.02 0.00 1.87 0.00 0.00 56.30 58.75 1srr h ASN 20 Cb 0.56 0.37 -0.00 0.00 0.27 0.00 0.00 38.32 39.51 1srr h ASN 20 CO -0.31 -0.25 -0.09 -0.08 -0.37 0.00 0.00 177.43 176.32 1srr h GLU 21 N -0.19 0.00 0.14 6.67 4.57 -0.77 -0.88 114.58 124.12 1srr h GLU 21 Ca 0.16 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1srr h GLU 21 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1srr h GLU 21 CO -0.43 0.09 -0.07 0.28 -1.18 0.00 0.00 179.01 177.71 1srr h VAL 22 N 0.00 1.03 0.00 0.32 2.07 -0.39 -2.36 116.25 116.91 1srr h VAL 22 Ca -0.00 -0.93 -0.12 0.00 0.82 0.00 0.00 66.70 66.47 1srr h VAL 22 Cb 0.32 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1srr h VAL 22 CO 0.01 0.21 -0.55 -0.26 0.02 0.00 0.00 177.57 177.00 1srr h PHE 23 N -0.65 0.00 -0.41 1.57 0.04 -0.96 -0.95 116.94 115.58 1srr h PHE 23 Ca -0.02 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 1srr h PHE 23 Cb 0.49 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 1srr h PHE 23 CO 0.06 0.55 0.15 -0.91 -0.60 0.00 0.00 178.31 177.56 1srr h ASN 24 N 0.00 0.58 -0.38 2.17 -0.26 -1.21 0.24 115.58 116.72 1srr h ASN 24 Ca -0.01 -0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.53 1srr h ASN 24 Cb 0.98 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 38.07 1srr h ASN 24 CO 0.07 0.61 0.18 0.50 -1.06 0.00 0.00 177.43 177.73 1srr h LYS 25 N 0.52 0.54 0.00 0.81 3.64 -1.31 -2.31 116.57 118.46 1srr h LYS 25 Ca 0.13 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1srr h LYS 25 Cb 0.22 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1srr h LYS 25 CO -0.01 0.48 -0.00 1.49 -2.27 0.00 0.00 179.45 179.14 1srr h GLU 26 N 0.47 0.00 0.00 1.90 4.81 -0.80 -3.46 114.58 117.51 1srr h GLU 26 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1srr h GLU 26 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1srr h GLU 26 CO -0.02 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.67 1srr n GLY 27 N -1.23 1.16 3.83 1.92 0.00 -0.04 -5.05 105.19 105.77 1srr n GLY 27 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1srr n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1srr s TYR 28 N -1.79 3.69 -0.09 1.61 2.02 0.63 -4.75 117.35 118.67 1srr s TYR 28 Ca 0.00 1.11 -0.30 0.00 -0.37 0.00 0.00 57.07 57.51 1srr s TYR 28 Cb 0.00 -2.39 -0.02 0.00 -0.40 0.00 0.00 41.96 39.15 1srr s TYR 28 CO 0.00 0.52 1.13 -1.14 -1.57 0.00 0.00 175.55 174.50 1srr s GLN 29 N -1.53 4.36 0.35 -0.62 0.74 0.31 -3.97 119.66 119.30 1srr s GLN 29 Ca 0.32 1.56 0.09 0.00 0.05 0.00 0.00 55.36 57.39 1srr s GLN 29 Cb -0.17 -3.57 -0.07 0.00 1.10 0.00 0.00 33.01 30.30 1srr s GLN 29 CO 0.18 -0.44 -0.09 0.95 -0.55 0.00 0.00 175.29 175.34 1srr s THR 30 N 2.32 2.21 0.04 -0.34 -4.23 -1.26 -2.13 115.64 112.24 1srr s THR 30 Ca 0.53 -2.19 -0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1srr s THR 30 Cb -0.22 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 1srr s THR 30 CO 0.19 -0.19 0.03 -0.36 -0.54 0.00 0.00 174.62 173.75 1srr s PHE 31 N -2.63 0.30 0.11 3.99 0.08 -0.73 -4.94 117.98 114.16 1srr s PHE 31 Ca 0.33 -0.66 0.04 0.00 0.12 0.00 0.00 56.93 56.76 1srr s PHE 31 Cb 0.03 -0.22 -0.04 0.00 -0.57 0.00 0.00 43.02 42.22 1srr s PHE 31 CO 0.16 -0.32 -0.11 -0.65 -0.10 0.00 0.00 175.22 174.20 1srr s GLN 32 N -2.64 0.94 0.03 0.44 -0.21 -1.26 -1.62 119.66 115.33 1srr s GLN 32 Ca -0.05 -1.24 -0.07 0.00 0.02 0.00 0.00 55.36 54.02 1srr s GLN 32 Cb -0.01 -0.64 -0.00 0.00 1.00 0.00 0.00 33.01 33.36 1srr s GLN 32 CO -0.05 0.10 0.13 0.00 -2.12 0.00 0.00 175.29 173.35 1srr s ALA 33 N -2.58 -0.22 0.00 6.09 0.00 0.06 -4.89 121.76 120.23 1srr s ALA 33 Ca 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1srr s ALA 33 Cb -0.02 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1srr s ALA 33 CO 0.01 -0.29 0.24 0.00 0.00 0.00 0.00 175.76 175.72 1srr n ALA 34 N 0.99 2.11 -3.22 0.00 0.00 -1.26 -1.30 120.51 117.83 1srr n ALA 34 Ca -0.20 -0.24 -0.09 0.00 0.00 0.00 0.00 53.44 52.91 1srr n ALA 34 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 1srr n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1srr s ASN 35 N -0.47 -0.04 0.34 0.00 2.20 -1.26 -4.20 114.94 111.51 1srr s ASN 35 Ca 0.00 -0.95 0.06 0.00 -0.94 0.00 0.00 52.86 51.03 1srr s ASN 35 Cb 0.00 0.61 0.72 0.00 -2.00 0.00 0.00 41.25 40.57 1srr s ASN 35 CO 0.00 -1.18 1.91 1.23 -2.94 0.00 0.00 177.10 176.12 1srr h GLY 36 N 2.22 1.16 0.38 0.45 0.00 -1.97 0.16 103.07 105.48 1srr h GLY 36 Ca -0.26 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 1srr h GLY 36 CO 0.35 0.19 -0.18 0.17 0.00 0.00 0.00 176.54 177.06 1srr h LEU 37 N 0.80 -0.44 -0.74 3.11 8.10 -1.98 -0.71 115.31 123.46 1srr h LEU 37 Ca 0.39 0.02 0.05 0.00 0.11 0.00 0.00 57.88 58.44 1srr h LEU 37 Cb 0.44 0.11 -0.05 0.00 -0.44 0.00 0.00 40.66 40.72 1srr h LEU 37 CO -0.16 -0.17 0.44 1.56 -4.11 0.00 0.00 178.44 176.00 1srr h GLN 38 N -0.79 0.81 0.08 0.17 4.20 -1.96 0.60 115.11 118.22 1srr h GLN 38 Ca -0.05 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.63 1srr h GLN 38 Cb 0.39 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 1srr h GLN 38 CO 0.09 0.53 -0.42 0.00 -0.67 0.00 0.00 178.83 178.36 1srr h ALA 39 N 1.35 -0.73 -0.69 3.87 0.00 -0.73 0.54 119.26 122.86 1srr h ALA 39 Ca 0.32 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1srr h ALA 39 Cb 0.12 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1srr h ALA 39 CO -0.15 -0.98 0.46 -0.07 0.00 0.00 0.00 179.25 178.50 1srr h LEU 40 N -0.63 0.72 0.84 0.00 3.38 -0.76 -1.85 115.31 117.02 1srr h LEU 40 Ca 0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1srr h LEU 40 Cb 0.67 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1srr h LEU 40 CO -0.27 0.50 -0.40 0.44 0.09 0.00 0.00 178.44 178.80 1srr h ASP 41 N 0.84 -0.96 -0.94 -0.43 5.19 0.16 -2.11 116.42 118.17 1srr h ASP 41 Ca 0.28 0.03 0.18 0.00 -0.62 0.00 0.00 57.03 56.90 1srr h ASP 41 Cb 0.06 0.25 -0.11 0.00 0.18 0.00 0.00 39.33 39.71 1srr h ASP 41 CO -0.08 -0.63 0.53 0.40 -3.12 0.00 0.00 179.24 176.35 1srr h ILE 42 N -1.25 0.67 -0.59 0.35 2.04 0.29 0.71 117.51 119.74 1srr h ILE 42 Ca -0.12 -0.23 0.11 0.00 1.00 0.00 0.00 64.86 65.63 1srr h ILE 42 Cb 0.88 -0.05 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 1srr h ILE 42 CO 0.19 0.12 0.09 0.58 0.00 0.00 0.00 178.15 179.13 1srr h VAL 43 N 0.67 0.61 0.13 1.67 2.07 -1.17 1.71 116.25 121.93 1srr h VAL 43 Ca 0.55 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.99 1srr h VAL 43 Cb 0.87 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1srr h VAL 43 CO -0.40 0.04 -0.06 0.74 0.02 0.00 0.00 177.57 177.91 1srr h THR 44 N 0.22 1.04 0.00 2.57 2.02 -0.19 0.25 112.91 118.81 1srr h THR 44 Ca 0.31 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1srr h THR 44 Cb 0.46 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 1srr h THR 44 CO -0.42 0.23 0.00 0.29 0.37 0.00 0.00 175.52 175.99 1srr n LYS 45 N -4.94 0.01 0.00 6.66 4.01 0.22 -4.09 118.16 120.04 1srr n LYS 45 Ca -0.08 0.25 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 1srr n LYS 45 Cb 0.26 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.28 1srr n LYS 45 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1srr