#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gya s VAL 3 N 0.00 0.53 -0.02 2.53 -7.23 -1.26 -3.90 120.40 111.05 3gya s VAL 3 Ca 0.00 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.30 3gya s VAL 3 Cb 0.00 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 3gya s VAL 3 CO 0.00 -0.85 -0.11 0.42 -0.31 0.00 0.00 175.10 174.25 3gya s THR 4 N -3.73 3.34 -0.20 5.32 -4.23 -0.31 -4.93 115.64 110.90 3gya s THR 4 Ca 0.12 -0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 59.79 3gya s THR 4 Cb 0.06 -2.39 -0.03 0.00 1.34 0.00 0.00 72.50 71.48 3gya s THR 4 CO -0.05 0.48 0.04 -0.63 -0.54 0.00 0.00 174.62 173.92 3gya s ILE 5 N -0.87 4.45 -0.01 2.99 1.01 -1.26 -0.23 121.20 127.28 3gya s ILE 5 Ca 0.14 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.69 3gya s ILE 5 Cb -0.11 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 3gya s ILE 5 CO 0.04 0.43 -0.14 -0.70 0.00 0.00 0.00 174.94 174.57 3gya s GLU 6 N 0.74 1.08 0.16 2.79 2.12 0.09 -4.96 118.70 120.71 3gya s GLU 6 Ca 0.02 -0.51 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 3gya s GLU 6 Cb -0.14 -1.05 -0.08 0.00 0.26 0.00 0.00 34.13 33.13 3gya s GLU 6 CO 0.02 0.28 1.23 0.50 -0.54 0.00 0.00 175.26 176.75 3gya s ARG 7 N -0.40 4.45 -0.46 4.30 3.52 -1.26 -0.84 118.95 128.27 3gya s ARG 7 Ca 0.05 1.89 -0.26 0.00 -0.13 0.00 0.00 55.73 57.28 3gya s ARG 7 Cb -0.05 -3.26 0.03 0.00 -1.56 0.00 0.00 34.95 30.11 3gya s ARG 7 CO -0.00 -0.17 0.97 0.08 -0.81 0.00 0.00 175.30 175.37 3gya s VAL 8 N 0.29 4.42 -0.03 7.11 1.01 -1.26 -4.83 120.40 127.11 3gya s VAL 8 Ca 0.55 0.89 0.18 0.00 0.00 0.00 0.00 61.98 63.60 3gya s VAL 8 Cb -0.33 -4.47 -0.28 0.00 0.00 0.00 0.00 36.38 31.31 3gya s VAL 8 CO 0.35 -0.85 0.39 0.59 0.00 0.00 0.00 175.10 175.57 3gya n ASN 9 N 7.29 0.82 -3.49 3.32 5.03 -1.26 -4.87 115.26 122.10 3gya n ASN 9 Ca 0.08 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.24 3gya n ASN 9 Cb 0.49 1.80 -0.13 0.00 -1.02 0.00 0.00 39.78 40.91 3gya n ASN 9 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3gya s ASP 10 N -4.15 3.17 0.54 6.41 2.15 -1.26 -5.01 116.67 118.51 3gya s ASP 10 Ca -0.07 -1.82 0.26 0.00 0.43 0.00 0.00 52.55 51.36 3gya s ASP 10 Cb 0.11 -0.36 1.42 0.00 -0.30 0.00 0.00 42.92 43.79 3gya s ASP 10 CO 0.76 -0.36 1.98 -0.26 -0.17 0.00 0.00 175.17 177.12 3gya h PHE 11 N 7.57 0.00 0.00 -5.34 0.04 -1.97 -1.80 116.94 115.44 3gya h PHE 11 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 3gya h PHE 11 Cb 0.99 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.14 3gya h PHE 11 CO 0.38 0.00 0.00 -0.25 -0.60 0.00 0.00 178.31 177.84 3gya n ASP 12 N -4.31 0.00 -0.60 2.17 8.00 -1.26 -3.37 116.55 117.19 3gya n ASP 12 Ca 0.10 -0.70 0.13 0.00 0.71 0.00 0.00 54.79 55.03 3gya n ASP 12 Cb 0.64 -0.09 0.42 0.00 -0.02 0.00 0.00 41.12 42.07 3gya n ASP 12 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gya n GLY 13 N 1.02 0.28 3.32 0.44 0.00 -0.68 -4.90 105.19 104.67 3gya n GLY 13 Ca 0.20 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 3gya n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gya s TYR 14 N -1.94 1.94 -0.58 1.61 2.02 -1.22 -5.09 117.35 114.09 3gya s TYR 14 Ca 0.35 -0.41 -0.22 0.00 -0.37 0.00 0.00 57.07 56.43 3gya s TYR 14 Cb 0.20 -1.05 0.06 0.00 -0.40 0.00 0.00 41.96 40.77 3gya s TYR 14 CO 0.32 0.25 0.86 1.21 -1.57 0.00 0.00 175.55 176.62 3gya s ASN 15 N -2.00 6.24 0.00 2.29 2.47 -1.26 -4.88 114.94 117.80 3gya s ASN 15 Ca 0.09 -0.79 0.27 0.00 0.42 0.00 0.00 52.86 52.85 3gya s ASN 15 Cb -0.10 -2.38 0.81 0.00 -1.45 0.00 0.00 41.25 38.13 3gya s ASN 15 CO 0.05 -1.21 1.60 0.79 -3.72 0.00 0.00 177.10 174.61 3gya n TRP 16 N 7.15 0.00 -0.30 0.43 7.02 -1.26 -4.45 117.44 126.03 3gya n TRP 16 Ca -0.03 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.40 3gya n TRP 16 Cb 0.46 -0.16 0.07 0.00 -2.42 0.00 0.00 31.31 29.26 3gya n TRP 16 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3gya h LEU 17 N 0.90 0.99 -0.72 -0.99 3.38 -1.99 -0.41 115.31 116.47 3gya h LEU 17 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3gya h LEU 17 Cb 0.48 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3gya h LEU 17 CO 0.00 0.77 0.47 -0.65 0.09 0.00 0.00 178.44 179.12 3gya h PRO 18 N 1.12 0.96 -0.53 1.13 0.11 -1.97 0.12 132.00 132.94 3gya h PRO 18 Ca 0.29 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.25 3gya h PRO 18 Cb -0.02 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 3gya h PRO 18 CO -0.05 0.64 0.01 1.25 -0.21 0.00 0.00 178.00 179.64 3gya h LEU 19 N 0.98 0.91 -0.51 2.35 5.85 -1.73 -1.56 115.31 121.59 3gya h LEU 19 Ca 0.26 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3gya h LEU 19 Cb -0.10 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 3gya h LEU 19 CO -0.06 0.99 0.28 -0.07 -0.34 0.00 0.00 178.44 179.24 3gya h LEU 20 N 0.80 0.64 -0.04 