#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cye n GLY 3 N 0.00 0.45 3.14 8.31 0.00 -1.26 -5.06 105.19 110.76 2cye n GLY 3 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2cye n GLY 3 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cye s PHE 4 N -2.17 2.25 0.07 1.61 0.08 -1.26 -4.93 117.98 113.63 2cye s PHE 4 Ca 0.00 -0.99 0.26 0.00 0.12 0.00 0.00 56.93 56.32 2cye s PHE 4 Cb 0.00 -1.55 0.97 0.00 -0.57 0.00 0.00 43.02 41.86 2cye s PHE 4 CO 0.00 -0.45 1.84 -1.00 -0.10 0.00 0.00 175.22 175.51 2cye h PRO 5 N 7.04 0.00 -4.78 0.24 0.13 -1.91 -3.44 132.00 129.29 2cye h PRO 5 Ca -0.27 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.41 2cye h PRO 5 Cb 1.21 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.03 2cye h PRO 5 CO 0.49 0.15 -0.80 0.08 -0.23 0.00 0.00 178.00 177.70 2cye s VAL 6 N -3.59 0.92 -0.00 1.56 1.01 -1.24 -5.06 120.40 114.00 2cye s VAL 6 Ca 0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 2cye s VAL 6 Cb 0.09 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.69 2cye s VAL 6 CO 0.62 0.28 0.27 0.00 0.00 0.00 0.00 175.10 176.27 2cye s ARG 7 N 0.11 0.66 0.07 2.72 1.70 -1.26 -1.39 118.95 121.57 2cye s ARG 7 Ca -0.02 -0.30 0.01 0.00 -0.47 0.00 0.00 55.73 54.95 2cye s ARG 7 Cb -0.09 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 2cye s ARG 7 CO 0.01 -0.18 -0.06 0.14 -1.08 0.00 0.00 175.30 174.12 2cye s VAL 8 N -1.58 0.53 -0.00 4.99 -7.23 0.41 -4.95 120.40 112.57 2cye s VAL 8 Ca -0.12 -1.69 -0.01 0.00 -1.81 0.00 0.00 61.98 58.35 2cye s VAL 8 Cb -0.05 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 2cye s VAL 8 CO 0.02 -0.79 0.13 0.00 -0.31 0.00 0.00 175.10 174.16 2cye s ARG 9 N -3.30 3.25 -0.01 4.82 1.70 -1.26 -0.56 118.95 123.59 2cye s ARG 9 Ca 0.05 -0.41 0.05 0.00 -0.47 0.00 0.00 55.73 54.95 2cye s ARG 9 Cb 0.02 -2.97 -0.01 0.00 -0.57 0.00 0.00 34.95 31.41 2cye s ARG 9 CO -0.05 0.66 -0.16 0.08 -1.08 0.00 0.00 175.30 174.75 2cye s VAL 10 N -1.28 1.25 -0.22 4.99 1.01 -0.29 -4.97 120.40 120.89 2cye s VAL 10 Ca 0.26 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 2cye s VAL 10 Cb -0.12 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2cye s VAL 10 CO 0.17 0.35 0.08 -1.81 0.00 0.00 0.00 175.10 173.89 2cye s ASP 11 N -0.36 5.45 0.04 3.32 1.01 -1.26 -3.84 116.67 121.03 2cye s ASP 11 Ca 0.06 -0.06 -0.31 0.00 0.71 0.00 0.00 52.55 52.96 2cye s ASP 11 Cb -0.06 -1.96 -0.06 0.00 1.01 0.00 0.00 42.92 41.85 2cye s ASP 11 CO -0.01 0.06 1.33 -0.69 0.21 0.00 0.00 175.17 176.07 2cye s VAL 12 N 1.06 3.73 0.18 -1.27 1.01 -1.26 -5.02 120.40 118.84 2cye s VAL 12 Ca 0.05 1.19 0.04 0.00 0.00 0.00 0.00 61.98 63.25 2cye s VAL 12 Cb -0.14 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2cye s VAL 12 CO 0.03 0.05 0.27 -0.13 0.00 0.00 0.00 175.10 175.32 2cye s ARG 13 N 1.69 3.31 0.30 2.72 0.52 -1.26 -4.64 118.95 121.58 2cye s ARG 13 Ca 0.62 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 55.09 2cye s ARG 13 Cb -0.32 -2.86 0.45 0.00 0.52 0.00 0.00 34.95 32.74 2cye s ARG 13 CO 0.28 0.48 1.93 0.35 0.02 0.00 0.00 175.30 178.36 2cye h PHE 14 N 1.87 0.97 0.00 -0.53 3.04 -2.00 -1.24 116.94 119.05 2cye h PHE 14 Ca -0.49 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.45 2cye h PHE 14 Cb 1.21 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 39.40 2cye h PHE 14 CO 0.52 0.66 -0.02 -0.09 -2.02 0.00 0.00 178.31 177.36 2cye h ARG 15 N 1.01 0.00 0.00 1.11 9.65 -2.02 -2.43 114.38 121.70 2cye h ARG 15 Ca 0.26 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.14 2cye h ARG 15 Cb -0.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 2cye h ARG 15 CO -0.05 0.02 0.00 -0.25 2.80 0.00 0.00 179.97 182.50 2cye n ASP 16 N -3.27 0.30 -4.84 -3.80 8.00 -0.47 -4.92 116.55 107.56 2cye n ASP 16 Ca -0.02 0.54 -0.35 0.00 0.71 0.00 0.00 54.79 55.67 2cye n ASP 16 Cb 0.15 -0.62 -0.06 0.00 -0.02 0.00 0.00 41.12 40.57 2cye n ASP 16 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2cye s LEU 17 N -3.60 4.32 0.70 0.64 1.43 -0.92 -0.86 118.68 120.39 2cye s LEU 17 Ca 0.10 1.17 -0.11 0.00 -1.03 0.00 0.00 54.13 54.26 2cye s LEU 17 Cb 0.14 -3.41 0.01 0.00 0.03 0.00 0.00 46.19 42.96 2cye s LEU 17 CO 0.48 0.06 1.08 -1.81 0.23 0.00 0.00 176.35 176.39 2cye s ASP 18 N -1.75 5.50 0.40 2.29 1.01 0.82 -4.79 116.67 120.14 2cye