n GLU 46 N -1.49 4.84 -3.53 1.97 0.28 0.57 -5.00 120.64 118.29 1srr n GLU 46 Ca 0.04 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.83 1srr n GLU 46 Cb 0.16 -0.40 0.02 0.00 1.43 0.00 0.00 31.44 32.65 1srr n GLU 46 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1srr n ARG 47 N 0.00 -1.35 -0.90 3.44 5.12 0.86 -4.93 116.66 118.91 1srr n ARG 47 Ca 0.00 0.83 -0.30 0.00 -1.93 0.00 0.00 57.85 56.44 1srr n ARG 47 Cb 0.00 -4.11 0.16 0.00 -1.16 0.00 0.00 32.46 27.35 1srr n ARG 47 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1srr s PRO 48 N -4.87 1.01 0.08 5.56 0.04 -1.26 -4.95 135.00 130.61 1srr s PRO 48 Ca 0.22 1.20 0.06 0.00 0.04 0.00 0.00 61.00 62.53 1srr s PRO 48 Cb -0.08 -1.75 -0.23 0.00 0.04 0.00 0.00 34.50 32.49 1srr s PRO 48 CO 0.84 -2.52 1.12 -0.44 0.04 0.00 0.00 177.00 176.03 1srr h ASP 49 N -1.77 0.07 -5.46 6.66 3.32 -1.62 -3.44 116.42 114.18 1srr h ASP 49 Ca -0.48 -0.08 -0.20 0.00 0.02 0.00 0.00 57.03 56.29 1srr h ASP 49 Cb 1.27 -0.02 -0.15 0.00 0.22 0.00 0.00 39.33 40.65 1srr h ASP 49 CO 0.48 1.07 -0.64 -0.22 -1.72 0.00 0.00 179.24 178.21 1srr s LEU 50 N -6.66 1.61 -0.19 1.55 2.96 0.02 -1.17 118.68 116.80 1srr s LEU 50 Ca -0.01 -1.25 -0.11 0.00 -0.22 0.00 0.00 54.13 52.54 1srr s LEU 50 Cb 0.09 0.33 0.06 0.00 0.50 0.00 0.00 46.19 47.17 1srr s LEU 50 CO 0.83 -0.76 0.46 0.54 -1.32 0.00 0.00 176.35 176.11 1srr s VAL 51 N -4.07 -0.02 -0.26 1.68 0.11 0.12 -1.57 120.40 116.39 1srr s VAL 51 Ca 0.28 0.07 -0.07 0.00 -2.93 0.00 0.00 61.98 59.33 1srr s VAL 51 Cb 0.07 -0.68 -0.01 0.00 -1.53 0.00 0.00 36.38 34.23 1srr s VAL 51 CO 0.04 0.03 0.06 -0.76 -3.33 0.00 0.00 175.10 171.14 1srr s LEU 52 N 1.37 3.48 -0.66 2.54 1.43 -0.12 -0.03 118.68 126.70 1srr s LEU 52 Ca -0.09 -0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 52.44 1srr s LEU 52 Cb -0.07 -1.88 0.12 0.00 0.03 0.00 0.00 46.19 44.38 1srr s LEU 52 CO -0.13 -0.08 0.76 -0.22 0.23 0.00 0.00 176.35 176.91 1srr s LEU 53 N 1.56 5.49 0.05 1.79 0.20 0.15 -1.55 118.68 126.38 1srr s LEU 53 Ca 0.05 -1.64 -0.31 0.00 0.69 0.00 0.00 54.13 52.92 1srr s LEU 53 Cb -0.16 -2.30 -0.10 0.00 -0.43 0.00 0.00 46.19 43.20 1srr s LEU 53 CO 0.02 -1.06 1.91 -0.67 -0.29 0.00 0.00 176.35 176.26 1srr n ASP 54 N 6.12 4.00 0.12 3.68 2.03 -0.43 -0.30 116.55 131.76 1srr n ASP 54 Ca -0.03 0.94 0.00 0.00 0.52 0.00 0.00 54.79 56.22 1srr n ASP 54 Cb 0.44 -1.51 -0.01 0.00 -0.72 0.00 0.00 41.12 39.32 1srr n ASP 54 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1srr h MET 55 N 9.62 0.00 -3.66 -0.67 2.86 -1.61 -3.42 114.93 118.06 1srr h MET 55 Ca -0.48 0.00 -0.74 0.00 -2.06 0.00 0.00 59.70 56.41 1srr h MET 55 Cb 1.24 0.00 -0.31 0.00 0.06 0.00 0.00 31.60 32.59 1srr h MET 55 CO 0.94 0.60 -0.12 0.15 1.06 0.00 0.00 176.91 179.55 1srr s LYS 56 N -2.90 3.12 -0.56 1.72 3.01 -1.26 -3.98 119.74 118.89 1srr s LYS 56 Ca 0.03 -2.59 0.04 0.00 -1.01 0.00 0.00 55.97 52.45 1srr s LYS 56 Cb 0.08 -4.08 0.14 0.00 -1.01 0.00 0.00 37.83 32.96 1srr s LYS 56 CO 0.77 -1.23 0.31 0.42 0.51 0.00 0.00 175.35 176.13 1srr s ILE 57 N -0.11 2.66 0.00 2.17 1.01 -1.26 -4.85 121.20 120.81 1srr s ILE 57 Ca 0.19 -3.55 0.00 0.00 0.00 0.00 0.00 60.65 57.29 1srr s ILE 57 Cb -0.15 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.50 1srr s ILE 57 CO -0.06 -0.85 0.00 -2.65 0.00 0.00 0.00 174.94 171.38 1srr n PRO 58 N 2.84 0.00 -0.65 2.79 -0.01 -1.26 0.89 135.00 139.60 1srr n PRO 58 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.57 1srr n PRO 58 Cb 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.82 1srr n