2.25 3.38 -0.87 -2.08 115.31 119.39 3gya h LEU 20 Ca 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3gya h LEU 20 Cb 0.52 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3gya h LEU 20 CO 0.03 0.55 -0.01 0.00 0.09 0.00 0.00 178.44 179.10 3gya h ALA 21 N 1.12 0.06 -0.46 1.53 0.00 -0.51 -1.78 119.26 119.21 3gya h ALA 21 Ca 0.18 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3gya h ALA 21 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3gya h ALA 21 CO -0.03 -0.25 0.06 0.87 0.00 0.00 0.00 179.25 179.90 3gya h LYS 22 N -0.26 0.76 -0.44 0.00 1.79 -1.32 -1.11 116.57 115.99 3gya h LYS 22 Ca 0.01 -0.21 -0.05 0.00 -2.18 0.00 0.00 60.65 58.22 3gya h LYS 22 Cb 0.37 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 3gya h LYS 22 CO 0.00 0.79 0.09 0.66 -1.08 0.00 0.00 179.45 179.91 3gya h SER 23 N 0.62 0.69 -0.52 0.86 4.64 -1.40 -2.11 113.55 116.33 3gya h SER 23 Ca 0.14 -0.25 0.01 0.00 -0.47 0.00 0.00 61.79 61.22 3gya h SER 23 Cb 0.40 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3gya h SER 23 CO 0.01 0.76 0.34 -1.28 -0.87 0.00 0.00 176.83 175.79 3gya h SER 24 N 0.59 0.58 -0.96 4.97 0.87 -1.23 -0.68 113.55 117.69 3gya h SER 24 Ca 0.14 -0.01 0.12 0.00 -1.23 0.00 0.00 61.79 60.81 3gya h SER 24 Cb 0.35 -0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 62.09 3gya h SER 24 CO 0.01 0.42 0.59 1.56 -0.53 0.00 0.00 176.83 178.87 3gya h GLN 25 N 0.69 0.89 0.00 2.24 4.20 -0.88 -0.37 115.11 121.88 3gya h GLN 25 Ca 0.20 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3gya h GLN 25 Cb -0.05 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.53 3gya h GLN 25 CO -0.06 0.59 0.00 0.39 -0.67 0.00 0.00 178.83 179.08 3gya n GLU 26 N -4.67 0.42 -0.62 1.46 1.02 -0.82 -4.91 120.64 112.52 3gya n GLU 26 Ca 0.18 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 3gya n GLU 26 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3gya n GLU 26 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gya n GLY 27 N 0.94 0.67 3.80 0.62 0.00 -0.15 -5.07 105.19 106.00 3gya n GLY 27 Ca 0.13 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 3gya n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gya s PHE 28 N -2.00 3.58 -2.20 1.61 0.08 -0.31 -4.98 117.98 113.77 3gya s PHE 28 Ca 0.00 0.70 0.20 0.00 0.12 0.00 0.00 56.93 57.95 3gya s PHE 28 Cb 0.00 -2.22 0.08 0.00 -0.57 0.00 0.00 43.02 40.32 3gya s PHE 28 CO 0.00 0.50 1.07 1.04 -0.10 0.00 0.00 175.22 177.73 3gya n GLN 29 N 2.60 1.67 -0.09 0.44 3.00 -1.26 -3.57 117.38 120.16 3gya n GLN 29 Ca -0.15 -1.34 -0.02 0.00 -0.01 0.00 0.00 57.00 55.48 3gya n GLN 29 Cb 0.53 -1.39 0.23 0.00 0.00 0.00 0.00 30.24 29.61 3gya n GLN 29 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.06 178.43 3gya h LEU 30 N 3.15 0.69 -0.07 1.08 -0.00 -1.94 0.34 115.31 118.56 3gya h LEU 30 Ca 0.00 -0.11 -0.07 0.00 -0.00 0.00 0.00 57.88 57.70 3gya h LEU 30 Cb 0.76 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 3gya h LEU 30 CO 0.00 0.68 -0.23 0.58 -0.00 0.00 0.00 178.44 179.46 3gya h VAL 31 N 0.72 1.43 -0.34 0.15 2.07 -1.92 -3.21 116.25 115.16 3gya h VAL 31 Ca 0.16 -1.63 0.07 0.00 0.82 0.00 0.00 66.70 66.13 3gya h VAL 31 Cb 0.26 2.31 -0.07 0.00 -1.52 0.00 0.00 31.29 32.27 3gya h VAL 31 CO -0.00 0.46 -0.14 -0.08 0.02 0.00 0.00 177.57 177.82 3gya h GLU 32 N -0.23 -0.08 -0.84 1.57 4.81 -1.75 -1.43 114.58 116.62 3gya h GLU 32 Ca -0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3gya h GLU 32 Cb 0.87 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3gya h GLU 32 CO 0.05 -0.05 0.00 0.54 -0.73 0.00 0.00 179.01 178.82 3gya n ARG 33 N -5.33 0.00 0.00 1.92 1.74 0.11 -0.78 116.66 114.33 3gya n ARG 33 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3gya n ARG 33 Cb 0.24 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 3gya n ARG 33 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gya n LEU 35 N 0.70 0.00 -0.15 0.55 4.77 -0.54 -1.38 117.00 120.94 3gya n LEU 35 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3gya n LEU 35 Cb 0.00 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 3gya n LEU 35 CO 0.00 0.00 1.02 0.03 -1.33 0.00 0.00 177.39 177.11 3gya h ARG 36 N 0.00 0.88 -0.63 3.23 3.08 -1.20 -2.98 114.38 116.75 3gya h ARG 36 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3gya h ARG 36 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.90 3gya h ARG 36 CO 0.00 0.75 0.00 -1.71 -1.07 0.00 0.00 179.97 177.94 3gya n ASN 37 N -4.30 4.05 0.15 7.04 5.15 -0.48 -4.59 115.26 122.28 3gya n ASN 37 Ca 0.05 -2.41 0.12 0.00 -0.60 0.00 0.00 54.58 51.74 3gya n ASN 37 Cb 0.19 -0.53 0.53 0.00 -0.53 0.00 0.00 39.78 39.44 3gya n ASN 37 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 3gya h ARG 38 N 3.30 0.00 -0.14 1.20 0.11 -1.69 -0.51 114.38 116.65 3gya h ARG 38 Ca 0.00 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.86 