s ASP 18 Ca 0.40 1.26 0.18 0.00 0.71 0.00 0.00 52.55 55.11 2cye s ASP 18 Cb -0.15 -2.12 1.09 0.00 1.01 0.00 0.00 42.92 42.75 2cye s ASP 18 CO 0.20 -1.32 1.78 -0.65 0.21 0.00 0.00 175.17 175.39 2cye h PRO 19 N -0.64 0.40 0.00 8.23 0.11 -1.98 0.14 132.00 138.25 2cye h PRO 19 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2cye h PRO 19 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2cye h PRO 19 CO 0.62 0.26 0.00 1.28 -0.21 0.00 0.00 178.00 179.95 2cye n LEU 20 N -4.62 0.00 0.00 2.35 4.77 -1.26 -4.88 117.00 113.36 2cye n LEU 20 Ca 0.25 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 2cye n LEU 20 Cb 0.85 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2cye n LEU 20 CO 0.26 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 2cye n GLY 21 N 0.03 0.95 3.49 -0.72 0.00 0.04 -5.10 105.19 103.88 2cye n GLY 21 Ca 0.06 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2cye n GLY 21 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2cye s HIS 22 N -2.00 2.32 0.29 1.61 -3.43 -1.25 -4.32 115.29 108.50 2cye s HIS 22 Ca 0.00 -0.39 -0.29 0.00 -0.80 0.00 0.00 55.06 53.58 2cye s HIS 22 Cb 0.00 -1.12 -0.10 0.00 -1.43 0.00 0.00 32.58 29.93 2cye s HIS 22 CO 0.00 0.67 1.44 0.08 -2.00 0.00 0.00 174.74 174.93 2cye s VAL 23 N -2.55 2.51 0.43 -5.38 1.01 0.37 -0.13 120.40 116.66 2cye s VAL 23 Ca 0.31 0.45 -0.25 0.00 0.00 0.00 0.00 61.98 62.49 2cye s VAL 23 Cb -0.02 -3.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.99 2cye s VAL 23 CO 0.15 0.08 1.26 0.21 0.00 0.00 0.00 175.10 176.81 2cye s ASN 24 N 0.14 6.21 0.31 3.32 3.84 -0.04 -4.73 114.94 123.99 2cye s ASN 24 Ca 0.57 2.55 0.05 0.00 0.21 0.00 0.00 52.86 56.23 2cye s ASN 24 Cb -0.43 -2.63 0.68 0.00 -0.55 0.00 0.00 41.25 38.33 2cye s ASN 24 CO 0.49 -0.91 1.82 -0.55 -2.79 0.00 0.00 177.10 175.16 2cye h ASN 25 N 2.43 0.82 0.35 -4.21 7.08 -1.93 -1.79 115.58 118.33 2cye h ASN 25 Ca -0.50 0.07 -0.17 0.00 -3.08 0.00 0.00 56.30 52.62 2cye h ASN 25 Cb 1.25 -0.09 -0.01 0.00 -2.08 0.00 0.00 38.32 37.39 2cye h ASN 25 CO 0.62 0.37 -0.71 0.00 -2.08 0.00 0.00 177.43 175.63 2cye h ALA 26 N 1.59 0.68 -0.20 4.14 0.00 -1.97 -3.17 119.26 120.33 2cye h ALA 26 Ca 0.53 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2cye h ALA 26 Cb 0.72 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2cye h ALA 26 CO -0.30 0.78 0.13 0.28 0.00 0.00 0.00 179.25 180.13 2cye h VAL 27 N 0.21 1.05 -0.95 0.00 2.07 -1.67 -1.28 116.25 115.68 2cye h VAL 27 Ca -0.02 -0.10 0.13 0.00 0.82 0.00 0.00 66.70 67.53 2cye h VAL 27 Cb 1.27 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 2cye h VAL 27 CO 0.11 0.05 0.60 -0.26 0.02 0.00 0.00 177.57 178.10 2cye h PHE 28 N 0.27 0.99 0.00 1.57 0.04 -1.50 0.94 116.94 119.25 2cye h PHE 28 Ca 0.07 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 2cye h PHE 28 Cb -0.03 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.80 2cye h PHE 28 CO 0.00 0.38 -0.27 -0.07 -0.60 0.00 0.00 178.31 177.75 2cye h LEU 29 N 0.85 0.00 -0.44 1.54 4.07 -1.38 -2.31 115.31 117.63 2cye h LEU 29 Ca 0.47 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 58.26 2cye h LEU 29 Cb 0.60 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 2cye h LEU 29 CO -0.24 0.27 -0.75 0.28 -1.08 0.00 0.00 178.44 176.92 2cye h SER 30 N 0.00 0.31 0.00 -0.43 0.02 -0.85 -0.59 113.55 112.02 2cye h SER 30 Ca -0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2cye h SER 30 Cb 0.63 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2cye h SER 30 CO 0.04 0.95 0.00 -1.22 -1.14 0.00 0.00 176.83 175.46 2cye n TYR 31 N -3.78 0.00 0.00 3.45 4.02 -0.69 -2.32 117.16 117.85 2cye n TYR 31 Ca -0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 2cye n TYR 31 Cb 0.72 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.98 2cye n TYR 31 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2cye n GLU 33 N 0.43 0.00 -0.31 -0.72 2.13 -0.23 -3.42 120.64 118.51 2cye n GLU 33 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 2cye n GLU 33 Cb 0.10 0.00 0.16 0.00 0.27 0.00 0.00 31.44 31.97 2cye n GLU 33 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2cye h LEU 34 N 0.00 0.82 -0.34 4.31 5.85 -1.74 0.24 115.31 124.46 2cye h LEU 34 Ca 0.00 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2cye h LEU 34 Cb 0.00 