#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gya s GLU 2 N 0.00 0.75 -0.41 0.03 2.02 -1.26 -4.85 118.70 114.97 2gya s GLU 2 Ca 0.00 -0.12 -0.23 0.00 0.02 0.00 0.00 54.97 54.63 2gya s GLU 2 Cb 0.00 -1.44 0.02 0.00 0.10 0.00 0.00 34.13 32.81 2gya s GLU 2 CO 0.00 -0.41 0.80 -0.51 0.02 0.00 0.00 175.26 175.16 2gya s LEU 3 N 1.90 4.16 -0.19 1.80 1.02 -0.69 -4.89 118.68 121.79 2gya s LEU 3 Ca 0.03 0.13 -0.29 0.00 0.02 0.00 0.00 54.13 54.02 2gya s LEU 3 Cb -0.14 -3.02 -0.03 0.00 0.02 0.00 0.00 46.19 43.01 2gya s LEU 3 CO -0.07 -0.85 1.63 0.54 0.02 0.00 0.00 176.35 177.63 2gya s VAL 4 N 3.27 3.67 0.77 -1.59 0.11 -1.26 -3.29 120.40 122.07 2gya s VAL 4 Ca 0.32 0.76 -0.12 0.00 -2.93 0.00 0.00 61.98 60.01 2gya s VAL 4 Cb -0.12 -3.65 0.05 0.00 -1.53 0.00 0.00 36.38 31.13 2gya s VAL 4 CO 0.21 -0.24 1.12 -0.76 -3.33 0.00 0.00 175.10 172.10 2gya s LEU 5 N 5.05 2.65 0.01 2.54 1.02 -1.12 -4.30 118.68 124.53 2gya s LEU 5 Ca 0.72 1.05 0.05 0.00 0.02 0.00 0.00 54.13 55.97 2gya s LEU 5 Cb -0.27 -3.68 -0.02 0.00 0.02 0.00 0.00 46.19 42.25 2gya s LEU 5 CO 0.29 -1.72 -0.15 -0.54 0.02 0.00 0.00 176.35 174.25 2gya s LYS 6 N -5.38 1.11 0.84 1.70 1.02 0.25 -2.23 119.74 117.04 2gya s LYS 6 Ca 0.60 -0.66 -0.08 0.00 0.02 0.00 0.00 55.97 55.86 2gya s LYS 6 Cb -0.12 -1.10 0.16 0.00 -0.52 0.00 0.00 37.83 36.25 2gya s LYS 6 CO 0.52 0.29 1.15 0.34 -0.92 0.00 0.00 175.35 176.73 2gya s ASP 7 N -0.74 3.74 0.47 2.83 2.15 -1.26 -0.03 116.67 123.83 2gya s ASP 7 Ca 0.04 -0.10 0.13 0.00 0.43 0.00 0.00 52.55 53.05 2gya s ASP 7 Cb -0.07 -0.10 1.09 0.00 -0.30 0.00 0.00 42.92 43.54 2gya s ASP 7 CO 0.00 -2.29 2.08 0.00 -0.17 0.00 0.00 175.17 174.79 2gya h ALA 8 N -1.06 1.94 -0.05 3.66 0.00 -1.97 0.73 119.26 122.52 2gya h ALA 8 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2gya h ALA 8 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2gya h ALA 8 CO 0.38 0.02 0.00 0.94 0.00 0.00 0.00 179.25 180.59 2gya n GLN 9 N -4.49 1.12 -3.37 0.00 7.27 -1.26 -4.73 117.38 111.93 2gya n GLN 9 Ca 0.02 -0.19 -0.24 0.00 0.07 0.00 0.00 57.00 56.66 2gya n GLN 9 Cb 0.17 -1.10 0.01 0.00 2.41 0.00 0.00 30.24 31.73 2gya n GLN 9 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2gya n SER 10 N -0.40 -4.54 -4.38 1.69 3.41 0.25 -4.88 113.62 104.78 2gya n SER 10 Ca 0.04 -0.43 -0.36 0.00 -0.26 0.00 0.00 58.87 57.86 2gya n SER 10 Cb 0.06 -3.71 0.06 0.00 -0.26 0.00 0.00 64.21 60.36 2gya n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gya n ALA 11 N -3.73 -2.22 -0.09 7.33 0.00 -1.26 -4.76 120.51 115.79 2gya n ALA 11 Ca -0.03 -0.27 0.08 0.00 0.00 0.00 0.00 53.44 53.22 2gya n ALA 11 Cb 0.56 -1.71 0.43 0.00 0.00 0.00 0.00 19.45 18.74 2gya n ALA 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2gya h LEU 12 N -0.42 0.49 -7.44 0.00 5.85 -1.89 -3.39 115.31 108.50 2gya h LEU 12 Ca -0.45 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 2gya h LEU 12 Cb 1.36 -0.10 -0.15 0.00 0.37 0.00 0.00 40.66 42.13 2gya h LEU 12 CO 0.40 0.32 -0.13 0.28 -0.34 0.00 0.00 178.44 178.97 2gya s THR 13 N -5.51 0.07 0.00 1.05 -1.32 -1.26 -4.88 115.64 103.79 2gya s THR 13 Ca -0.08 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 2gya s THR 13 Cb 0.19 -1.06 0.00 0.00 -1.51 0.00 0.00 72.50 70.12 2gya s THR 13 CO 0.75 -0.33 0.00 0.52 -2.21 0.00 0.00 174.62 173.36 2gya n VAL 14 N 0.20 0.00 -0.57 5.08 0.31 -0.95 -4.81 118.33 117.59 2gya n VAL 14 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2gya n VAL 14 Cb 0.61 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 2gya n VAL 14 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2gya n SER 15 N 0.00 0.00 -3.68 4.52 7.64 -1.26 -4.72 113.62 116.12 2gya n SER 15 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 