3gya h ARG 38 Cb 1.28 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.37 3gya h ARG 38 CO 0.22 0.00 -0.76 0.00 0.10 0.00 0.00 179.97 179.52 3gya h ARG 39 N 0.00 0.72 0.12 0.08 3.08 -1.85 -3.09 114.38 113.44 3gya h ARG 39 Ca 0.00 -0.59 -0.30 0.00 0.07 0.00 0.00 59.98 59.16 3gya h ARG 39 Cb 0.29 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3gya h ARG 39 CO 0.00 1.20 -1.58 0.93 -1.07 0.00 0.00 179.97 179.45 3gya h GLU 40 N 0.50 0.26 -3.30 0.04 3.07 -1.81 -3.40 114.58 109.93 3gya h GLU 40 Ca -0.05 -0.44 -0.70 0.00 -0.50 0.00 0.00 59.36 57.68 3gya h GLU 40 Cb 1.38 0.16 -0.36 0.00 -0.84 0.00 0.00 28.75 29.10 3gya h GLU 40 CO 0.15 1.21 -0.14 -1.21 -1.40 0.00 0.00 179.01 177.62 3gya s GLU 41 N -2.50 3.18 0.20 2.33 2.02 -0.24 -4.88 118.70 118.81 3gya s GLU 41 Ca -0.20 -3.26 0.25 0.00 0.02 0.00 0.00 54.97 51.77 3gya s GLU 41 Cb 0.05 -3.90 0.50 0.00 0.10 0.00 0.00 34.13 30.88 3gya s GLU 41 CO 0.77 -1.26 1.52 0.66 0.02 0.00 0.00 175.26 176.96 3gya h SER 42 N 5.99 0.00 -2.70 -0.19 4.64 -1.75 -3.37 113.55 116.17 3gya h SER 42 Ca 0.15 -0.08 -0.34 0.00 -0.47 0.00 0.00 61.79 61.04 3gya h SER 42 Cb 0.81 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.85 3gya h SER 42 CO 0.84 0.04 -0.40 0.49 -0.87 0.00 0.00 176.83 176.93 3gya n PHE 43 N -2.35 -0.88 0.42 4.77 3.72 -1.26 -4.85 117.46 117.03 3gya n PHE 43 Ca 0.04 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.50 3gya n PHE 43 Cb 0.46 -3.31 -0.08 0.00 -0.94 0.00 0.00 39.48 35.61 3gya n PHE 43 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3gya n GLN 44 N -2.68 2.35 -2.07 -1.08 1.13 -1.26 -3.64 117.38 110.14 3gya n GLN 44 Ca -0.19 -0.03 -0.27 0.00 -1.94 0.00 0.00 57.00 54.57 3gya n GLN 44 Cb 0.63 -1.13 0.08 0.00 0.11 0.00 0.00 30.24 29.92 3gya n GLN 44 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3gya s GLU 45 N -2.32 2.15 0.39 -1.09 0.41 -1.26 -4.96 118.70 112.01 3gya s GLU 45 Ca 0.02 -0.07 -0.27 0.00 -0.41 0.00 0.00 54.97 54.25 3gya s GLU 45 Cb 0.09 -2.08 -0.11 0.00 -1.78 0.00 0.00 34.13 30.25 3gya s GLU 45 CO 0.50 -1.36 1.29 -0.25 -0.49 0.00 0.00 175.26 174.95 3gya n ASP 46 N -3.08 2.71 0.00 -0.19 8.00 -1.26 -2.29 116.55 120.44 3gya n ASP 46 Ca 0.08 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.74 3gya n ASP 46 Cb 0.60 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 3gya n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gya n GLY 47 N 0.77 0.56 3.13 0.44 0.00 -1.26 -4.98 105.19 103.85 3gya n GLY 47 Ca 0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3gya n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gya s GLU 48 N -0.15 0.60 0.00 1.61 -1.05 -0.97 -3.92 118.70 114.81 3gya s GLU 48 Ca 0.00 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 54.17 3gya s GLU 48 Cb 0.00 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 3gya s GLU 48 CO 0.00 -0.16 0.00 0.00 0.95 0.00 0.00 175.26 176.05 3gya n ALA 49 N 0.87 0.00 -3.59 -0.84 0.00 -0.49 -4.56 120.51 111.90 3gya n ALA 49 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 3gya n ALA 49 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 3gya n ALA 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3gya s PHE 51 N -4.44 -0.23 0.07 0.00 0.08 -0.20 -0.76 117.98 112.50 3gya s PHE 51 Ca 0.00 0.32 0.07 0.00 0.12 0.00 0.00 56.93 57.44 3gya s PHE 51 Cb 0.00 0.48 -0.03 0.00 -0.57 0.00 0.00 43.02 42.91 3gya s PHE 51 CO 0.00 -0.25 -0.19 0.14 -0.10 0.00 0.00 175.22 174.81 3gya s VAL 52 N -1.58 1.57 -0.25 -0.44 -7.23 -0.02 -1.38 120.40 111.08 3gya s VAL 52 Ca 0.04 -1.32 -0.11 0.00 -1.81 0.00 0.00 61.98 58.78 3gya s VAL 52 Cb -0.01 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 3gya s VAL 52 CO -0.03 0.04 0.19 0.00 -0.31 0.00 0.00 175.10 174.98 3gya s ALA 53 N -0.99 3.58 -0.12 1.32 0.00 -0.21 -0.73 121.76 124.61 3gya s ALA 53 Ca 0.06 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 3gya s ALA 53 Cb -0.09 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 3gya s ALA 53 CO 0.03 -0.31 -0.02 -0.51 0.00 0.00 0.00 175.76 174.94 3gya s LEU 54 N 1.30 3.40 1.12 0.00 1.43 0.68 -0.28 118.68 126.33 3gya s LEU 54 Ca 0.08 -0.00 -0.17 0.00 -1.03 0.00 0.00 54.13 53.01 3gya s LEU 54 Cb -0.14 -1.80 0.25 0.00 0.03 0.00 0.00 46.19 44.53 3gya s LEU 54 CO 0.07 0.27 1.13 -0.94 0.23 0.00 0.00 176.35 177.10 3gya s SER 55 N -0.21 1.62 0.42 2.29 1.04 0.11 -1.17 113.70 117.79 3gya s SER 55 Ca 0.05 0.73 0.29 0.00 0.48 0.00 0.00 55.95 57.50 3gya s SER 55 Cb -0.13 -1.07 1.37 0.00 0.10 0.00 0.00 66.02 66.30 3gya s SER 55 CO 0.02 -3.70 1.89 0.71 0.98 0.00 0.00 173.24 173.13 3gya h THR 56 N -2.29 0.00 -0.45 2.02 1.35 -1.91 -0.83 112.91 110.80 3gya h THR 56 Ca -0.47 -0.22 -0.03 0.00 -0.55 0.00 0.00 66.41 65.13 3gya h THR 56 Cb 1.30 1.01 -0.02 0.00 -1.73 0.00 0.00 68.15 68.72 3gya h THR 56 CO 