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 2cye h LEU 34 CO 0.00 0.50 0.01 0.00 -0.34 0.00 0.00 178.44 178.62 2cye h ALA 35 N 1.43 0.45 -0.81 1.25 0.00 -1.86 -2.22 119.26 117.50 2cye h ALA 35 Ca 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2cye h ALA 35 Cb 0.25 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2cye h ALA 35 CO -0.20 0.20 0.45 -0.09 0.00 0.00 0.00 179.25 179.61 2cye h ARG 36 N 0.40 1.12 -0.26 0.00 2.43 -1.61 -0.30 114.38 116.17 2cye h ARG 36 Ca 0.10 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 2cye h ARG 36 Cb 0.43 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2cye h ARG 36 CO 0.02 0.81 -0.37 0.82 -1.51 0.00 0.00 179.97 179.74 2cye h ILE 37 N 1.13 1.29 -0.33 1.20 1.08 -0.45 0.10 117.51 121.53 2cye h ILE 37 Ca 0.29 -1.51 -0.12 0.00 -0.39 0.00 0.00 64.86 63.13 2cye h ILE 37 Cb 0.01 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 2cye h ILE 37 CO -0.05 0.48 -0.27 0.03 -0.69 0.00 0.00 178.15 177.66 2cye h ARG 38 N 0.49 0.68 -0.62 2.37 2.47 -0.96 -0.01 114.38 118.79 2cye h ARG 38 Ca 0.05 -0.28 -0.10 0.00 -1.26 0.00 0.00 59.98 58.39 2cye h ARG 38 Cb 0.86 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.14 2cye h ARG 38 CO 0.07 0.87 0.02 -0.92 0.56 0.00 0.00 179.97 180.57 2cye h TYR 39 N 0.59 1.18 -0.21 3.04 5.03 -0.61 -2.86 116.97 123.12 2cye h TYR 39 Ca 0.08 -0.20 -0.12 0.00 2.58 0.00 0.00 58.73 61.07 2cye h TYR 39 Cb 0.76 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 2cye h TYR 39 CO 0.03 1.03 -0.36 0.74 -1.32 0.00 0.00 178.16 178.28 2cye h PHE 40 N 1.00 0.54 0.00 -3.82 0.04 -0.35 -2.49 116.94 111.86 2cye h PHE 40 Ca 0.18 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2cye h PHE 40 Cb 0.55 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.57 2cye h PHE 40 CO 0.04 0.77 0.23 1.96 -0.60 0.00 0.00 178.31 180.71 2cye h GLN 41 N 0.40 0.00 -2.03 1.51 4.20 -0.77 0.44 115.11 118.86 2cye h GLN 41 Ca 0.04 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 2cye h GLN 41 Cb 0.82 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 2cye h GLN 41 CO 0.07 0.00 -0.14 0.54 -0.67 0.00 0.00 178.83 178.63 2cye n ARG 42 N -2.93 1.33 0.00 1.46 5.12 -0.94 -5.03 116.66 115.68 2cye n ARG 42 Ca -0.02 -0.40 0.00 0.00 -1.93 0.00 0.00 57.85 55.50 2cye n ARG 42 Cb 0.28 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 2cye n ARG 42 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 2cye n ILE 43 N 1.96 0.00 -3.07 0.55 0.13 0.15 -4.96 119.36 114.12 2cye n ILE 43 Ca 0.17 0.00 -0.18 0.00 -1.10 0.00 0.00 62.75 61.64 2cye n ILE 43 Cb 0.63 0.00 0.01 0.00 -0.84 0.00 0.00 39.64 39.45 2cye n ILE 43 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 2cye s ASP 46 N -1.93 5.70 0.45 9.51 2.15 -1.26 -4.96 116.67 126.33 2cye s ASP 46 Ca 0.00 -0.26 0.20 0.00 0.43 0.00 0.00 52.55 52.92 2cye s ASP 46 Cb 0.00 -0.89 1.08 0.00 -0.30 0.00 0.00 42.92 42.81 2cye s ASP 46 CO 0.00 -0.73 1.96 4.11 -0.17 0.00 0.00 175.17 180.34 2cye h TRP 47 N 0.61 0.00 0.00 -5.34 5.08 -1.93 0.50 115.95 114.86 2cye h TRP 47 Ca -0.42 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.52 2cye h TRP 47 Cb 1.27 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.43 2cye h TRP 47 CO 0.41 0.22 -0.14 -0.07 -1.28 0.00 0.00 178.44 177.57 2cye h LEU 48 N 0.00 0.00 -3.12 0.11 3.38 -2.01 0.13 115.31 113.80 2cye h LEU 48 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2cye h LEU 48 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2cye h LEU 48 CO 0.03 0.14 0.00 -0.62 0.09 0.00 0.00 178.44 178.08 2cye n GLU 49 N -3.85 4.23 -3.02 1.13 1.02 -0.89 -4.88 120.64 114.37 2cye n GLU 49 Ca -0.02 -2.64 -0.22 0.00 -0.02 0.00 0.00 57.16 54.26 2cye n GLU 49 Cb 0.24 -2.13 0.02 0.00 -0.02 0.00 0.00 31.44 29.55 2cye n GLU 49 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2cye n GLU 50 N 0.55 -4.14 -1.76 3.49 1.02 0.47 -0.95 120.64 119.32 2cye n GLU 50 Ca 0.23 0.80 -0.20 0.00 -0.02 0.00 0.00 57.16 57.97 2cye n GLU 50 Cb 1.03 -5.59 -0.07 0.00 -0.02 0.00 0.00 31.44 26.79 2cye n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cye n GLY 51 N -1.36 1.36 2.26 0.62 0.00 0.12 -1.20 105.19 106.99 2cye n GLY 51 Ca -0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 2cye n GLY 51 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2cye n HIS 