2gya n SER 15 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2gya n SER 15 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2gya s GLU 16 N 1.03 0.85 0.21 1.43 -1.05 -1.25 -2.81 118.70 117.11 2gya s GLU 16 Ca 0.00 -0.20 -0.19 0.00 -0.15 0.00 0.00 54.97 54.43 2gya s GLU 16 Cb 0.00 0.38 0.07 0.00 -0.44 0.00 0.00 34.13 34.14 2gya s GLU 16 CO 0.00 -0.27 0.93 -2.37 0.95 0.00 0.00 175.26 174.50 2gya n THR 17 N 0.85 0.00 0.00 1.83 5.66 -1.21 -4.87 114.28 116.55 2gya n THR 17 Ca -0.20 -0.61 0.00 0.00 -3.05 0.00 0.00 64.05 60.19 2gya n THR 17 Cb 0.58 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 70.13 2gya n THR 17 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2gya n THR 18 N -0.65 0.00 -4.70 1.09 5.66 -1.26 -1.70 114.28 112.72 2gya n THR 18 Ca -0.03 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.73 2gya n THR 18 Cb 0.55 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.17 2gya n THR 18 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2gya s PHE 19 N -2.00 1.46 -0.38 1.09 5.36 -1.26 -5.08 117.98 117.16 2gya s PHE 19 Ca 0.00 -0.38 -0.08 0.00 -0.96 0.00 0.00 56.93 55.50 2gya s PHE 19 Cb 0.00 -0.98 0.05 0.00 -0.34 0.00 0.00 43.02 41.75 2gya s PHE 19 CO 0.00 -0.12 0.18 0.20 -1.46 0.00 0.00 175.22 174.02 2gya s GLY 20 N 0.01 1.91 -0.30 13.12 0.00 -1.26 -4.72 107.32 116.08 2gya s GLY 20 Ca -0.02 -1.90 -0.15 0.00 0.00 0.00 0.00 44.72 42.65 2gya s GLY 20 CO 0.01 0.86 1.11 -1.60 0.00 0.00 0.00 173.10 173.48 2gya s ARG 21 N 1.44 0.15 -0.85 2.90 6.06 -1.26 -5.04 118.95 122.35 2gya s ARG 21 Ca 0.01 0.30 -0.09 0.00 -2.50 0.00 0.00 55.73 53.45 2gya s ARG 21 Cb -0.21 0.17 -0.28 0.00 0.06 0.00 0.00 34.95 34.69 2gya s ARG 21 CO 0.03 -0.13 1.85 -3.47 -2.50 0.00 0.00 175.30 171.07 2gya n ASP 22 N 5.29 -1.17 -4.72 -2.12 2.03 -1.26 -4.70 116.55 109.90 2gya n ASP 22 Ca -0.08 -0.43 -0.43 0.00 0.52 0.00 0.00 54.79 54.38 2gya n ASP 22 Cb 0.54 -0.47 -0.01 0.00 -0.72 0.00 0.00 41.12 40.46 2gya n ASP 22 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2gya n PHE 23 N 4.89 2.51 -3.99 -0.67 7.35 -1.26 -4.87 117.46 121.43 2gya n PHE 23 Ca 0.58 0.44 -0.30 0.00 -0.76 0.00 0.00 57.45 57.41 2gya n PHE 23 Cb 0.11 -2.49 -0.16 0.00 0.35 0.00 0.00 39.48 37.30 2gya n PHE 23 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2gya s ASN 24 N 0.03 3.16 0.00 -2.13 0.01 -1.26 -4.91 114.94 109.84 2gya s ASN 24 Ca 0.60 -0.77 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 2gya s ASN 24 Cb -0.55 -1.18 0.00 0.00 0.41 0.00 0.00 41.25 39.93 2gya s ASN 24 CO 0.57 -0.13 0.70 1.21 -1.51 0.00 0.00 177.10 177.94 2gya n GLU 25 N 4.73 0.71 -0.10 -0.60 2.13 -1.26 0.21 120.64 126.46 2gya n GLU 25 Ca -0.15 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.75 2gya n GLU 25 Cb 0.47 -1.01 0.12 0.00 0.27 0.00 0.00 31.44 31.29 2gya n GLU 25 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gya n ALA 26 N -0.48 2.37 -2.28 4.31 0.00 -1.26 -4.33 120.51 118.84 2gya n ALA 26 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 53.44 52.57 2gya n ALA 26 Cb 0.01 -0.54 0.07 0.00 0.00 0.00 0.00 19.45 18.99 2gya n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2gya n LEU 27 N 0.85 2.17 -2.75 0.00 7.99 0.57 -4.91 117.00 120.91 2gya n LEU 27 Ca 0.12 -3.14 -0.09 0.00 -0.01 0.00 0.00 56.01 52.88 2gya n LEU 27 Cb 0.42 -0.07 0.09 0.00 -0.11 0.00 0.00 43.42 43.75 2gya n LEU 27 CO 0.10 1.10 0.32 1.33 -1.51 0.00 0.00 177.39 178.73 2gya n VAL 28 N -0.34 -0.00 0.00 4.08 0.24 -1.21 -4.55 118.33 116.55 2gya n VAL 28 Ca 0.15 -1.64 0.00 0.00 -2.04 0.00 0.00 64.34 60.82 2gya n VAL 28 Cb 0.93 1.39 0.00 0.00 -1.47 0.00 0.00 33.84 34.69 2gya n VAL 28 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2gya n HIS 29 N 0.30 -1.36 -0.04 6.34 8.25 -1.26 -4.19 115.22 123.26 2gya n HIS 29 Ca 0.06 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.49 2gya n HIS 29 Cb 0.71 0.40 -0.01 0.00 1.12 0.00 0.00 29.99 32.21 2gya n HIS 29 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2gya n GLN 30 N -2.31 0.23 0.00 -0.41 7.27 -1.26 -4.59 117.38 116.31 2gya n GLN 30 Ca 0.00 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.35 2gya n GLN 30 Cb 0.00 -1.11 0.00 0.00 2.41 0.00 0.00 30.24 31.54 2gya n GLN 30 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2gya n VAL 31 N -3.39 0.00 0.72 1.69 0.31 -1.26 0.65 118.33 117.05 2gya n VAL 31 Ca -0.04 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.40 2gya n VAL 31 Cb 0.17 0.00 0.48 0.00 -0.91 0.00 0.00 33.84 33.57 2gya n VAL 31 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2gya n VAL 32 N -0.77 0.49 0.09 2.52 0.31 -1.26 -0.23 118.33 119.47 2gya n VAL 32 Ca 0.00 0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.30 2gya n VAL 32 Cb 0.00 -0.74 -0.03 0.00 -0.91 0.00 0.00 33.84 32.16 2gya n VAL 32 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2gya h VAL 33 N 0.00 1.53 -0.04 2.52 -1.51 1.95 1.89 116.25 122.59 2gya h VAL 33 Ca 0.00 -2.77 -0.16 0.00 -1.23 0.00 0.00 66.70 62.54 2gya h VAL 33 Cb 0.44 2.57 -0.01 0.00 -2.13 0.00 0.00 31.29 32.15 2gya h VAL 33 CO 0.00 0.80 -0.69 0.00 -1.23 0.00 0.00 177.57 176.45 2gya h ALA 34 N 0.95 0.75 -0.18 5.19 0.00 -0.66 0.52 119.26 125.83 2gya h ALA 34 Ca -0.05 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.19 2gya h ALA 34 Cb 1.58 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2gya h ALA 34 CO 0.14 0.79 -0.15 1.88 0.00 0.00 0.00 179.25 181.91 2gya h TYR 35 N 0.14 0.51 -0.36 0.00 0.05 0.12 1.54 116.97 118.97 2gya h TYR 35 Ca -0.02 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.61 2gya h TYR 35 Cb 1.23 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.85 2gya h TYR 35 CO 0.02 0.77 0.17 0.00 -1.05 0.00 0.00 178.16 178.08 2gya h ALA 36 N 0.65 1.63 0.00 3.88 0.00 0.34 0.16 119.26 125.92 2gya h ALA 36 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2gya h ALA 36 Cb 0.68 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2gya h ALA 36 CO 0.04 0.30 -0.29 0.00 0.00 0.00 0.00 179.25 179.30 2gya h ALA 37 N 1.69 0.00 -0.71 0.00 0.00 0.27 -3.37 119.26 117.15 2gya h ALA 37 Ca 0.13 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 54.82 2gya h ALA 37 Cb 0.06 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2gya h ALA 37 CO -0.02 0.29 0.47 0.78 0.00 0.00 0.00 179.25 180.77 2gya h GLY 38 N -0.86 0.83 2.00 0.00 0.00 0.22 -0.87 103.07 104.39 2gya h GLY 38 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2gya h GLY 38 CO 0.00 0.14 0.00 0.00 0.00 0.00 0.00 176.54 176.68 2gya h ALA 39 N 1.64 1.00 -2.88 3.60 0.00 -0.79 -3.37 119.26 118.46 2gya h ALA 39 Ca 0.32 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.50 2gya h ALA 39 Cb 0.48 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.97 2gya h ALA 39 CO -0.11 0.00 -0.24 1.03 0.00 0.00 0.00 179.25 179.93 2gya s ARG 40 N -3.84 2.82 0.49 0.00 0.52 -0.33 -5.02 118.95 113.60 2gya s ARG 40 Ca -0.02 -2.24 0.00 0.00 -0.52 0.00 0.00 55.73 52.96 2gya s ARG 40 Cb 0.10 -4.00 0.00 0.00 0.52 0.00 0.00 34.95 31.58 2gya s ARG 40 CO 0.43 -1.22 0.00 1.04 0.02 0.00 0.00 175.30 175.57 2gya n GLN 41 N 4.14 -2.78 0.00 3.54 1.13 -1.26 -4.98 117.38 117.16 2gya n GLN 41 Ca 0.04 2.25 0.00 0.00 -1.94 0.00 0.00 57.00 57.35 2gya n GLN 41 Cb 0.41 -3.11 0.00 0.00 0.11 0.00 0.00 30.24 27.65 2gya n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gya n GLY 42 N -3.53 -0.69 3.56 1.08 0.00 -1.26 -4.65 105.19 99.70 2gya n GLY 42 Ca -0.06 0.78 -0.34 0.00 0.00 0.00 0.00 46.02 46.41 