0.41 0.00 0.03 0.35 -0.25 0.00 0.00 175.52 176.06 3gya n THR 57 N -2.61 2.58 -3.81 6.82 -2.24 -1.26 -4.97 114.28 108.78 3gya n THR 57 Ca 0.00 -1.70 -0.26 0.00 -2.27 0.00 0.00 64.05 59.82 3gya n THR 57 Cb 0.18 -0.28 0.03 0.00 -2.10 0.00 0.00 70.33 68.16 3gya n THR 57 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3gya n ASN 58 N -0.04 -2.93 -4.71 3.42 3.02 -0.32 -5.01 115.26 108.69 3gya n ASN 58 Ca 0.27 -0.81 -0.34 0.00 -0.03 0.00 0.00 54.58 53.67 3gya n ASN 58 Cb 1.08 -3.94 -0.09 0.00 -0.61 0.00 0.00 39.78 36.22 3gya n ASN 58 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3gya s GLN 59 N -6.31 2.98 -0.05 3.52 -0.21 -1.26 -4.87 119.66 113.45 3gya s GLN 59 Ca 0.33 -0.46 -0.30 0.00 0.02 0.00 0.00 55.36 54.95 3gya s GLN 59 Cb -0.16 -2.80 -0.04 0.00 1.00 0.00 0.00 33.01 31.01 3gya s GLN 59 CO 0.82 0.68 1.31 0.08 -2.12 0.00 0.00 175.29 176.06 3gya s VAL 60 N -1.01 4.02 -0.24 1.09 1.01 -1.26 -0.71 120.40 123.30 3gya s VAL 60 Ca 0.17 1.35 0.13 0.00 0.00 0.00 0.00 61.98 63.62 3gya s VAL 60 Cb -0.12 -3.87 -0.18 0.00 0.00 0.00 0.00 36.38 32.22 3gya s VAL 60 CO 0.07 -0.03 0.38 0.18 0.00 0.00 0.00 175.10 175.70 3gya n LEU 61 N 5.59 0.23 -3.59 3.92 4.77 0.61 -4.84 117.00 123.68 3gya n LEU 61 Ca 0.13 -0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 55.84 3gya n LEU 61 Cb 0.45 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 3gya n LEU 61 CO 0.57 0.06 0.62 0.00 -1.33 0.00 0.00 177.39 177.31 3gya s ALA 62 N -2.64 -1.68 0.08 -1.18 0.00 -1.21 -0.37 121.76 114.76 3gya s ALA 62 Ca -0.01 0.54 -0.07 0.00 0.00 0.00 0.00 51.96 52.42 3gya s ALA 62 Cb 0.09 0.61 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 3gya s ALA 62 CO 0.54 -0.83 0.13 0.00 0.00 0.00 0.00 175.76 175.60 3gya n GLY 64 N 0.03 1.67 0.00 0.00 0.00 -0.48 -1.07 105.19 105.34 3gya n GLY 64 Ca -0.15 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3gya n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gya n GLY 65 N -0.29 2.93 3.68 -0.02 0.00 -0.15 -1.03 105.19 110.30 3gya n GLY 65 Ca 0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 3gya n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gya s TYR 66 N -2.75 0.20 0.15 1.61 -0.85 0.06 -0.73 117.35 115.04 3gya s TYR 66 Ca 0.00 -0.60 -0.30 0.00 -0.52 0.00 0.00 57.07 55.65 3gya s TYR 66 Cb 0.00 0.37 -0.07 0.00 0.38 0.00 0.00 41.96 42.64 3gya s TYR 66 CO 0.00 -1.10 0.96 0.21 -1.52 0.00 0.00 175.55 174.10 3gya s LYS 68 N -3.90 4.74 -0.12 -3.49 2.20 -1.25 -1.40 119.74 116.52 3gya s LYS 68 Ca 0.19 1.47 -0.30 0.00 -0.36 0.00 0.00 55.97 56.97 3gya s LYS 68 Cb -0.03 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 3gya s LYS 68 CO 0.09 0.29 1.16 -1.14 -0.36 0.00 0.00 175.35 175.39 3gya s GLN 69 N -0.31 4.31 0.35 4.03 2.00 -0.44 -4.58 119.66 125.02 3gya s GLN 69 Ca 0.45 1.58 -0.29 0.00 -2.00 0.00 0.00 55.36 55.11 3gya s GLN 69 Cb -0.24 -3.63 -0.11 0.00 0.80 0.00 0.00 33.01 29.83 3gya s GLN 69 CO 0.31 -0.53 1.48 0.45 -0.50 0.00 0.00 175.29 176.49 3gya s SER 70 N 1.52 6.42 0.00 6.67 0.15 -1.26 -3.48 113.70 123.72 3gya s SER 70 Ca 0.53 2.97 0.00 0.00 0.70 0.00 0.00 55.95 60.15 3gya s SER 70 Cb -0.21 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 3gya s SER 70 CO 0.17 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.39 3gya n GLY 71 N 0.85 1.54 3.80 9.45 0.00 -1.26 -4.96 105.19 114.61 3gya n GLY 71 Ca 0.02 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 3gya n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gya s GLN 72 N 0.00 3.19 0.16 1.61 -1.52 -1.23 -5.05 119.66 116.82 3gya s GLN 72 Ca 0.00 -0.35 -0.29 0.00 -1.95 0.00 0.00 55.36 52.77 3gya s GLN 72 Cb 0.00 -2.96 -0.07 0.00 -0.22 0.00 0.00 33.01 29.76 3gya s GLN 72 CO 0.00 0.70 0.93 0.00 -0.25 0.00 0.00 175.29 176.67 3gya s ALA 73 N -1.08 3.30 -1.72 6.09 0.00 -1.26 -3.79 121.76 123.30 3gya s ALA 73 Ca 0.18 0.56 -0.19 0.00 0.00 0.00 0.00 51.96 52.52 3gya s ALA 73 Cb -0.12 -3.22 0.17 0.00 0.00 0.00 0.00 23.12 19.95 3gya s ALA 73 CO 0.08 0.08 0.77 0.54 0.00 0.00 0.00 175.76 177.24 3gya n ARG 74 N 2.25 -2.93 -4.77 0.00 1.74 -1.26 -4.89 116.66 106.79 3gya n ARG 74 Ca -0.00 0.35 -0.26 0.00 -0.77 0.00 0.00 57.85 57.17 3gya n ARG 74 Cb 0.48 -5.06 -0.16 0.00 -1.02 0.00 0.00 32.46 26.71 3gya n ARG 74 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3gya s THR 75 N -3.29 1.37 0.11 0.55 2.01 -1.25 -0.90 115.64 114.23 3gya s THR 75 Ca 0.74 -0.65 0.05 0.00 0.31 0.00 0.00 61.69 62.15 3gya s THR 75 Cb -0.41 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 3gya s THR 75 CO 0.94 0.40 0.01 -0.83 -0.69 0.00 0.00 174.62 174.45 3gya s GLY 76 N 0.31 1.88 -0.16 4.40 0.00 -0.02 -1.32 107.32 112.41 3gya s GLY 76 Ca -0.10 -1.16 -0.03 0.00 0.00 0.00 0.00 44.72 43.44 3gya s GLY 76 CO 0.03 -1.15 -0.06 -1.60 0.00 0.00 0.00 173.10 170.33 3gya s ARG 77 N -2.45 3.55 -0.07 2.90 3.52 -1.26 -0.61 118.95 124.54 3gya s ARG 77 Ca 0.26 -0.58 -0.27 0.00 -0.13 0.00 0.00 55.73 55.01 3gya s ARG 77 Cb -0.11 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.39 3gya s ARG 77 CO 0.19 0.16 0.88 0.42 -0.81 0.00 0.00 175.30 176.14 3gya s ILE 78 N 0.55 4.91 0.06 4.11 1.01 -0.01 -4.31 121.20 127.52 3gya s ILE 78 Ca -0.04 1.81 0.05 0.00 0.00 0.00 0.00 60.65 62.46 3gya s ILE 78 Cb -0.15 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 3gya s ILE 78 CO 0.03 0.13 -0.13 -0.13 0.00 0.00 0.00 174.94 174.84 3gya s ARG 79 N 1.33 0.78 -1.33 2.79 0.52 0.09 -4.62 118.95 118.52 3gya s ARG 79 Ca 0.45 -0.88 -0.06 0.00 -0.52 0.00 0.00 55.73 54.72 3gya s ARG 79 Cb -0.19 -0.75 0.02 0.00 0.52 0.00 0.00 34.95 34.55 3gya s ARG 79 CO 0.21 0.17 1.05 0.72 0.02 0.00 0.00 175.30 177.46 3gya n HIS 80 N 1.43 -2.49 -3.02 -0.53 8.25 -1.26 -0.98 115.22 116.62 3gya n HIS 80 Ca -0.21 0.96 -0.41 0.00 -0.26 0.00 0.00 57.72 57.80 3gya n HIS 80 Cb 0.54 -4.84 -0.05 0.00 1.12 0.00 0.00 29.99 26.76 3gya n HIS 80 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gya s VAL 81 N -3.37 4.93 -0.19 1.59 1.01 -1.26 -3.46 120.40 119.66 3gya s VAL 81 Ca 0.35 1.31 -0.12 0.00 0.00 0.00 0.00 61.98 63.52 3gya s VAL 81 Cb -0.16 -4.01 0.06 0.00 0.00 0.00 0.00 36.38 32.27 3gya s VAL 81 CO 0.75 -0.00 0.46 -0.47 0.00 0.00 0.00 175.10 175.84 3gya s TYR 82 N 2.57 -0.64 -0.10 5.22 5.04 -0.23 -4.99 117.35 124.21 3gya s TYR 82 Ca 0.30 1.39 0.02 0.00 -2.44 0.00 0.00 57.07 56.34 3gya s TYR 82 Cb -0.15 0.29 -0.01 0.00 0.35 0.00 0.00 41.96 42.43 3gya s TYR 82 CO 0.08 -0.34 -0.16 0.08 -1.34 0.00 0.00 175.55 173.87 3gya s VAL 83 N 1.12 2.80 0.23 3.14 1.01 -1.26 -1.07 120.40 126.37 3gya s VAL 83 Ca -0.07 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 3gya s VAL 83 Cb -0.07 -2.13 -0.15 0.00 0.00 0.00 0.00 36.38 34.04 3gya s VAL 83 CO -0.10 0.55 1.13 0.18 0.00 0.00 0.00 175.10 176.86 3gya n LEU 84 N 3.19 1.89 -0.26 3.92 4.77 0.51 -4.80 117.00 126.22 3gya n LEU 84 Ca -0.18 1.16 0.06 0.00 -0.03 0.00 0.00 56.01 57.02 3gya n LEU 84 Cb 0.53 -1.28 0.19 0.00 -2.33 0.00 0.00 43.42 40.53 3gya n LEU 84 CO 0.29 -1.22 0.92 -0.65 -1.33 0.00 0.00 177.39 175.40 3gya h PRO 85 N 2.90 0.23 0.00 3.23 0.11 -1.96 -0.22 132.00 136.29 3gya h PRO 85 Ca -0.42 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 3gya h PRO 85 Cb 1.33 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3gya h PRO 85 CO 0.67 0.15 -0.00 1.05 -0.21 0.00 0.00 178.00 179.66 3gya h GLU 86 N 0.24 0.00 -0.02 1.05 4.11 -1.97 -2.70 114.58 115.28 3gya h GLU 86 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.86 3gya h GLU 86 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3gya h GLU 86 CO -0.55 0.00 -0.28 0.00 0.07 0.00 0.00 179.01 178.26 3gya n ALA 87 N -2.09 3.10 -1.38 1.06 0.00 -0.12 -4.99 120.51 116.08 3gya n ALA 87 Ca -0.02 -0.66 -0.31 0.00 0.00 0.00 0.00 53.44 52.45 3gya n ALA 87 Cb 0.16 -0.80 0.08 0.00 0.00 0.00 0.00 19.45 18.89 3gya n ALA 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gya s ARG 88 N -2.28 2.52 -1.13 0.00 0.52 -1.02 -3.95 118.95 113.62 3gya s ARG 88 Ca 0.23 1.08 0.00 0.00 -0.52 0.00 0.00 55.73 56.51 3gya s ARG 88 Cb 0.19 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.73 3gya s ARG 88 CO 0.46 -1.43 0.00 0.43 0.02 0.00 0.00 175.30 174.78 3gya n SER 89 N -3.37 -4.18 -0.06 0.23 7.64 -1.26 -4.88 113.62 107.74 3gya n SER 89 Ca 0.08 0.21 0.05 0.00 1.01 0.00 0.00 58.87 60.23 3gya n SER 89 Cb 0.53 -2.81 0.08 0.00 -1.01 0.00 0.00 64.21 60.99 3gya n SER 89 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3gya n HIS 90 N -2.96 0.00 -0.68 1.43 8.25 -1.25 -5.00 115.22 115.01 3gya n HIS 90 Ca -0.11 -0.74 0.00 0.00 -0.26 0.00 0.00 57.72 56.60 3gya n HIS 90 Cb 0.41 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.42 3gya n HIS 90 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gya n GLY 91 N -0.98 0.79 0.11 -1.41 0.00 -1.26 -4.95 105.19 97.49 3gya n GLY 91 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 3gya n GLY 91 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gya h ILE 92 N 0.00 1.26 -0.90 -0.61 2.04 -1.95 -1.79 117.51 115.56 3gya h ILE 92 Ca 0.00 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 3gya h ILE 92 Cb 0.00 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 3gya h ILE 92 CO 0.00 0.25 0.52 1.23 0.00 0.00 0.00 178.15 180.15 3gya h GLY 93 N -0.03 1.33 0.94 5.37 0.00 -1.92 -0.41 103.07 108.34 3gya h GLY 93 Ca 0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 3gya h GLY 93 CO 0.01 0.55 0.15 -0.84 0.00 0.00 0.00 176.54 176.41 3gya h THR 94 N 1.25 1.18 -0.84 4.70 2.02 -1.96 0.50 112.91 119.77 3gya h THR 94 Ca 0.32 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 3gya h THR 94 Cb -0.02 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 3gya h