PRO 58 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1srr n GLY 59 N 0.00 0.70 3.46 -1.23 0.00 -1.26 -5.05 105.19 101.80 1srr n GLY 59 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1srr n GLY 59 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1srr s MET 60 N -0.35 3.29 -0.58 1.61 0.00 0.26 -5.06 119.30 118.47 1srr s MET 60 Ca 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 55.69 54.96 1srr s MET 60 Cb 0.00 -2.69 0.15 0.00 0.00 0.00 0.00 34.83 32.28 1srr s MET 60 CO 0.00 0.34 0.49 0.34 0.00 0.00 0.00 175.02 176.19 1srr s ASP 61 N 0.06 6.07 0.48 1.11 -1.08 -1.26 -4.25 116.67 117.80 1srr s ASP 61 Ca -0.03 -2.07 0.27 0.00 -0.52 0.00 0.00 52.55 50.20 1srr s ASP 61 Cb -0.14 -2.12 1.12 0.00 -1.46 0.00 0.00 42.92 40.32 1srr s ASP 61 CO 0.04 -0.72 1.91 1.23 0.52 0.00 0.00 175.17 178.14 1srr h GLY 62 N 8.42 0.00 0.86 2.66 0.00 -1.89 -2.78 103.07 110.34 1srr h GLY 62 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1srr h GLY 62 CO 0.91 0.00 -0.09 -2.22 0.00 0.00 0.00 176.54 175.13 1srr h ILE 63 N 0.00 0.86 -0.53 2.60 1.08 -1.92 0.54 117.51 120.15 1srr h ILE 63 Ca -0.00 -0.29 0.14 0.00 -0.39 0.00 0.00 64.86 64.31 1srr h ILE 63 Cb 0.62 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 1srr h ILE 63 CO 0.02 0.07 0.37 -0.33 -0.69 0.00 0.00 178.15 177.59 1srr h GLU 64 N -0.41 0.10 0.06 2.37 4.39 -1.97 0.20 114.58 119.33 1srr h GLU 64 Ca -0.03 -0.01 -0.27 0.00 0.34 0.00 0.00 59.36 59.39 1srr h GLU 64 Cb 0.31 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1srr h GLU 64 CO 0.04 0.07 -1.13 0.82 -1.16 0.00 0.00 179.01 177.66 1srr h ILE 65 N 0.11 1.32 -0.48 3.13 1.08 -1.09 -1.02 117.51 120.56 1srr h ILE 65 Ca 0.25 -2.44 0.07 0.00 -0.39 0.00 0.00 64.86 62.35 1srr h ILE 65 Cb 0.86 2.56 -0.06 0.00 -3.07 0.00 0.00 36.82 37.12 1srr h ILE 65 CO -0.03 0.74 0.15 0.25 -0.69 0.00 0.00 178.15 178.58 1srr h LEU 66 N 0.29 0.14 0.29 1.44 5.85 0.28 0.32 115.31 123.91 1srr h LEU 66 Ca -0.15 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1srr h LEU 66 Cb 1.79 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.88 1srr h LEU 66 CO 0.21 0.11 -0.14 0.11 -0.34 0.00 0.00 178.44 178.39 1srr h LYS 67 N 0.32 -0.38 -0.65 1.25 1.57 -0.67 -1.86 116.57 116.16 1srr h LYS 67 Ca 0.23 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.19 1srr h LYS 67 Cb 0.26 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1srr h LYS 67 CO -0.25 -0.22 0.44 0.00 -0.57 0.00 0.00 179.45 178.86 1srr h ARG 68 N -0.44 0.22 0.13 3.15 3.08 -0.56 0.27 114.38 120.24 1srr h ARG 68 Ca -0.04 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.79 1srr h ARG 68 Cb 0.33 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.36 1srr h ARG 68 CO 0.07 0.14 -0.89 0.52 -1.07 0.00 0.00 179.97 178.74 1srr h MET 69 N 0.23 0.36 -0.26 0.04 2.86 0.05 -1.92 114.93 116.29 1srr h MET 69 Ca 0.31 -0.57 0.03 0.00 -2.06 0.00 0.00 59.70 57.41 1srr h MET 69 Cb 0.91 0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.74 1srr h MET 69 CO -0.06 1.26 0.06 0.87 1.06 0.00 0.00 176.91 180.09 1srr h LYS 70 N -0.23 0.16 -1.00 1.72 1.79 -0.91 0.90 116.57 118.99 1srr h LYS 70 Ca -0.15 -0.01 0.22 0.00 -2.18 0.00 0.00 60.65 58.53 1srr h LYS 70 Cb 1.67 -0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 32.18 1srr h LYS 70 CO 0.17 0.10 0.61 0.28 -1.08 0.00 0.00 179.45 179.54 1srr h VAL 71 N 0.16 0.62 0.05 0.50 2.07 -0.50 4.37 116.25 123.53 1srr h VAL 71 Ca 0.12 -0.22 -0.26 0.00 0.82 0.00 0.00 66.70 67.16 1srr h VAL 71 Cb 0.11 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 1srr h VAL 71 