2gya n GLY 42 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2gya s THR 43 N 0.00 3.48 0.00 2.61 -1.32 -1.26 -4.62 115.64 114.52 2gya s THR 43 Ca 0.00 -0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 2gya s THR 43 Cb 0.00 -4.15 0.00 0.00 -1.51 0.00 0.00 72.50 66.84 2gya s THR 43 CO 0.00 -1.10 0.00 0.54 -2.21 0.00 0.00 174.62 171.85 2gya n ARG 44 N 9.03 0.00 0.00 7.08 1.74 -1.26 -4.49 116.66 128.77 2gya n ARG 44 Ca 0.29 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 2gya n ARG 44 Cb 0.49 -0.35 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 2gya n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gya n ALA 45 N -3.00 0.00 0.22 7.54 0.00 -1.26 -4.59 120.51 119.42 2gya n ALA 45 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2gya n ALA 45 Cb 0.00 0.00 0.51 0.00 0.00 0.00 0.00 19.45 19.96 2gya n ALA 45 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2gya h GLN 46 N 0.00 0.00 -5.21 0.00 4.15 -1.93 -3.37 115.11 108.74 2gya h GLN 46 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2gya h GLN 46 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2gya h GLN 46 CO 0.00 0.25 0.28 1.63 -1.93 0.00 0.00 178.83 179.06 2gya n LYS 47 N -3.63 0.34 0.00 1.69 4.76 -1.26 -4.65 118.16 115.41 2gya n LYS 47 Ca -0.01 -0.95 0.00 0.00 -2.87 0.00 0.00 58.31 54.48 2gya n LYS 47 Cb 0.38 -3.33 0.00 0.00 -1.84 0.00 0.00 35.03 30.23 2gya n LYS 47 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 2gya n THR 48 N 8.31 0.00 0.87 -0.18 5.66 -1.26 -5.01 114.28 122.67 2gya n THR 48 Ca 0.45 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.49 2gya n THR 48 Cb 0.41 0.00 0.13 0.00 -1.55 0.00 0.00 70.33 69.33 2gya n THR 48 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 2gya n ARG 49 N -0.37 1.89 -1.59 1.09 1.85 -1.26 -4.95 116.66 113.31 2gya n ARG 49 Ca 0.00 -1.08 -0.46 0.00 -1.00 0.00 0.00 57.85 55.31 2gya n ARG 49 Cb 0.00 -1.37 -0.02 0.00 -1.05 0.00 0.00 32.46 30.01 2gya n ARG 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2gya n ALA 50 N 0.31 -0.34 -2.32 2.89 0.00 -1.26 -4.99 120.51 114.81 2gya n ALA 50 Ca 0.10 0.41 -0.17 0.00 0.00 0.00 0.00 53.44 53.78 2gya n ALA 50 Cb 0.34 -2.03 -0.10 0.00 0.00 0.00 0.00 19.45 17.67 2gya n ALA 50 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2gya s GLU 51 N -1.18 1.50 -0.08 0.00 0.41 0.77 -4.79 118.70 115.33 2gya s GLU 51 Ca 0.63 -1.84 -0.02 0.00 -0.41 0.00 0.00 54.97 53.33 2gya s GLU 51 Cb -0.74 -0.11 -0.03 0.00 -1.78 0.00 0.00 34.13 31.46 2gya s GLU 51 CO 0.57 -0.40 0.01 0.08 -0.49 0.00 0.00 175.26 175.04 2gya s VAL 52 N -3.70 4.40 -0.01 2.63 1.01 -1.26 -2.28 120.40 121.19 2gya s VAL 52 Ca 0.37 -0.23 0.11 0.00 0.00 0.00 0.00 61.98 62.23 2gya s VAL 52 Cb 0.06 -2.86 -0.18 0.00 0.00 0.00 0.00 36.38 33.40 2gya s VAL 52 CO 0.16 0.60 1.01 0.71 0.00 0.00 0.00 175.10 177.57 2gya h THR 53 N 4.11 1.12 0.00 3.92 1.35 -1.92 -3.50 112.91 117.99 2gya h THR 53 Ca -0.51 -2.82 0.00 0.00 -0.55 0.00 0.00 66.41 62.53 2gya h THR 53 Cb 1.19 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 2gya h THR 53 CO 0.55 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 177.07 2gya n GLY 54 N 1.42 -1.77 3.78 5.82 0.00 -1.26 -4.89 105.19 108.29 2gya n GLY 54 Ca -0.07 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 2gya n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gya s SER 55 N -4.00 4.54 0.00 1.61 1.04 -1.26 -4.05 113.70 111.58 2gya s SER 55 Ca 0.00 1.67 0.00 0.00 0.48 0.00 0.00 55.95 58.10 2gya s SER 55 Cb 0.00 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2gya s SER 55 CO 0.00 -1.99 0.00 0.61 0.98 0.00 0.00 173.24 172.84 2gya n GLY 56 N -1.47 0.72 0.00 7.32 0.00 -1.26 -5.01 105.19 105.49 2gya n GLY 56 