THR 94 CO -0.06 0.20 0.46 0.00 0.37 0.00 0.00 175.52 176.49 3gya h ALA 95 N 1.00 1.08 -0.12 6.16 0.00 -0.72 -0.17 119.26 126.49 3gya h ALA 95 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gya h ALA 95 Cb 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3gya h ALA 95 CO -0.01 0.59 0.03 1.25 0.00 0.00 0.00 179.25 181.11 3gya h LEU 96 N 1.17 0.18 -0.49 0.00 5.85 -0.84 -2.08 115.31 119.10 3gya h LEU 96 Ca 0.30 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 3gya h LEU 96 Cb 0.04 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3gya h LEU 96 CO -0.05 0.35 0.03 -0.07 -0.34 0.00 0.00 178.44 178.36 3gya h LEU 97 N 0.01 0.83 -0.98 2.25 -0.00 -0.69 -0.90 115.31 115.83 3gya h LEU 97 Ca 0.04 -0.29 0.02 0.00 -0.00 0.00 0.00 57.88 57.65 3gya h LEU 97 Cb 0.23 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 40.62 3gya h LEU 97 CO -0.00 0.92 0.64 -0.33 -0.00 0.00 0.00 178.44 179.67 3gya h GLU 98 N 0.72 1.26 -0.20 1.13 5.08 -0.94 -2.48 114.58 119.15 3gya h GLU 98 Ca 0.14 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3gya h GLU 98 Cb 0.47 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3gya h GLU 98 CO 0.02 0.83 0.03 -0.22 -1.00 0.00 0.00 179.01 178.67 3gya h LYS 99 N 1.29 0.33 0.00 2.33 3.64 -1.04 -2.19 116.57 120.94 3gya h LYS 99 Ca 0.37 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3gya h LYS 99 Cb -0.10 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3gya h LYS 99 CO -0.09 0.49 0.00 -0.89 -2.27 0.00 0.00 179.45 176.69 3gya n ILE 100 N -4.74 0.00 0.00 2.00 5.41 -0.37 -1.89 119.36 119.77 3gya n ILE 100 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 3gya n ILE 100 Cb 0.19 -0.11 0.00 0.00 -0.71 0.00 0.00 39.64 39.01 3gya n ILE 100 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3gya n SER 102 N 0.27 0.00 -0.03 4.38 2.88 -0.82 -0.22 113.62 120.07 3gya n SER 102 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 3gya n SER 102 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 3gya n SER 102 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3gya h GLU 103 N 0.00 0.21 -0.35 -1.46 4.81 -1.63 -3.33 114.58 112.82 3gya h GLU 103 Ca 0.00 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 3gya h GLU 103 Cb 0.00 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3gya h GLU 103 CO 0.00 0.85 0.07 0.00 -0.73 0.00 0.00 179.01 179.20 3gya h ALA 104 N 0.36 1.47 0.00 2.92 0.00 -0.84 -1.37 119.26 121.80 3gya h ALA 104 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3gya h ALA 104 Cb 0.90 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3gya h ALA 104 CO 0.04 0.39 0.00 1.19 0.00 0.00 0.00 179.25 180.88 3gya n PHE 105 N -4.33 0.00 0.17 0.00 3.72 -1.25 -1.46 117.46 114.32 3gya n PHE 105 Ca 0.02 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.47 3gya n PHE 105 Cb 0.20 -0.19 0.21 0.00 -0.94 0.00 0.00 39.48 38.76 3gya n PHE 105 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3gya h LEU 106 N 0.00 0.00 0.00 4.37 3.38 -1.37 -3.36 115.31 118.33 3gya h LEU 106 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 3gya h LEU 106 Cb 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3gya h LEU 106 CO 0.00 0.38 -2.00 0.41 0.09 0.00 0.00 178.44 177.32 3gya n THR 107 N -3.33 1.00 -4.57 0.22 -1.04 -0.53 -5.03 114.28 101.00 3gya n THR 107 Ca 0.01 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.22 3gya n THR 107 Cb 0.60 -0.88 -0.13 0.00 -1.82 0.00 0.00 70.33 68.10 3gya n THR 107 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3gya s TYR 108 N -2.35 2.50 -2.27 -1.42 2.02 -0.58 -4.94 117.35 110.31 3gya s TYR 108 Ca -0.16 -0.29 0.25 0.00 -0.37 0.00 0.00 57.07 56.50 3gya s TYR 108 Cb 0.05 -1.40 0.37 0.00 -0.40 0.00 0.00 41.96 40.57 3gya s TYR 108 CO 0.50 0.28 1.33 -0.25 -1.57 0.00 0.00 175.55 175.84 3gya n ASP 109 N 1.32 1.96 -3.73 2.29 8.00 -0.08 -4.39 116.55 121.91 3gya n ASP 109 Ca -0.16 -1.49 -0.13 0.00 0.71 0.00 0.00 54.79 53.72 3gya n ASP 109 Cb 0.52 0.22 -0.10 0.00 -0.02 0.00 0.00 41.12 41.74 3gya n ASP 109 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3gya s ARG 110 N -2.30 0.45 -0.05 -1.24 3.52 -1.11 -1.11 118.95 117.11 3gya s ARG 110 Ca 0.25 0.58 0.05 0.00 -0.13 0.00 0.00 55.73 56.48 3gya s ARG 110 Cb 0.19 0.19 -0.02 0.00 -1.56 0.00 0.00 34.95 33.76 3gya s ARG 110 CO 0.46 -0.07 -0.20 -0.51 -0.81 0.00 0.00 175.30 174.17 3gya s LEU 111 N 0.36 2.38 0.17 -0.88 1.43 0.04 -0.84 118.68 121.34 3gya s LEU 111 Ca -0.01 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 3gya s LEU 111 Cb -0.03 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 3gya s LEU 111 CO -0.01 0.29 -0.10 0.68 0.23 0.00 0.00 176.35 177.44 3gya s VAL 112 N -0.41 1.27 0.18 -1.59 -7.23 0.22 -0.94 120.40 111.90 3gya s VAL 112 Ca 0.04 -2.09 -0.22 0.00 -1.81 0.00 0.00 61.98 57.90 3gya s VAL 112 Cb -0.12 -1.96 