CO -0.15 0.12 -1.30 0.40 0.02 0.00 0.00 177.57 176.66 1srr h ILE 72 N 0.63 1.39 0.00 4.57 2.04 -0.34 -3.42 117.51 122.38 1srr h ILE 72 Ca 0.60 -3.08 -0.21 0.00 1.00 0.00 0.00 64.86 63.16 1srr h ILE 72 Cb 1.11 2.77 -0.03 0.00 -0.74 0.00 0.00 36.82 39.93 1srr h ILE 72 CO -0.39 0.84 -1.74 0.47 0.00 0.00 0.00 178.15 177.33 1srr n ASP 73 N -3.36 1.70 0.00 1.72 8.00 0.30 -5.00 116.55 119.91 1srr n ASP 73 Ca -0.08 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1srr n ASP 73 Cb 1.00 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 1srr n ASP 73 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1srr n GLU 74 N -3.34 0.00 0.00 -1.24 0.28 1.42 -4.34 120.64 113.42 1srr n GLU 74 Ca -0.25 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 56.88 1srr n GLU 74 Cb 0.71 0.00 0.63 0.00 1.43 0.00 0.00 31.44 34.21 1srr n GLU 74 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1srr n ASN 75 N 3.89 0.00 -4.61 -1.84 2.04 -1.26 -4.86 115.26 108.62 1srr n ASN 75 Ca 0.00 0.04 -0.40 0.00 -0.44 0.00 0.00 54.58 53.78 1srr n ASN 75 Cb 0.00 -0.33 0.02 0.00 -2.53 0.00 0.00 39.78 36.94 1srr n ASN 75 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1srr n ILE 76 N -1.33 2.69 -3.72 1.53 0.13 -1.26 -4.92 119.36 112.47 1srr n ILE 76 Ca 0.11 -0.50 -0.37 0.00 -1.10 0.00 0.00 62.75 60.89 1srr n ILE 76 Cb 0.23 -1.17 -0.12 0.00 -0.84 0.00 0.00 39.64 37.73 1srr n ILE 76 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 1srr s ARG 77 N -2.18 3.40 -0.09 9.51 0.52 -0.32 -4.96 118.95 124.83 1srr s ARG 77 Ca 0.66 -0.66 -0.01 0.00 -0.52 0.00 0.00 55.73 55.20 1srr s ARG 77 Cb -0.52 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 31.51 1srr s ARG 77 CO 0.55 -0.33 -0.05 0.54 0.02 0.00 0.00 175.30 176.03 1srr s VAL 78 N 1.58 3.81 -0.14 3.52 0.11 -1.26 0.16 120.40 128.19 1srr s VAL 78 Ca 0.05 -0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 58.67 1srr s VAL 78 Cb -0.16 -2.59 0.03 0.00 -1.53 0.00 0.00 36.38 32.13 1srr s VAL 78 CO 0.04 0.57 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.70 1srr s ILE 79 N -0.48 0.95 0.45 7.04 1.01 0.96 -0.69 121.20 130.43 1srr s ILE 79 Ca 0.07 -0.40 -0.18 0.00 0.00 0.00 0.00 60.65 60.15 1srr s ILE 79 Cb -0.12 -1.08 -0.09 0.00 0.01 0.00 0.00 42.46 41.18 1srr s ILE 79 CO 0.02 0.22 0.92 0.27 0.00 0.00 0.00 174.94 176.37 1srr s ILE 80 N 1.72 4.51 -0.25 2.92 -4.36 -1.12 0.34 121.20 124.96 1srr s ILE 80 Ca 0.03 1.25 0.01 0.00 -0.26 0.00 0.00 60.65 61.67 1srr s ILE 80 Cb -0.14 -3.66 0.04 0.00 1.25 0.00 0.00 42.46 39.96 1srr s ILE 80 CO -0.08 -0.46 -0.09 -0.04 0.24 0.00 0.00 174.94 174.52 1srr s MET 81 N -3.54 2.53 0.26 0.37 -1.94 0.59 -0.88 119.30 116.68 1srr s MET 81 Ca 0.59 -1.17 0.10 0.00 -1.71 0.00 0.00 55.69 53.50 1srr s MET 81 Cb -0.10 -2.92 -0.05 0.00 2.01 0.00 0.00 34.83 33.78 1srr s MET 81 CO 0.22 -0.49 -0.10 0.95 -0.01 0.00 0.00 175.02 175.59 1srr s THR 82 N 1.21 3.00 0.57 2.05 -4.23 -0.48 -1.52 115.64 116.25 1srr s THR 82 Ca -0.04 -2.06 -0.18 0.00 -1.18 0.00 0.00 61.69 58.23 1srr s THR 82 Cb -0.18 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 1srr s THR 82 CO -0.05 -0.33 1.10 0.00 -0.54 0.00 0.00 174.62 174.79 1srr s ALA 83 N -2.27 2.67 -0.20 3.99 0.00 -1.26 0.25 121.76 124.93 1srr s ALA 83 Ca 0.29 0.66 -0.08 0.00 0.00 0.00 0.00 51.96 52.84 1srr s ALA 83 Cb -0.06 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 1srr s ALA 83 CO 0.17 -0.84 1.14 0.98 0.00 0.00 0.00 175.76 177.21 1srr n TYR 84 N -1.65 0.17 0.00 0.00 9.36 0.13 -4.44 117.16 120.73 1srr n TYR 84 Ca 0.11 -0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.25 