52 N -2.79 0.00 -4.02 1.61 8.25 -0.13 -4.85 115.22 113.29 2cye n HIS 52 Ca -0.21 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.92 2cye n HIS 52 Cb 0.66 -0.97 -0.06 0.00 1.12 0.00 0.00 29.99 30.74 2cye n HIS 52 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2cye s PHE 53 N -1.92 3.39 0.13 4.41 0.40 -0.34 -0.62 117.98 123.43 2cye s PHE 53 Ca 0.00 0.27 0.09 0.00 -0.60 0.00 0.00 56.93 56.69 2cye s PHE 53 Cb 0.00 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 2cye s PHE 53 CO 0.00 0.59 -0.22 0.14 0.70 0.00 0.00 175.22 176.43 2cye s VAL 54 N -1.24 1.90 -0.23 -0.44 -7.23 -0.43 -4.71 120.40 108.02 2cye s VAL 54 Ca 0.24 -1.71 -0.29 0.00 -1.81 0.00 0.00 61.98 58.41 2cye s VAL 54 Cb -0.12 -1.76 0.01 0.00 0.56 0.00 0.00 36.38 35.07 2cye s VAL 54 CO 0.15 -0.09 1.06 -0.69 -0.31 0.00 0.00 175.10 175.22 2cye s VAL 55 N -1.38 4.64 -0.15 1.32 1.01 -1.26 -0.89 120.40 123.68 2cye s VAL 55 Ca 0.11 1.98 0.17 0.00 0.00 0.00 0.00 61.98 64.24 2cye s VAL 55 Cb -0.09 -4.29 -0.25 0.00 0.00 0.00 0.00 36.38 31.76 2cye s VAL 55 CO 0.06 -0.19 0.27 0.00 0.00 0.00 0.00 175.10 175.23 2cye n ALA 56 N 6.37 1.61 -3.40 5.51 0.00 0.29 -4.95 120.51 125.93 2cye n ALA 56 Ca 0.12 -1.12 -0.02 0.00 0.00 0.00 0.00 53.44 52.43 2cye n ALA 56 Cb 0.46 -0.41 0.01 0.00 0.00 0.00 0.00 19.45 19.51 2cye n ALA 56 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2cye n ARG 57 N -2.79 0.50 -3.19 0.00 0.63 -1.11 -4.97 116.66 105.73 2cye n ARG 57 Ca -0.26 -1.12 0.05 0.00 -0.92 0.00 0.00 57.85 55.59 2cye n ARG 57 Cb 1.08 1.33 -0.03 0.00 0.45 0.00 0.00 32.46 35.29 2cye n ARG 57 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2cye s GLU 59 N -2.11 0.13 -0.10 -0.14 2.02 -0.16 -0.78 118.70 117.56 2cye s GLU 59 Ca 0.09 0.27 0.04 0.00 0.02 0.00 0.00 54.97 55.39 2cye s GLU 59 Cb -0.02 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.37 2cye s GLU 59 CO 0.07 -0.11 -0.22 0.08 0.02 0.00 0.00 175.26 175.10 2cye s VAL 60 N 2.70 1.89 -0.24 2.63 1.01 -1.26 -0.64 120.40 126.49 2cye s VAL 60 Ca -0.03 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 2cye s VAL 60 Cb -0.07 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 2cye s VAL 60 CO -0.12 0.52 0.05 -1.81 0.00 0.00 0.00 175.10 173.74 2cye s ASP 61 N 0.43 5.06 -0.48 3.32 1.01 -0.04 -4.98 116.67 120.99 2cye s ASP 61 Ca -0.18 -0.20 -0.18 0.00 0.71 0.00 0.00 52.55 52.71 2cye s ASP 61 Cb -0.17 -1.90 0.06 0.00 1.01 0.00 0.00 42.92 41.91 2cye s ASP 61 CO 0.07 -0.01 0.53 -0.31 0.21 0.00 0.00 175.17 175.66 2cye s TYR 62 N 1.45 3.13 -0.11 4.23 2.02 -1.26 -1.39 117.35 125.41 2cye s TYR 62 Ca 0.05 -0.62 -0.05 0.00 -0.37 0.00 0.00 57.07 56.08 2cye s TYR 62 Cb -0.15 -3.32 -0.26 0.00 -0.40 0.00 0.00 41.96 37.83 2cye s TYR 62 CO 0.03 -0.91 0.40 1.28 -1.57 0.00 0.00 175.55 174.78 2cye n LEU 63 N 5.79 2.50 -3.86 -1.29 4.77 0.86 -4.96 117.00 120.81 2cye n LEU 63 Ca -0.08 0.23 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 2cye n LEU 63 Cb 0.45 -1.02 -0.12 0.00 -2.33 0.00 0.00 43.42 40.40 2cye n LEU 63 CO 0.51 0.82 -0.27 -0.60 -1.33 0.00 0.00 177.39 176.52 2cye s ARG 64 N -2.56 0.17 0.50 3.23 6.06 -0.51 -4.99 118.95 120.86 2cye s ARG 64 Ca -0.21 -0.03 -0.21 0.00 -2.50 0.00 0.00 55.73 52.78 2cye s ARG 64 Cb 0.07 0.08 -0.07 0.00 0.06 0.00 0.00 34.95 35.08 2cye s ARG 64 CO 0.78 -0.03 1.12 -1.25 -2.50 0.00 0.00 175.30 173.41 2cye s PRO 65 N -0.31 3.58 -0.14 5.12 0.04 -1.26 -4.74 135.00 137.29 2cye s PRO 65 Ca -0.04 1.60 -0.03 0.00 0.04 0.00 0.00 61.00 62.58 2cye s PRO 65 Cb -0.03 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2cye s PRO 65 CO 0.00 -0.66 -0.03 0.42 0.04 0.00 0.00 177.00 176.77 2cye s ILE 66 N -1.74 4.02 0.27 0.56 -1.09 -1.26 -4.99 121.20 116.97 2cye s ILE 66 Ca 0.69 -0.33 0.09 0.00 -2.23 0.00 0.00 60.65 58.87 2cye s ILE 66 Cb -0.24 -2.