0.06 0.00 0.56 0.00 0.00 36.38 34.92 3gya s VAL 112 CO 0.02 -0.66 0.61 -1.48 -0.31 0.00 0.00 175.10 173.28 3gya s LEU 113 N -3.22 -0.48 -0.25 1.32 0.05 -0.66 -0.83 118.68 114.61 3gya s LEU 113 Ca 0.20 -0.11 0.01 0.00 0.05 0.00 0.00 54.13 54.28 3gya s LEU 113 Cb 0.02 2.58 0.05 0.00 -2.05 0.00 0.00 46.19 46.79 3gya s LEU 113 CO 0.03 -1.02 -0.10 -0.47 -0.55 0.00 0.00 176.35 174.24 3gya s TYR 114 N -3.78 3.16 -0.14 3.48 6.14 -1.26 -0.54 117.35 124.40 3gya s TYR 114 Ca 0.03 -2.04 -0.04 0.00 0.64 0.00 0.00 57.07 55.66 3gya s TYR 114 Cb -0.02 -1.97 0.06 0.00 0.42 0.00 0.00 41.96 40.45 3gya s TYR 114 CO -0.10 -0.84 0.11 0.45 0.64 0.00 0.00 175.55 175.82 3gya s SER 115 N 1.19 1.79 0.23 4.32 0.15 -1.26 -4.92 113.70 115.20 3gya s SER 115 Ca -0.05 -0.32 0.25 0.00 0.70 0.00 0.00 55.95 56.53 3gya s SER 115 Cb -0.18 -0.07 0.60 0.00 -1.71 0.00 0.00 66.02 64.65 3gya s SER 115 CO -0.06 -0.32 1.62 -0.33 1.20 0.00 0.00 173.24 175.36 3gya h GLU 116 N 8.40 0.00 0.00 5.44 5.08 -2.01 -3.39 114.58 128.10 3gya h GLU 116 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3gya h GLU 116 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3gya h GLU 116 CO 0.25 0.00 -1.38 1.04 -1.00 0.00 0.00 179.01 177.92 3gya n GLN 117 N -2.40 0.54 -2.14 2.33 3.00 -1.26 -4.77 117.38 112.68 3gya n GLN 117 Ca 0.05 -0.08 -0.13 0.00 -0.01 0.00 0.00 57.00 56.83 3gya n GLN 117 Cb 0.45 -1.21 0.05 0.00 0.00 0.00 0.00 30.24 29.53 3gya n GLN 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gya n ALA 118 N -1.80 4.01 -0.06 -1.58 0.00 -1.26 -4.86 120.51 114.96 3gya n ALA 118 Ca -0.02 -3.35 -0.08 0.00 0.00 0.00 0.00 53.44 50.00 3gya n ALA 118 Cb 0.25 -0.52 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 3gya n ALA 118 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3gya h ASP 119 N 2.16 -0.09 -0.50 0.00 3.58 -1.86 -1.53 116.42 118.19 3gya h ASP 119 Ca 0.15 0.05 0.09 0.00 0.42 0.00 0.00 57.03 57.74 3gya h ASP 119 Cb 1.43 0.10 -0.07 0.00 1.72 0.00 0.00 39.33 42.50 3gya h ASP 119 CO 0.48 -0.02 0.08 -0.65 -2.88 0.00 0.00 179.24 176.26 3gya h PRO 120 N 0.08 0.21 -0.09 0.28 0.11 -1.99 0.20 132.00 130.80 3gya h PRO 120 Ca 0.12 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.26 3gya h PRO 120 Cb 0.15 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.16 3gya h PRO 120 CO -0.19 0.14 -0.28 0.35 -0.21 0.00 0.00 178.00 177.80 3gya h PHE 121 N 0.21 -0.76 -0.21 0.65 3.57 -1.85 -0.43 116.94 118.12 3gya h PHE 121 Ca 0.25 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.64 3gya h PHE 121 Cb 0.34 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 3gya h PHE 121 CO -0.24 -0.37 -0.45 1.88 -2.23 0.00 0.00 178.31 176.90 3gya h TYR 122 N -0.37 0.63 -0.45 0.41 0.05 -0.53 -2.47 116.97 114.23 3gya h TYR 122 Ca 0.09 -0.19 -0.07 0.00 0.05 0.00 0.00 58.73 58.60 3gya h TYR 122 Cb 0.51 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 3gya h TYR 122 CO -0.36 0.88 -0.01 1.96 -1.05 0.00 0.00 178.16 179.58 3gya h GLN 123 N 0.42 0.75 0.00 4.88 4.20 -0.54 -1.42 115.11 123.41 3gya h GLN 123 Ca 0.03 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 3gya h GLN 123 Cb 0.95 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 3gya h GLN 123 CO 0.08 0.77 -0.03 0.78 -0.67 0.00 0.00 178.83 179.77 3gya h GLY 124 N 0.96 0.00 0.19 3.46 0.00 -0.61 -0.63 103.07 106.44 3gya h GLY 124 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3gya h GLY 124 CO 0.02 0.00 -0.30 1.04 0.00 0.00 0.00 176.54 177.30 3gya n LEU 125 N -3.67 1.07 0.00 3.11 4.77 -0.82 -4.95 117.00 116.51 3gya n LEU 125 Ca -0.03 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 3gya n LEU 125 Cb 0.12 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3gya n LEU 125 CO 0.27 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3gya n GLY 126 N 1.36 0.69 3.77 -0.72 0.00 -0.24 -5.08 105.19 104.96 3gya n GLY 126 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3gya n GLY 126 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gya s PHE 127 N -2.00 2.74 -0.14 1.61 0.40 -0.60 -4.90 117.98 115.09 3gya s PHE 127 Ca 0.00 1.49 -0.13 0.00 -0.60 0.00 0.00 56.93 57.70 3gya s PHE 127 Cb 0.00 -3.49 -0.05 0.00 0.51 0.00 0.00 43.02 39.99 3gya s PHE 127 CO 0.00 -1.85 0.26 -1.14 0.70 0.00 0.00 175.22 173.19 3gya s GLN 128 N -2.72 4.11 0.21 0.44 0.74 0.24 -4.25 119.66 118.42 3gya s GLN 128 Ca 0.65 0.06 -0.30 0.00 0.05 0.00 0.00 55.36 55.82 3gya s GLN 128 Cb -0.32 -3.37 -0.08 0.00 1.10 0.00 0.00 33.01 30.33 3gya s GLN 128 CO 0.38 0.36 1.22 -1.17 -0.55 0.00 0.00 175.29 175.54 3gya s LEU 129 N 0.10 4.45 0.05 3.68 2.96 -1.26 -1.23 118.68 127.42 3gya s LEU 129 Ca 0.16 2.30 0.01 0.00 -0.22 0.00 0.00 54.13 56.38 3gya s LEU 129 Cb -0.13 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 3gya s LEU 129 CO 0.04 -0.39 -0.05 0.68 -1.32 0.00 0.00 176.35 