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2gya n GLY 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gya n LYS 57 N -2.51 0.00 -4.24 1.61 3.00 -1.26 -4.83 118.16 109.93 2gya n LYS 57 Ca 0.00 0.15 -0.17 0.00 -0.00 0.00 0.00 58.31 58.30 2gya n LYS 57 Cb 0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 35.03 33.96 2gya n LYS 57 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2gya s LYS 58 N -0.86 0.64 0.00 1.64 2.20 -1.26 -5.02 119.74 117.07 2gya s LYS 58 Ca 0.00 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 2gya s LYS 58 Cb 0.00 -0.58 0.00 0.00 -1.51 0.00 0.00 37.83 35.74 2gya s LYS 58 CO 0.00 0.15 0.91 -2.30 -0.36 0.00 0.00 175.35 173.74 2gya n PRO 59 N 2.38 0.00 0.00 4.03 -0.02 -1.26 -4.53 135.00 135.60 2gya n PRO 59 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2gya n PRO 59 Cb 0.56 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 2gya n PRO 59 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2gya n TRP 60 N 4.20 0.00 -2.40 6.00 -0.00 -1.26 -5.11 117.44 118.88 2gya n TRP 60 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.07 2gya n TRP 60 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.74 2gya n TRP 60 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 177.69 178.19 2gya s ARG 61 N -2.00 3.51 -0.31 5.87 3.00 -1.26 -4.79 118.95 122.97 2gya s ARG 61 Ca 0.00 0.73 0.01 0.00 -1.00 0.00 0.00 55.73 55.47 2gya s ARG 61 Cb 0.00 -4.04 0.09 0.00 0.00 0.00 0.00 34.95 31.00 2gya s ARG 61 CO 0.00 -1.66 0.05 -0.65 0.00 0.00 0.00 175.30 173.04 2gya s GLN 62 N 5.05 1.21 0.17 5.12 -0.21 -1.26 -5.10 119.66 124.64 2gya s GLN 62 Ca 0.57 -1.39 -0.33 0.00 0.02 0.00 0.00 55.36 54.23 2gya s GLN 62 Cb -0.12 -2.61 -0.15 0.00 1.00 0.00 0.00 33.01 31.13 2gya s GLN 62 CO 0.30 -0.89 1.25 1.63 -2.12 0.00 0.00 175.29 175.47 2gya n LYS 63 N 4.57 1.38 -1.60 2.91 5.02 -1.26 -4.71 118.16 124.47 2gya n LYS 63 Ca -0.02 0.49 -0.37 0.00 -2.02 0.00 0.00 58.31 56.39 2gya n LYS 63 Cb 0.42 -2.05 -0.05 0.00 -0.02 0.00 0.00 35.03 33.33 2gya n LYS 63 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gya n GLY 64 N 2.17 2.03 3.96 0.72 0.00 -1.26 -4.90 105.19 107.90 2gya n GLY 64 Ca 0.15 -1.07 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 2gya n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gya s THR 65 N 7.24 3.98 -0.98 2.61 -4.23 -1.26 -4.88 115.64 118.11 2gya s THR 65 Ca 0.61 -0.53 -0.25 0.00 -1.18 0.00 0.00 61.69 60.34 2gya s THR 65 Cb 0.08 -3.46 -0.18 0.00 1.34 0.00 0.00 72.50 70.27 2gya s THR 65 CO 0.12 -0.32 1.97 0.61 -0.54 0.00 0.00 174.62 176.46 2gya n GLY 66 N -2.06 0.57 3.94 3.99 0.00 -1.26 -4.31 105.19 106.06 2gya n GLY 66 Ca 0.01 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 2gya n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gya s ARG 67 N 7.15 2.23 -0.30 1.61 1.81 -0.97 -1.31 118.95 129.18 2gya s ARG 67 Ca 0.72 -0.35 -0.16 0.00 -1.72 0.00 0.00 55.73 54.22 2gya s ARG 67 Cb 0.01 -2.22 0.19 0.00 -0.45 0.00 0.00 34.95 32.49 2gya s ARG 67 CO 0.18 -1.17 1.19 0.00 -0.68 0.00 0.00 175.30 174.81 2gya s ALA 68 N -3.18 -2.65 0.00 2.13 0.00 -1.08 -0.16 121.76 116.82 2gya s ALA 68 Ca 0.60 2.02 0.00 0.00 0.00 0.00 0.00 51.96 54.57 2gya s ALA 68 Cb -0.11 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.05 2gya s ALA 68 CO 0.44 -0.41 0.00 0.54 0.00 0.00 0.00 175.76 176.33 2gya n ARG 69 N 3.44 0.00 0.00 0.00 1.74 -1.26 -1.53 116.66 119.05 2gya n ARG 69 Ca -0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 2gya n ARG 69 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 2gya n ARG 69 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2gya n SER 70 N 1.41 0.00 -3.88 0.55 3.41 -1.26 -5.15 113.62 108.70 2gya n SER 70 Ca 0.00 -0.05 -0.12 0.00 -0.26 0.00 0.00 