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 2cye s ILE 66 CO 0.28 0.52 0.03 -0.76 -1.23 0.00 0.00 174.94 173.78 2cye s LEU 67 N 0.01 3.26 0.33 2.97 1.43 -1.26 -0.48 118.68 124.93 2cye s LEU 67 Ca 0.01 -0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 52.20 2cye s LEU 67 Cb -0.13 -1.77 -0.11 0.00 0.03 0.00 0.00 46.19 44.20 2cye s LEU 67 CO 0.02 -0.03 1.56 -0.22 0.23 0.00 0.00 176.35 177.91 2cye s LEU 68 N -3.71 4.33 0.00 1.79 2.96 -1.26 -1.79 118.68 121.00 2cye s LEU 68 Ca 0.32 3.00 0.00 0.00 -0.22 0.00 0.00 54.13 57.23 2cye s LEU 68 Cb -0.06 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.98 2cye s LEU 68 CO 0.21 -0.91 0.00 0.61 -1.32 0.00 0.00 176.35 174.94 2cye n GLY 69 N 1.52 1.97 3.77 7.98 0.00 -1.26 -5.04 105.19 114.12 2cye n GLY 69 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2cye n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cye s ASP 70 N -1.85 6.23 -0.36 1.61 1.01 -0.74 -4.96 116.67 117.61 2cye s ASP 70 Ca 0.00 2.58 -0.26 0.00 0.71 0.00 0.00 52.55 55.58 2cye s ASP 70 Cb 0.00 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.31 2cye s ASP 70 CO 0.00 -0.90 0.95 -0.70 0.21 0.00 0.00 175.17 174.73 2cye s GLU 71 N -2.36 3.88 -0.09 8.23 2.12 -1.26 -4.64 118.70 124.58 2cye s GLU 71 Ca 0.59 0.66 0.01 0.00 0.36 0.00 0.00 54.97 56.59 2cye s GLU 71 Cb -0.36 -3.79 -0.02 0.00 0.26 0.00 0.00 34.13 30.22 2cye s GLU 71 CO 0.46 -0.93 -0.13 0.08 -0.54 0.00 0.00 175.26 174.19 2cye s VAL 72 N 3.49 3.07 0.07 3.70 1.01 -1.25 -0.39 120.40 130.10 2cye s VAL 72 Ca 0.39 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.74 2cye s VAL 72 Cb -0.12 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2cye s VAL 72 CO 0.18 0.55 -0.15 -0.36 0.00 0.00 0.00 175.10 175.33 2cye s PHE 73 N -0.13 1.25 -0.05 5.22 0.08 -0.83 -1.14 117.98 122.38 2cye s PHE 73 Ca -0.01 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.59 2cye s PHE 73 Cb -0.14 -0.70 0.02 0.00 -0.57 0.00 0.00 43.02 41.63 2cye s PHE 73 CO 0.03 0.07 -0.02 0.08 -0.10 0.00 0.00 175.22 175.28 2cye s VAL 74 N -1.26 0.42 0.17 -0.44 1.01 0.27 -0.85 120.40 119.72 2cye s VAL 74 Ca -0.01 -0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.04 2cye s VAL 74 Cb -0.10 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2cye s VAL 74 CO 0.02 0.22 -0.18 -0.83 0.00 0.00 0.00 175.10 174.33 2cye s GLY 75 N 1.17 1.70 0.03 4.51 0.00 -0.37 -0.45 107.32 113.92 2cye s GLY 75 Ca -0.07 -1.50 -0.02 0.00 0.00 0.00 0.00 44.72 43.12 2cye s GLY 75 CO -0.01 -1.51 0.02 0.54 0.00 0.00 0.00 173.10 172.14 2cye s VAL 76 N -1.51 0.13 -0.03 1.40 0.11 -0.48 -1.17 120.40 118.85 2cye s VAL 76 Ca 0.21 -1.09 -0.30 0.00 -2.93 0.00 0.00 61.98 57.87 2cye s VAL 76 Cb -0.09 -0.66 0.08 0.00 -1.53 0.00 0.00 36.38 34.18 2cye s VAL 76 CO 0.11 -0.60 0.70 0.00 -3.33 0.00 0.00 175.10 171.98 2cye s ARG 77 N -2.17 1.05 -0.05 1.54 1.70 -0.73 -3.66 118.95 116.63 2cye s ARG 77 Ca -0.09 0.13 -0.22 0.00 -0.47 0.00 0.00 55.73 55.08 2cye s ARG 77 Cb -0.04 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 2cye s ARG 77 CO -0.03 -0.35 0.65 0.99 -1.08 0.00 0.00 175.30 175.48 2cye s THR 78 N -1.61 5.00 -0.54 4.99 2.01 -1.26 -0.34 115.64 123.90 2cye s THR 78 Ca -0.08 1.35 0.08 0.00 0.31 0.00 0.00 61.69 63.34 2cye s THR 78 Cb -0.00 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 2cye s THR 78 CO 0.05 0.31 0.44 1.33 -0.69 0.00 0.00 174.62 176.06 2cye n VAL 79 N 3.42 0.00 -3.62 3.82 0.24 0.99 -4.92 118.33 118.26 2cye n VAL 79 Ca -0.03 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.34 61.77 2cye n VAL 79 Cb 0.51 1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 33.86 2cye n VAL 79 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2cye s GLY 80 N -1.48 -0.43 -0.20 7.63 0.00 -1.06 -4.98 107.32 106.81 2cye s GLY 80 Ca 0.05 2.14 -0.04 0.00 0.00 0.00 0.00 44.72 46.87 2cye s GLY 80 CO 0.27 1.67 -0.02 1.08 0.00 0.00 0.00 173.10 176.10 2cye s LEU 81 N 0.14 3.14 0.00 0.66 1.43 -1.26 -1.16 118.68 121.63 2cye s LEU 81 Ca -0.00 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 2cye s LEU 81 Cb -0.04 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.39 2cye s LEU 81 CO -0.00 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.25 2cye n GLY 82 N 4.26 2.82 0.06 -3.19 0.00 0.18 -5.00 105.19 104.33 2cye n GLY 82 Ca -0.17 -2.01 -0.05 0.00 0.00 0.00 0.00 46.02 43.79 2cye n GLY 82 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2cye h ARG 83 N 0.00 0.00 -0.06 1.61 2.43 -1.98 -3.40 114.38 112.97 2cye h ARG 83 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2cye h ARG 83 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2cye h ARG 83 CO 0.00 0.26 0.00 -1.13 -1.51 0.00 0.00 179.97 177.59 2cye n SER 84 N -4.69 1.80 -4.44 -3.80 3.41 -1.26 0.51 113.62 105.15 2cye n SER 84 Ca -0.05 -1.53 -0.22 0.00 -0.26 0.00 0.00 58.87 56.81 2cye n SER 84 Cb 0.19 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 63.99 2cye n SER 84 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cye s SER 85 N -0.64 3.01 0.03 4.04 1.04 -1.26 0.78 113.70 120.69 2cye s SER 85 Ca 0.07 -1.14 0.04 0.00 0.48 0.00 0.00 55.95 55.41 2cye s SER 85 Cb 0.04 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 2cye s SER 85 CO 0.06 -0.23 -0.13 -0.76 0.98 0.00 0.00 173.24 173.16 2cye s LEU 86 N -3.46 2.14 0.33 2.42 1.43 0.45 0.50 118.68 122.50 2cye s LEU 86 Ca 0.29 -0.40 0.09 0.00 -1.03 0.00 0.00 54.13 53.07 2cye s LEU 86 Cb 0.01 -0.55 -0.05 0.00 0.03 0.00 0.00 46.19 45.64 2cye s LEU 86 CO 0.12 0.03 0.05 -0.13 0.23 0.00 0.00 176.35 176.65 2cye s ARG 87 N -0.97 2.19 -0.19 1.70 0.52 -0.31 -0.68 118.95 121.21 2cye s ARG 87 Ca 0.01 -1.64 -0.14 0.00 -0.52 0.00 0.00 55.73 53.44 2cye s ARG 87 Cb -0.07 -2.03 0.05 0.00 0.52 0.00 0.00 34.95 33.42 2cye s ARG 87 CO 0.01 0.16 0.48 -1.21 0.02 0.00 0.00 175.30 174.76 2cye s GLU 89 N -3.75 0.52 -0.01 3.54 2.02 0.53 -0.01 118.70 121.54 2cye s GLU 89 Ca 0.35 0.76 0.07 0.00 0.02 0.00 0.00 54.97 56.17 2cye s GLU 89 Cb -0.02 0.16 -0.02 0.00 0.10 0.00 0.00 34.13 34.36 2cye s GLU 89 CO 0.20 -0.11 -0.23 -1.01 0.02 0.00 0.00 175.26 174.14 2cye s HIS 90 N 0.77 2.03 -0.10 1.61 3.76 0.14 -1.78 115.29 121.72 2cye s HIS 90 Ca -0.04 -0.38 -0.01 0.00 -0.15 0.00 0.00 55.06 54.47 2cye s HIS 90 Cb -0.05 -1.30 0.03 0.00 1.11 0.00 0.00 32.58 32.37 2cye s HIS 90 CO -0.06 -0.03 -0.02 -1.17 -0.85 0.00 0.00 174.74 172.62 2cye s LEU 91 N -0.57 0.85 -0.21 0.89 2.96 -0.32 -0.97 118.68 121.31 2cye s LEU 91 Ca 0.09 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 2cye s LEU 91 Cb -0.09 -0.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.97 2cye s LEU 91 CO -0.01 -0.18 0.08 -0.69 -1.32 0.00 0.00 176.35 174.23 2cye s VAL 92 N 1.87 4.71 0.06 1.68 1.01 -0.40 -1.23 120.40 128.10 2cye s VAL 92 Ca 0.04 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.04 2cye s VAL 92 Cb -0.13 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2cye s VAL 92 CO -0.06 0.41 -0.14 0.42 0.00 0.00 0.00 175.10 175.73 2cye s THR 93 N 0.81 3.10 -0.13 3.92 -4.23 -0.03 -0.44 115.64 118.64 2cye s THR 93 Ca 0.04 -1.18 -0.01 0.00 -1.18 0.00 0.00 61.69 59.37 2cye s THR 93 Cb -0.13 -2.37 0.03 0.00 1.34 0.00 0.00 72.50 71.37 2cye s THR 93 CO 0.02 0.26 -0.05 0.00 -0.54 0.00 0.00 174.62 174.31 2cye s ALA 94 N -1.04 1.26 -1.52 3.99 0.00 0.66 -1.97 121.76 123.13 2cye s ALA 94 Ca 0.17 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 2cye s ALA 94 Cb -0.11 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.05 2cye s ALA 94 CO 0.09 -0.61 0.66 0.09 0.00 0.00 0.00 175.76 175.99 2cye n ASN 95 N 4.96 -5.95 0.00 0.00 5.03 0.47 -1.78 115.26 117.99 2cye n ASN 95 Ca -0.11 -0.33 0.00 0.00 0.87 0.00 0.00 54.58 55.01 2cye n ASN 95 Cb 0.49 -4.80 0.00 0.00 -1.02 0.00 0.00 39.78 34.45 2cye n ASN 95 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2cye n GLY 96 N -1.55 0.53 3.45 7.41 0.00 -1.26 -5.03 105.19 108.74 2cye n GLY 96 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2cye n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cye s GLU 97 N -0.17 1.89 -0.18 1.61 0.41 -0.73 -5.08 118.70 116.44 2cye s GLU 97 Ca 0.00 -1.09 -0.29 0.00 -0.41 0.00 0.00 54.97 53.18 2cye s GLU 97 Cb 0.00 -2.12 -0.04 0.00 -1.78 0.00 0.00 34.13 30.19 2cye s GLU 97 CO 0.00 0.51 1.71 -1.12 -0.49 0.00 0.00 175.26 175.87 2cye s SER 98 N -1.72 6.31 -0.16 -0.19 0.01 -1.26 -0.25 113.70 116.44 2cye s SER 98 Ca 0.15 1.79 0.11 0.00 1.31 0.00 0.00 55.95 59.31 2cye s SER 98 Cb -0.10 -2.53 -0.23 0.00 0.21 0.00 0.00 66.02 63.36 2cye s SER 98 CO 0.07 -1.29 0.20 0.00 0.41 0.00 0.00 173.24 172.63 2cye n ALA 99 N 8.60 1.42 -3.58 1.44 0.00 0.42 -4.23 120.51 124.58 2cye n ALA 99 Ca 0.20 -1.06 -0.13 0.00 0.00 0.00 0.00 53.44 52.45 2cye n ALA 99 Cb 0.45 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 2cye n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cye s ALA 100 N -2.53 -1.88 -0.06 0.00 0.00 -1.07 -0.10 121.76 116.12 2cye s ALA 100 Ca -0.15 1.60 0.04 0.00 0.00 0.00 0.00 51.96 53.46 2cye s ALA 100 Cb 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.52 2cye s ALA 100 CO 0.78 -0.32 -0.18 0.15 0.00 