1srr n TYR 84 Cb 0.52 -0.89 0.00 0.00 -0.63 0.00 0.00 39.34 38.34 1srr n TYR 84 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1srr n GLY 85 N 4.61 -0.74 0.78 2.98 0.00 -1.26 -5.01 105.19 106.55 1srr n GLY 85 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1srr n GLY 85 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1srr n GLU 86 N 0.00 0.00 0.00 1.61 4.07 -1.26 -4.94 120.64 120.12 1srr n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1srr n GLU 86 Cb 0.00 -1.29 0.00 0.00 -0.06 0.00 0.00 31.44 30.09 1srr n GLU 86 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1srr n LEU 87 N -0.78 0.00 -0.27 4.31 0.00 -1.26 -1.89 117.00 117.11 1srr n LEU 87 Ca 0.00 0.65 -0.06 0.00 0.00 0.00 0.00 56.01 56.60 1srr n LEU 87 Cb 0.32 -0.26 0.07 0.00 0.00 0.00 0.00 43.42 43.55 1srr n LEU 87 CO 0.00 -0.26 1.00 0.44 0.00 0.00 0.00 177.39 178.57 1srr h ASP 88 N 0.00 1.07 -0.95 1.96 3.32 -2.00 -3.03 116.42 116.79 1srr h ASP 88 Ca 0.00 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 56.86 1srr h ASP 88 Cb 0.00 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.22 1srr h ASP 88 CO 0.00 0.99 0.63 -0.03 -1.72 0.00 0.00 179.24 179.11 1srr h MET 89 N 1.11 1.25 -0.02 3.56 4.05 -1.95 -0.34 114.93 122.58 1srr h MET 89 Ca 0.24 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.59 1srr h MET 89 Cb 0.29 -0.28 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1srr h MET 89 CO -0.01 0.83 0.01 0.82 0.23 0.00 0.00 176.91 178.79 1srr h ILE 90 N 1.29 1.09 0.22 1.77 2.04 -1.26 -0.87 117.51 121.80 1srr h ILE 90 Ca 0.35 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1srr h ILE 90 Cb -0.14 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1srr h ILE 90 CO -0.08 0.08 -0.36 -0.61 0.00 0.00 0.00 178.15 177.17 1srr h GLN 91 N -0.07 -0.64 -0.00 2.37 5.75 -1.39 0.47 115.11 121.60 1srr h GLN 91 Ca 0.01 0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 1srr h GLN 91 Cb 0.11 0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.76 1srr h GLN 91 CO -0.00 -0.42 -0.26 1.49 -2.65 0.00 0.00 178.83 176.99 1srr h GLU 92 N -0.66 -0.38 -0.82 1.69 4.81 -1.06 0.76 114.58 118.92 1srr h GLU 92 Ca 0.00 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1srr h GLU 92 Cb 0.65 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.06 1srr h GLU 92 CO -0.15 -0.25 0.53 0.77 -0.73 0.00 0.00 179.01 179.18 1srr h SER 93 N -0.40 0.67 -0.28 1.04 0.02 -0.88 0.17 113.55 113.90 1srr h SER 93 Ca 0.06 0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.85 1srr h SER 93 Cb 0.48 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1srr h SER 93 CO -0.23 0.39 -0.56 0.11 -1.14 0.00 0.00 176.83 175.40 1srr h LYS 94 N 0.74 0.87 -0.40 3.45 6.56 0.14 0.24 116.57 128.16 1srr h LYS 94 Ca 0.38 -0.56 0.01 0.00 -1.06 0.00 0.00 60.65 59.42 1srr h LYS 94 Cb 0.48 0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.19 1srr h LYS 94 CO -0.15 1.19 0.27 0.93 -2.06 0.00 0.00 179.45 179.63 1srr h GLU 95 N 0.65 0.49 0.00 3.15 5.08 0.33 -1.59 114.58 122.68 1srr h GLU 95 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1srr h GLU 95 Cb 1.17 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1srr h GLU 95 CO 0.12 0.33 0.00 1.28 -1.00 0.00 0.00 179.01 179.74 1srr n LEU 96 N -4.48 0.00 0.00 1.33 4.77 -0.09 -4.90 117.00 113.63 1srr n LEU 96 Ca 0.03 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1srr n LEU 96 Cb 0.09 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1srr n LEU 96 CO 0.35 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1srr