58.87 58.45 2gya n SER 70 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 2gya n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2gya s GLY 71 N 0.00 0.03 0.49 5.00 0.00 -0.59 -5.15 107.32 107.10 2gya s GLY 71 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 44.72 44.46 2gya s GLY 71 CO 0.00 -0.08 1.02 -1.35 0.00 0.00 0.00 173.10 172.69 2gya s SER 72 N -0.21 6.42 0.04 1.64 1.04 -1.26 -2.65 113.70 118.72 2gya s SER 72 Ca -0.02 1.85 -0.01 0.00 0.48 0.00 0.00 55.95 58.25 2gya s SER 72 Cb -0.01 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2gya s SER 72 CO -0.00 -0.73 0.07 2.30 0.98 0.00 0.00 173.24 175.86 2gya n ILE 73 N -1.06 0.00 0.00 -1.02 -6.64 -0.43 -4.73 119.36 105.48 2gya n ILE 73 Ca 0.09 -0.19 0.00 0.00 -1.77 0.00 0.00 62.75 60.88 2gya n ILE 73 Cb 0.53 0.13 0.00 0.00 -1.44 0.00 0.00 39.64 38.86 2gya n ILE 73 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 2gya n LYS 74 N -0.07 0.00 -1.68 6.28 4.81 -1.26 -4.47 118.16 121.78 2gya n LYS 74 Ca -0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 56.98 2gya n LYS 74 Cb 0.07 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.08 2gya n LYS 74 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2gya n SER 75 N 0.98 3.55 0.26 3.14 2.88 -1.26 0.75 113.62 123.92 2gya n SER 75 Ca 0.00 1.01 0.12 0.00 -1.33 0.00 0.00 58.87 58.67 2gya n SER 75 Cb 0.00 -1.45 0.64 0.00 -0.75 0.00 0.00 64.21 62.65 2gya n SER 75 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2gya h PRO 76 N 7.93 0.00 -0.33 -1.46 0.11 -1.89 -1.93 132.00 134.42 2gya h PRO 76 Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 2gya h PRO 76 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2gya h PRO 76 CO 0.93 0.00 -0.10 0.82 -0.21 0.00 0.00 178.00 179.44 2gya h ILE 77 N 0.00 1.28 -2.74 4.15 1.08 -1.89 -3.45 117.51 115.95 2gya h ILE 77 Ca 0.00 -1.17 -0.58 0.00 -0.39 0.00 0.00 64.86 62.73 2gya h ILE 77 Cb 0.58 1.35 -0.04 0.00 -3.07 0.00 0.00 36.82 35.65 2gya h ILE 77 CO 0.00 0.38 -0.50 0.86 -0.69 0.00 0.00 178.15 178.20 2gya s TRP 78 N -4.74 3.43 1.17 1.37 -0.11 -0.73 -5.07 118.94 114.27 2gya s TRP 78 Ca -0.13 0.14 -0.17 0.00 1.22 0.00 0.00 56.10 57.16 2gya s TRP 78 Cb 0.09 -1.67 0.20 0.00 -1.50 0.00 0.00 33.47 30.58 2gya s TRP 78 CO 0.80 0.54 0.39 2.89 -4.62 0.00 0.00 176.95 176.95 2gya n ARG 79 N -0.17 -2.31 -0.36 5.86 -4.01 -1.26 -2.31 116.66 112.10 2gya n ARG 79 Ca -0.07 -0.66 0.00 0.00 -1.04 0.00 0.00 57.85 56.08 2gya n ARG 79 Cb 0.53 -1.82 0.00 0.00 -3.04 0.00 0.00 32.46 28.13 2gya n ARG 79 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 2gya n SER 80 N -2.98 0.00 -4.37 2.89 3.41 -1.26 -4.61 113.62 106.69 2gya n SER 80 Ca 0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.34 2gya n SER 80 Cb 0.57 -2.10 0.16 0.00 -0.26 0.00 0.00 64.21 62.58 2gya n SER 80 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2gya s GLY 81 N -1.84 1.72 0.29 5.00 0.00 -0.98 -4.09 107.32 107.42 2gya s GLY 81 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 44.72 43.39 2gya s GLY 81 CO 0.00 -0.36 1.14 -0.32 0.00 0.00 0.00 173.10 173.56 2gya s GLY 82 N -4.79 3.05 0.36 0.20 0.00 0.23 -4.74 107.32 101.63 2gya s GLY 82 Ca 0.70 0.96 -0.28 0.00 0.00 0.00 0.00 44.72 46.11 2gya s GLY 82 CO 0.52 1.58 1.34 0.14 0.00 0.00 0.00 173.10 176.67 2gya s VAL 83 N -1.15 2.57 -0.96 1.40 1.01 -1.26 -3.92 120.40 118.09 2gya s VAL 83 Ca 0.45 0.56 0.08 0.00 0.00 0.00 0.00 61.98 63.07 2gya s VAL 83 Cb -0.33 -3.35 0.37 0.00 0.00 0.00 0.00 36.38 33.07 2gya s VAL 83 CO 0.43 0.12 1.14 1.07 0.00 0.00 0.00 175.10 177.86 2gya n THR 84 N 0.58 1.12 -0.50 3.92 5.66 -1.26 -4.91 114.28 118.89 2gya n THR 84 Ca 0.01 -0.62 0.00 0.00 -3.05 0.00 0.00 64.05 60.39 2gya n THR 84 Cb 0.42 -0.25 