0.00 0.00 175.76 176.19 2cye s LYS 101 N -0.74 2.08 -0.08 0.00 1.02 -0.49 -1.28 119.74 120.25 2cye s LYS 101 Ca -0.03 -0.64 0.02 0.00 0.02 0.00 0.00 55.97 55.33 2cye s LYS 101 Cb -0.02 -1.72 0.01 0.00 -0.52 0.00 0.00 37.83 35.59 2cye s LYS 101 CO 0.03 0.19 -0.13 0.20 -0.92 0.00 0.00 175.35 174.72 2cye s GLY 102 N 0.23 0.89 -0.24 -3.33 0.00 -0.14 -0.86 107.32 103.87 2cye s GLY 102 Ca -0.09 -0.54 -0.05 0.00 0.00 0.00 0.00 44.72 44.03 2cye s GLY 102 CO 0.04 0.19 0.01 -2.27 0.00 0.00 0.00 173.10 171.07 2cye s LEU 103 N 0.83 3.21 0.18 0.66 1.98 0.19 0.29 118.68 126.02 2cye s LEU 103 Ca -0.11 -0.38 0.10 0.00 -2.89 0.00 0.00 54.13 50.86 2cye s LEU 103 Cb -0.15 -1.82 -0.04 0.00 0.66 0.00 0.00 46.19 44.83 2cye s LEU 103 CO 0.02 -0.05 -0.18 -0.83 -1.89 0.00 0.00 176.35 173.42 2cye s GLY 104 N 1.53 1.71 -0.18 7.98 0.00 -1.26 -0.99 107.32 116.11 2cye s GLY 104 Ca 0.05 -1.54 0.01 0.00 0.00 0.00 0.00 44.72 43.24 2cye s GLY 104 CO -0.00 -1.56 -0.19 0.14 0.00 0.00 0.00 173.10 171.48 2cye s VAL 105 N -1.61 2.02 -0.07 1.40 1.01 0.03 -4.19 120.40 118.99 2cye s VAL 105 Ca 0.22 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.29 2cye s VAL 105 Cb -0.09 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2cye s VAL 105 CO 0.12 0.52 -0.15 -0.76 0.00 0.00 0.00 175.10 174.83 2cye s LEU 106 N 1.30 2.69 -0.13 3.92 1.02 0.14 -0.55 118.68 127.08 2cye s LEU 106 Ca 0.05 -0.25 0.00 0.00 0.02 0.00 0.00 54.13 53.95 2cye s LEU 106 Cb -0.13 -1.56 -0.01 0.00 0.02 0.00 0.00 46.19 44.51 2cye s LEU 106 CO -0.13 0.29 -0.14 -0.69 0.02 0.00 0.00 176.35 175.70 2cye s VAL 107 N -0.41 2.92 -0.02 -1.59 1.01 -0.07 -0.41 120.40 121.82 2cye s VAL 107 Ca 0.05 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 2cye s VAL 107 Cb -0.12 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2cye s VAL 107 CO 0.02 0.53 1.16 0.86 0.00 0.00 0.00 175.10 177.67 2cye s TRP 108 N 0.38 3.34 0.02 5.22 -0.11 0.23 -1.32 118.94 126.70 2cye s TRP 108 Ca -0.12 1.32 0.05 0.00 1.22 0.00 0.00 56.10 58.58 2cye s TRP 108 Cb -0.16 -3.37 -0.03 0.00 -1.50 0.00 0.00 33.47 28.41 2cye s TRP 108 CO 0.06 -1.07 -0.13 -0.51 -4.62 0.00 0.00 176.95 170.68 2cye s LEU 109 N 1.74 2.87 -0.13 5.86 1.43 0.21 -1.60 118.68 129.06 2cye s LEU 109 Ca 0.56 -0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 53.33 2cye s LEU 109 Cb -0.25 -1.66 0.05 0.00 0.03 0.00 0.00 46.19 44.36 2cye s LEU 109 CO 0.24 0.27 0.07 -1.61 0.23 0.00 0.00 176.35 175.55 2cye s GLU 110 N -1.40 0.12 -0.71 1.70 2.02 0.76 -4.75 118.70 116.44 2cye s GLU 110 Ca 0.16 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.17 2cye s GLU 110 Cb -0.11 -1.43 0.00 0.00 0.10 0.00 0.00 34.13 32.69 2cye s GLU 110 CO 0.06 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.21 2cye n GLY 111 N 5.25 0.22 2.41 -1.39 0.00 -1.26 -2.40 105.19 108.02 2cye n GLY 111 Ca -0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 46.02 45.35 2cye n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cye n GLY 112 N -1.20 0.57 3.21 -0.02 0.00 -1.26 -5.00 105.19 101.49 2cye n GLY 112 Ca -0.09 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 2cye n GLY 112 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cye s ARG 113 N -1.60 1.20 0.24 1.61 3.52 -1.01 -5.05 118.95 117.87 2cye s ARG 113 Ca 0.00 -0.88 -0.31 0.00 -0.13 0.00 0.00 55.73 54.41 2cye s ARG 113 Cb 0.00 -1.28 -0.13 0.00 -1.56 0.00 0.00 34.95 31.98 2cye s ARG 113 CO 0.00 0.32 1.56 -2.30 -0.81 0.00 0.00 175.30 174.08 2cye n PRO 114 N 1.84 2.45 -4.11 5.12 -0.02 -1.26 -0.17 135.00 138.85 2cye n PRO 114 Ca -0.18 0.87 -0.12 0.00 -2.02 0.00 0.00 63.50 62.06 2cye n PRO 114 Cb 0.54 -2.63 -0.11 0.00 -0.02 0.00 0.00 33.50 31.28 2cye n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cye s ALA 115 N 0.32 0.74 0.35 3.55 0.00 -0.63 -4.80 121.76 121.29 2cye s ALA 115 Ca 0.69 -1.02 -0.28 0.00 0.00 0.00 0.00 51.96 51.35 2cye s ALA 115 Cb -0.57 0.10 -0.12 0.00 0.00 0.00 0.00 23.12 22.53 2cye s ALA 115 CO 0.44 -0.12 1.40 -2.30 0.00 0.00 0.00 175.76 175.18 2cye n PRO 116 N 0.80 2.38 -1.78 0.00 -0.02 -1.26 -4.34 135.00 130.77 2cye n PRO 116 Ca -0.18 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 2cye n PRO 116 Cb 0.57 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 2cye n PRO 116 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2cye