n GLY 97 N 1.06 0.94 3.75 -0.72 0.00 -0.60 -4.93 105.19 104.69 1srr n GLY 97 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1srr n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1srr s ALA 98 N -2.00 3.60 0.11 4.61 0.00 0.81 -4.66 121.76 124.23 1srr s ALA 98 Ca 0.00 1.32 -0.16 0.00 0.00 0.00 0.00 51.96 53.13 1srr s ALA 98 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1srr s ALA 98 CO 0.00 -0.74 1.53 -0.07 0.00 0.00 0.00 175.76 176.48 1srr h LEU 99 N 4.60 0.63 0.00 0.00 4.07 -1.23 -3.42 115.31 119.97 1srr h LEU 99 Ca -0.47 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.15 1srr h LEU 99 Cb 1.22 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.79 1srr h LEU 99 CO 0.75 0.82 0.00 1.07 -1.08 0.00 0.00 178.44 179.99 1srr n THR 100 N -4.47 0.00 -4.07 0.22 5.66 -1.26 -5.09 114.28 105.27 1srr n THR 100 Ca -0.02 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.86 1srr n THR 100 Cb 0.31 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.97 1srr n THR 100 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 175.07 170.64 1srr s HIS 101 N -4.94 0.66 -0.06 1.09 -3.43 -1.26 -2.77 115.29 104.58 1srr s HIS 101 Ca 0.00 -0.59 0.05 0.00 -0.80 0.00 0.00 55.06 53.72 1srr s HIS 101 Cb 0.00 -0.40 -0.00 0.00 -1.43 0.00 0.00 32.58 30.75 1srr s HIS 101 CO 0.00 -0.11 -0.21 -0.06 -2.00 0.00 0.00 174.74 172.36 1srr s PHE 102 N -1.83 2.08 0.22 0.38 0.08 -0.06 -4.96 117.98 113.89 1srr s PHE 102 Ca -0.06 -0.66 0.01 0.00 0.12 0.00 0.00 56.93 56.33 1srr s PHE 102 Cb -0.07 -1.39 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 1srr s PHE 102 CO -0.01 -0.23 0.39 0.00 -0.10 0.00 0.00 175.22 175.27 1srr s ALA 103 N 0.07 3.84 0.00 5.36 0.00 -1.26 -1.38 121.76 128.40 1srr s ALA 103 Ca -0.07 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1srr s ALA 103 Cb -0.14 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1srr s ALA 103 CO 0.04 0.36 0.02 0.15 0.00 0.00 0.00 175.76 176.33 1srr s LYS 104 N -3.54 2.85 0.40 0.00 1.02 0.68 -3.51 119.74 117.64 1srr s LYS 104 Ca 0.38 -0.59 -0.26 0.00 0.02 0.00 0.00 55.97 55.51 1srr s LYS 104 Cb -0.11 -2.71 -0.09 0.00 -0.52 0.00 0.00 37.83 34.40 1srr s LYS 104 CO 0.30 0.63 1.31 -1.25 -0.92 0.00 0.00 175.35 175.42 1srr s PRO 105 N -1.64 4.01 1.11 -1.68 0.04 -1.26 0.18 135.00 135.76 1srr s PRO 105 Ca 0.21 2.18 -0.16 0.00 0.04 0.00 0.00 61.00 63.27 1srr s PRO 105 Cb -0.12 -2.80 0.15 0.00 0.04 0.00 0.00 34.50 31.77 1srr s PRO 105 CO 0.12 -0.46 0.37 1.19 0.04 0.00 0.00 177.00 178.25 1srr n PHE 106 N 0.21 -1.30 -3.53 0.56 3.01 -1.23 -4.95 117.46 110.22 1srr n PHE 106 Ca 0.03 0.08 -0.27 0.00 1.01 0.00 0.00 57.45 58.30 1srr n PHE 106 Cb 0.43 -1.64 -0.10 0.00 -0.01 0.00 0.00 39.48 38.15 1srr n PHE 106 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1srr n ASP 107 N -2.62 0.70 -0.33 4.37 -0.08 -1.26 -5.02 116.55 112.32 1srr n ASP 107 Ca 0.02 -2.67 0.30 0.00 -1.51 0.00 0.00 54.79 50.93 1srr n ASP 107 Cb 0.59 -0.62 0.52 0.00 2.34 0.00 0.00 41.12 43.95 1srr n ASP 107 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1srr n ILE 108 N 2.45 -0.26 0.07 5.18 2.08 -1.26 -0.53 119.36 127.08 1srr n ILE 108 Ca 0.27 1.54 -0.17 0.00 0.56 0.00 0.00 62.75 64.94 1srr n ILE 108 Cb 0.44 -2.52 -0.09 0.00 -0.75 0.00 0.00 39.64 36.73 1srr n ILE 108 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1srr h ASP 109 N 0.00 0.70 -0.05 4.38 3.32 -2.00 -3.20 116.42 119.57 1srr h ASP 109 Ca 0.70 -0.60 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1srr h ASP 109 Cb 2.10 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 