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 2gya n THR 84 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2gya n PHE 85 N 0.36 0.00 -3.44 1.09 3.01 -1.26 -5.16 117.46 112.05 2gya n PHE 85 Ca 0.13 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.49 2gya n PHE 85 Cb 0.61 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.99 2gya n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2gya s ALA 86 N -2.33 -0.97 0.00 4.37 0.00 -1.26 -5.03 121.76 116.54 2gya s ALA 86 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2gya s ALA 86 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.59 2gya s ALA 86 CO 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 175.76 174.64 2gya n ALA 87 N 5.36 0.00 0.00 0.00 0.00 -1.26 -5.15 120.51 119.46 2gya n ALA 87 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2gya n ALA 87 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2gya n ALA 87 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2gya n ARG 88 N 0.00 0.00 0.16 0.00 -4.01 -1.26 -5.05 116.66 106.50 2gya n ARG 88 Ca 0.00 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.68 2gya n ARG 88 Cb 0.00 0.00 -0.08 0.00 -3.04 0.00 0.00 32.46 29.34 2gya n ARG 88 CO 0.00 0.00 0.00 -1.00 -3.04 0.00 0.00 177.63 173.59 2gya h PRO 89 N 0.00 -0.40 0.00 2.89 0.13 -1.96 -3.47 132.00 129.19 2gya h PRO 89 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2gya h PRO 89 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 2gya h PRO 89 CO 0.00 -0.09 0.00 1.04 -0.23 0.00 0.00 178.00 178.72 2gya n GLN 90 N -5.13 3.36 0.00 0.86 3.00 -1.26 -4.42 117.38 113.79 2gya n GLN 90 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2gya n GLN 90 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.50 2gya n GLN 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2gya n ASP 91 N 0.00 0.00 -3.97 1.08 5.75 -1.26 -4.70 116.55 113.44 2gya n ASP 91 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.39 2gya n ASP 91 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 2gya n ASP 91 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gya n HIS 92 N 0.00 2.52 -4.55 2.11 1.44 -1.26 -4.84 115.22 110.63 2gya n HIS 92 Ca 0.00 -1.93 -0.26 0.00 -2.01 0.00 0.00 57.72 53.52 2gya n HIS 92 Cb 0.00 -2.13 -0.09 0.00 0.12 0.00 0.00 29.99 27.89 2gya n HIS 92 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2gya s SER 93 N 5.13 3.06 -0.42 4.39 0.15 -1.26 -4.87 113.70 119.87 2gya s SER 93 Ca 0.59 -1.52 -0.19 0.00 0.70 0.00 0.00 55.95 55.53 2gya s SER 93 Cb 0.09 0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.58 2gya s SER 93 CO 0.10 -0.73 0.57 -1.10 1.20 0.00 0.00 173.24 173.28 2gya s GLN 94 N -3.81 3.26 0.82 5.44 -1.52 -1.26 -4.98 119.66 117.61 2gya s GLN 94 Ca 0.27 -0.46 -0.13 0.00 -1.95 0.00 0.00 55.36 53.09 2gya s GLN 94 Cb 0.06 -3.94 0.09 0.00 -0.22 0.00 0.00 33.01 29.00 2gya s GLN 94 CO 0.13 -0.92 1.20 0.15 -0.25 0.00 0.00 175.29 175.60 2gya s LYS 95 N 2.57 1.54 0.00 2.91 1.02 -1.26 -5.09 119.74 121.43 2gya s LYS 95 Ca 0.19 1.75 0.00 0.00 0.02 0.00 0.00 55.97 57.93 2gya s LYS 95 Cb -0.15 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 2gya s LYS 95 CO 0.17 -2.28 0.00 1.55 -0.92 0.00 0.00 175.35 173.86 2gya n VAL 96 N -3.41 0.00 -3.88 3.17 3.14 -1.26 -5.15 118.33 110.93 2gya n VAL 96 Ca 0.13 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.42 2gya n VAL 96 Cb 0.51 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.27 2gya n VAL 96 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2gya n ASN 97 N 0.00 -0.92 0.06 6.55 2.85 -1.26 -5.16 115.26 117.39 2gya n ASN 97 Ca 0.00 -2.25 0.08 0.00 -0.11 0.00 0.00 54.58 52.30 2gya n ASN 97 Cb 0.00 1.70 0.53 0.00 1.24 0.00 0.00 39.78 43.25 2gya n ASN 