s LEU 117 N -1.31 4.37 0.45 2.45 1.43 0.18 -4.91 118.68 121.35 2cye s LEU 117 Ca 0.56 2.80 -0.25 0.00 -1.03 0.00 0.00 54.13 56.21 2cye s LEU 117 Cb -0.53 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.01 2cye s LEU 117 CO 0.61 -0.93 1.42 -2.84 0.23 0.00 0.00 176.35 174.83 2cye s PRO 118 N 1.18 3.66 0.43 1.29 0.02 -1.26 -4.86 135.00 135.46 2cye s PRO 118 Ca 0.74 2.39 0.17 0.00 0.02 0.00 0.00 61.00 64.32 2cye s PRO 118 Cb -0.48 -2.63 1.08 0.00 0.02 0.00 0.00 34.50 32.49 2cye s PRO 118 CO 0.32 -0.83 1.91 1.49 -0.33 0.00 0.00 177.00 179.56 2cye h GLU 119 N 2.29 0.38 -0.39 5.54 4.57 -2.00 -1.26 114.58 123.71 2cye h GLU 119 Ca -0.51 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.64 2cye h GLU 119 Cb 1.27 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 2cye h GLU 119 CO 0.61 0.25 0.21 0.00 -1.18 0.00 0.00 179.01 178.90 2cye h ALA 120 N 1.64 0.50 -0.62 2.92 0.00 -2.00 -2.32 119.26 119.38 2cye h ALA 120 Ca 0.39 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 2cye h ALA 120 Cb 0.96 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2cye h ALA 120 CO -0.13 0.04 0.05 0.82 0.00 0.00 0.00 179.25 180.03 2cye h ILE 121 N 0.50 1.26 -0.46 0.00 1.08 -1.60 -2.56 117.51 115.73 2cye h ILE 121 Ca 0.14 -1.09 0.05 0.00 -0.39 0.00 0.00 64.86 63.57 2cye h ILE 121 Cb 0.07 0.75 -0.05 0.00 -3.07 0.00 0.00 36.82 34.53 2cye h ILE 121 CO -0.02 0.40 0.19 0.03 -0.69 0.00 0.00 178.15 178.06 2cye h ARG 122 N 0.96 0.37 -0.18 2.37 3.08 -1.21 -1.57 114.38 118.19 2cye h ARG 122 Ca 0.18 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 2cye h ARG 122 Cb 0.50 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2cye h ARG 122 CO 0.02 0.24 -0.30 0.93 -1.07 0.00 0.00 179.97 179.79 2cye h GLU 123 N 0.38 0.36 -0.38 0.04 4.39 -1.30 -1.85 114.58 116.21 2cye h GLU 123 Ca 0.21 -0.14 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 2cye h GLU 123 Cb 0.18 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2cye h GLU 123 CO -0.19 0.63 -0.25 0.00 -1.16 0.00 0.00 179.01 178.04 2cye h ARG 124 N 0.31 0.77 -0.18 2.33 -0.00 -1.02 -0.13 114.38 116.46 2cye h ARG 124 Ca 0.04 -0.32 -0.03 0.00 -0.50 0.00 0.00 59.98 59.17 2cye h ARG 124 Cb 0.69 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.63 2cye h ARG 124 CO 0.05 0.94 -0.01 0.82 0.00 0.00 0.00 179.97 181.77 2cye h ILE 125 N 0.66 1.26 -0.44 2.04 5.03 -1.08 -0.52 117.51 124.47 2cye h ILE 125 Ca 0.09 -0.88 0.01 0.00 -0.12 0.00 0.00 64.86 63.96 2cye h ILE 125 Cb 0.77 1.49 -0.03 0.00 -3.03 0.00 0.00 36.82 36.02 2cye h ILE 125 CO 0.06 0.27 0.27 0.03 -0.68 0.00 0.00 178.15 178.10 2cye h ARG 126 N 0.07 0.53 -0.59 2.37 3.08 -1.16 0.47 114.38 119.16 2cye h ARG 126 Ca 0.05 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 2cye h ARG 126 Cb 0.40 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2cye h ARG 126 CO 0.01 0.35 0.26 0.00 -1.07 0.00 0.00 179.97 179.53 2cye h ALA 127 N 1.19 0.76 -0.28 0.04 0.00 -0.96 -1.83 119.26 118.17 2cye h ALA 127 Ca 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2cye h ALA 127 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2cye h ALA 127 CO -0.07 0.34 0.14 1.25 0.00 0.00 0.00 179.25 180.92 2cye h LEU 128 N 0.80 0.36 -0.24 0.00 6.46 -0.65 -3.28 115.31 118.76 2cye h LEU 128 Ca 0.20 -0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 2cye h LEU 128 Cb 0.15 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 2cye h LEU 128 CO -0.02 0.36 -0.13 -0.33 -0.62 0.00 0.00 178.44 177.71 2cye h GLU 129 N 0.33 0.50 -1.76 1.25 4.39 -0.78 -3.47 114.58 115.03 2cye h GLU 129 Ca 0.10 -0.23 -0.36 0.00 0.34 0.00 0.00 59.36 59.21 2cye h GLU 129 Cb 0.09 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.66 2cye h GLU 129 CO -0.01 0.78 -0.40 0.41 -1.16 0.00 0.00 179.01 178.63 2cye n GLY 130 N 0.00 0.59 3.02 -3.84 0.00 -0.70 -4.95 105.19 99.32 2cye n GLY 130 Ca -0.04 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 2cye n GLY 130 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2cye s ARG 131 N -4.26 0.49 0.00 1.61 3.52 -1.26 -5.15 118.95 113.90 2cye s ARG 131 Ca 0.00 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.07 2cye s ARG 131 Cb 0.00 -0.35 0.00 0.00 -1.56 0.00 0.00 34.95 33.04 2cye s ARG 131 CO 0.00 0.08 0.31 -2.30 -0.81 0.00 0.00 175.30 172.58