41.44 1srr h ASP 109 CO -0.48 1.41 -0.01 -0.33 -1.72 0.00 0.00 179.24 178.11 1srr h GLU 110 N 0.27 0.10 -0.99 3.56 3.07 -1.25 -2.61 114.58 116.73 1srr h GLU 110 Ca -0.12 -0.04 0.16 0.00 -0.50 0.00 0.00 59.36 58.87 1srr h GLU 110 Cb 1.72 -0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 29.53 1srr h GLU 110 CO 0.20 0.42 0.62 0.82 -1.40 0.00 0.00 179.01 179.66 1srr h ILE 111 N -0.23 0.79 -0.34 3.13 2.04 -1.58 1.12 117.51 122.43 1srr h ILE 111 Ca 0.01 -0.28 -0.14 0.00 1.00 0.00 0.00 64.86 65.46 1srr h ILE 111 Cb 0.38 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1srr h ILE 111 CO 0.00 0.15 -0.32 0.03 0.00 0.00 0.00 178.15 178.02 1srr h ARG 112 N 0.81 0.82 0.26 2.37 3.08 -1.54 1.96 114.38 122.15 1srr h ARG 112 Ca 0.53 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1srr h ARG 112 Cb 0.77 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1srr h ARG 112 CO -0.31 1.06 -0.12 -0.44 -1.07 0.00 0.00 179.97 179.08 1srr h ASP 113 N 0.60 -0.29 0.00 7.04 3.32 -0.91 -0.88 116.42 125.30 1srr h ASP 113 Ca 0.06 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1srr h ASP 113 Cb 0.90 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.52 1srr h ASP 113 CO 0.08 0.03 -0.00 0.00 -1.72 0.00 0.00 179.24 177.63 1srr h ALA 114 N -0.00 -0.53 -1.52 3.45 0.00 0.14 0.12 119.26 120.93 1srr h ALA 114 Ca -0.04 -0.00 0.44 0.00 0.00 0.00 0.00 54.91 55.32 1srr h ALA 114 Cb 0.46 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1srr h ALA 114 CO 0.06 -0.53 1.12 0.28 0.00 0.00 0.00 179.25 180.18 1srr h VAL 115 N -0.00 0.21 -0.10 0.00 2.07 0.31 1.06 116.25 119.79 1srr h VAL 115 Ca 0.00 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 1srr h VAL 115 Cb 0.00 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1srr h VAL 115 CO -0.00 0.00 -0.54 0.11 0.02 0.00 0.00 177.57 177.16 1srr h LYS 116 N 0.00 0.30 0.36 1.57 1.57 0.63 1.13 116.57 122.13 1srr h LYS 116 Ca 0.72 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 59.30 1srr h LYS 116 Cb 2.95 0.02 0.00 0.00 0.08 0.00 0.00 32.23 35.28 1srr h LYS 116 CO -0.01 0.77 -0.17 -0.22 -0.57 0.00 0.00 179.45 179.25 1srr h LYS 117 N 0.23 -0.46 -0.12 3.15 3.64 0.31 -3.05 116.57 120.27 1srr h LYS 117 Ca 0.00 0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 1srr h LYS 117 Cb 1.03 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1srr h LYS 117 CO 0.09 -0.14 -0.54 1.88 -2.27 0.00 0.00 179.45 178.46 1srr h TYR 118 N -0.86 0.46 -2.04 1.91 -1.99 -1.37 -3.39 116.97 109.68 1srr h TYR 118 Ca -0.05 -0.16 -0.56 0.00 2.00 0.00 0.00 58.73 59.97 1srr h TYR 118 Cb 0.53 -0.09 -0.40 0.00 2.00 0.00 0.00 36.73 38.78 1srr h TYR 118 CO 0.02 0.83 -1.03 -0.11 -0.00 0.00 0.00 178.16 177.88 1srr n LEU 119 N -3.94 0.99 -4.69 3.88 7.94 0.39 -5.07 117.00 116.50 1srr n LEU 119 Ca -0.02 -4.89 -0.44 0.00 -1.11 0.00 0.00 56.01 49.54 1srr n LEU 119 Cb 0.58 0.40 -0.04 0.00 0.53 0.00 0.00 43.42 44.90 1srr n LEU 119 CO 0.45 2.11 1.36 -0.81 -1.11 0.00 0.00 177.39 179.39 1srr n PRO 120 N 1.09 2.53 -2.11 1.96 -0.05 -1.15 -4.62 135.00 132.66 1srr n PRO 120 Ca 0.23 0.92 -0.43 0.00 -0.05 0.00 0.00 63.50 64.17 1srr n PRO 120 Cb 0.53 -2.75 -0.02 0.00 -0.05 0.00 0.00 33.50 31.20 1srr n PRO 120 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 1srr s LEU 121 N 1.81 3.53 0.00 1.53 1.43 -1.26 -5.11 118.68 120.61 1srr s LEU 121 Ca 0.80 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 1srr s LEU 121 Cb -0.57 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.13 1srr s LEU 121 CO 0.37 -1.62 0.00 0.29 0.23 0.00 0.00 176.35 175.62