175.31 3gya s VAL 130 N -0.21 0.34 -1.04 1.68 -7.23 0.18 -4.96 120.40 109.17 3gya s VAL 130 Ca 0.52 -1.35 -0.05 0.00 -1.81 0.00 0.00 61.98 59.30 3gya s VAL 130 Cb -0.34 -0.90 0.28 0.00 0.56 0.00 0.00 36.38 35.98 3gya s VAL 130 CO 0.38 -0.66 1.16 -1.54 -0.31 0.00 0.00 175.10 174.14 3gya n SER 131 N 0.92 5.48 -4.70 4.85 3.41 -1.26 -4.45 113.62 117.87 3gya n SER 131 Ca -0.19 -3.21 -0.24 0.00 -0.26 0.00 0.00 58.87 54.97 3gya n SER 131 Cb 0.57 -1.24 -0.07 0.00 -0.26 0.00 0.00 64.21 63.21 3gya n SER 131 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3gya s GLY 132 N -0.24 2.09 0.03 5.00 0.00 -1.16 -5.05 107.32 108.00 3gya s GLY 132 Ca 0.31 -1.95 -0.19 0.00 0.00 0.00 0.00 44.72 42.89 3gya s GLY 132 CO -0.02 -1.84 1.22 -2.09 0.00 0.00 0.00 173.10 170.37 3gya h GLU 133 N 1.59 0.47 0.00 2.90 4.81 -2.04 -3.37 114.58 118.95 3gya h GLU 133 Ca -0.43 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.42 3gya h GLU 133 Cb 1.25 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.71 3gya h GLU 133 CO 0.66 1.00 -1.43 1.63 -0.73 0.00 0.00 179.01 180.15 3gya n LYS 134 N -4.29 0.34 -4.07 1.92 4.01 -1.26 -4.95 118.16 109.85 3gya n LYS 134 Ca -0.08 -0.08 -0.14 0.00 -0.51 0.00 0.00 58.31 57.50 3gya n LYS 134 Cb 0.56 -1.53 -0.11 0.00 -0.51 0.00 0.00 35.03 33.44 3gya n LYS 134 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 3gya s ILE 135 N -3.26 0.60 -0.04 -0.18 -4.36 -1.26 -4.49 121.20 108.20 3gya s ILE 135 Ca 0.00 -1.11 0.09 0.00 -0.26 0.00 0.00 60.65 59.37 3gya s ILE 135 Cb 0.15 -0.67 -0.13 0.00 1.25 0.00 0.00 42.46 43.06 3gya s ILE 135 CO 0.87 -0.37 0.13 0.35 0.24 0.00 0.00 174.94 176.17 3gya n THR 136 N 1.43 0.25 -3.94 8.37 -2.24 0.29 -2.98 114.28 115.45 3gya n THR 136 Ca -0.23 -0.28 -0.10 0.00 -2.27 0.00 0.00 64.05 61.18 3gya n THR 136 Cb 0.55 -0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.52 3gya n THR 136 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3gya s HIS 137 N -2.47 0.17 0.01 4.78 3.76 -0.79 -0.65 115.29 120.10 3gya s HIS 137 Ca -0.04 -0.36 -0.07 0.00 -0.15 0.00 0.00 55.06 54.45 3gya s HIS 137 Cb 0.05 -0.13 -0.00 0.00 1.11 0.00 0.00 32.58 33.60 3gya s HIS 137 CO 0.38 -0.19 0.12 0.95 -0.85 0.00 0.00 174.74 175.15 3gya s THR 138 N -1.23 0.09 -0.15 1.30 -4.23 -0.37 -1.66 115.64 109.39 3gya s THR 138 Ca -0.13 -0.72 -0.06 0.00 -1.18 0.00 0.00 61.69 59.59 3gya s THR 138 Cb -0.08 -0.42 0.06 0.00 1.34 0.00 0.00 72.50 73.40 3gya s THR 138 CO -0.00 -0.39 0.33 -0.22 -0.54 0.00 0.00 174.62 173.79 3gya s LEU 139 N -1.41 -0.15 0.34 4.79 2.96 -0.11 -0.60 118.68 124.50 3gya s LEU 139 Ca -0.15 0.74 -0.19 0.00 -0.22 0.00 0.00 54.13 54.31 3gya s LEU 139 Cb -0.08 1.02 -0.10 0.00 0.50 0.00 0.00 46.19 47.53 3gya s LEU 139 CO 0.01 -0.21 0.84 -1.81 -1.32 0.00 0.00 176.35 173.86 3gya s ASP 140 N 1.92 6.96 0.28 3.68 1.01 -1.26 -0.78 116.67 128.48 3gya s ASP 140 Ca -0.05 1.53 -0.04 0.00 0.71 0.00 0.00 52.55 54.70 3gya s ASP 140 Cb -0.11 -2.47 0.36 0.00 1.01 0.00 0.00 42.92 41.72 3gya s ASP 140 CO -0.11 -0.20 1.95 0.50 0.21 0.00 0.00 175.17 177.52 3gya h LYS 141 N 2.45 1.20 -0.66 8.23 3.64 -1.45 -1.50 116.57 128.48 3gya h LYS 141 Ca -0.48 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 58.80 3gya h LYS 141 Cb 1.18 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 3gya h LYS 141 CO 0.64 0.79 0.30 1.79 -2.27 0.00 0.00 179.45 180.70 3gya h THR 142 N 1.23 1.22 -0.36 1.00 1.35 -1.94 0.41 112.91 115.81 3gya h THR 142 Ca 0.34 -0.63 -0.08 0.00 -0.55 0.00 0.00 66.41 65.49 3gya h THR 142 Cb -0.12 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 66.68 3gya h THR 142 CO -0.08 0.26 -0.09 0.00 -0.25 0.00 0.00 175.52 175.36 3gya h ALA 143 N 1.40 0.49 -0.28 6.62 0.00 -1.79 -0.17 119.26 125.53 3gya h ALA 143 Ca 0.23 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3gya h ALA 143 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3gya h ALA 143 CO -0.03 0.35 0.17 0.35 0.00 0.00 0.00 179.25 180.08 3gya h PHE 144 N 0.49 0.31 -0.40 0.00 3.57 -0.73 -2.01 116.94 118.18 3gya h PHE 144 Ca 0.09 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3gya h PHE 144 Cb 0.60 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3gya h PHE 144 CO 0.05 0.18 0.22 0.00 -2.23 0.00 0.00 178.31 176.54 3gya h ALA 145 N 1.12 0.51 -0.00 2.41 0.00 -0.07 -2.72 119.26 120.51 3gya h ALA 145 Ca 0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3gya h ALA 145 Cb -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3gya h ALA 145 CO -0.05 0.03 -0.22 -0.44 0.00 0.00 0.00 179.25 178.57 3gya h ASP 146 N 0.51 0.00 0.00 0.00 5.19 -0.87 -3.51 116.42 117.74 3gya h ASP 146 Ca 0.14 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3gya h ASP 146 Cb 0.04 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.55 3gya h ASP 146 CO -0.02 0.22 0.00 -1.20 -3.12 0.00 0.00 179.24 175.11