97 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2gya h LYS 98 N 0.00 0.30 0.04 1.20 6.56 -2.04 0.23 116.57 122.86 2gya h LYS 98 Ca -0.18 -0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.33 2gya h LYS 98 Cb 0.79 -0.07 0.01 0.00 -0.57 0.00 0.00 32.23 32.39 2gya h LYS 98 CO 0.25 0.20 -0.28 0.87 -2.06 0.00 0.00 179.45 178.43 2gya h LYS 99 N 0.31 0.12 -0.41 3.15 6.56 -2.02 -2.89 116.57 121.39 2gya h LYS 99 Ca 0.14 -0.18 -0.11 0.00 -1.06 0.00 0.00 60.65 59.44 2gya h LYS 99 Cb 0.17 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.88 2gya h LYS 99 CO -0.03 1.04 -0.18 0.52 -2.06 0.00 0.00 179.45 178.75 2gya h MET 100 N -0.72 0.77 -0.73 3.15 2.86 -1.91 3.37 114.93 121.73 2gya h MET 100 Ca -0.05 -0.29 0.04 0.00 -2.06 0.00 0.00 59.70 57.34 2gya h MET 100 Cb 1.17 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.74 2gya h MET 100 CO 0.05 0.90 0.45 -0.92 1.06 0.00 0.00 176.91 178.45 2gya h TYR 101 N 0.69 0.84 0.06 -0.22 3.20 -0.66 0.67 116.97 121.55 2gya h TYR 101 Ca 0.10 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.82 2gya h TYR 101 Cb 0.68 -0.27 0.02 0.00 1.54 0.00 0.00 36.73 38.69 2gya h TYR 101 CO 0.03 0.47 -0.73 0.00 -1.64 0.00 0.00 178.16 176.29 2gya h ARG 102 N 0.87 0.39 -0.85 1.82 3.08 -1.17 -2.64 114.38 115.87 2gya h ARG 102 Ca 0.30 -0.50 0.19 0.00 0.07 0.00 0.00 59.98 60.05 2gya h ARG 102 Cb 0.06 0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 2gya h ARG 102 CO -0.13 1.17 0.57 0.78 -1.07 0.00 0.00 179.97 181.30 2gya h GLY 103 N -0.17 0.73 1.92 0.04 0.00 0.68 1.72 103.07 108.00 2gya h GLY 103 Ca -0.11 -0.16 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 2gya h GLY 103 CO 0.14 0.01 -0.66 0.00 0.00 0.00 0.00 176.54 176.03 2gya h ALA 104 N 1.62 0.87 -0.32 3.60 0.00 0.37 0.28 119.26 125.68 2gya h ALA 104 Ca 0.44 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 2gya h ALA 104 Cb 1.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2gya h ALA 104 CO -0.14 0.80 -0.42 1.25 0.00 0.00 0.00 179.25 180.74 2gya h LEU 105 N 0.05 0.86 0.25 0.00 7.12 0.27 0.13 115.31 124.00 2gya h LEU 105 Ca -0.01 -0.40 -0.01 0.00 0.13 0.00 0.00 57.88 57.59 2gya h LEU 105 Cb 1.17 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.06 2gya h LEU 105 CO 0.09 1.16 -0.12 0.11 -0.13 0.00 0.00 178.44 179.55 2gya h LYS 106 N 0.65 -0.33 -0.94 1.25 6.56 0.23 -2.90 116.57 121.10 2gya h LYS 106 Ca 0.05 0.02 0.19 0.00 -1.06 0.00 0.00 60.65 59.85 2gya h LYS 106 Cb 0.98 0.07 -0.11 0.00 -0.57 0.00 0.00 32.23 32.61 2gya h LYS 106 CO 0.09 -0.05 0.51 0.66 -2.06 0.00 0.00 179.45 178.61 2gya h SER 107 N -1.00 0.59 -0.20 0.86 4.64 -0.48 -0.51 113.55 117.46 2gya h SER 107 Ca -0.03 0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2gya h SER 107 Cb 0.43 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2gya h SER 107 CO 0.06 0.17 0.11 -0.29 -0.87 0.00 0.00 176.83 176.00 2gya h ILE 108 N 0.61 1.11 -0.79 0.95 -0.00 -0.80 -0.84 117.51 117.75 2gya h ILE 108 Ca 0.55 -0.30 0.23 0.00 -0.00 0.00 0.00 64.86 65.34 2gya h ILE 108 Cb 0.92 0.95 -0.03 0.00 -0.00 0.00 0.00 36.82 38.67 2gya h ILE 108 CO -0.43 0.11 0.61 -0.07 -0.00 0.00 0.00 178.15 178.37 2gya h LEU 109 N 0.21 0.00 0.03 2.19 4.07 -0.88 0.76 115.31 121.69 2gya h LEU 109 Ca 0.07 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.80 2gya h LEU 109 Cb 0.08 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 2gya h LEU 109 CO -0.01 0.00 -1.09 -1.28 -1.08 0.00 0.00 178.44 174.98 2gya h SER 110 N 0.00 0.09 -0.51 -0.43 0.87 -0.81 -3.23 113.55 109.52 2gya h SER 110 Ca 0.38 -0.10 0.15 0.00 -1.23 0.00 0.00 61.79 60.99 2gya h SER 110 Cb 1.60 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.51 2gya h SER 110 CO -0.00 1.08 0.40 -0.08 -0.53 0.00 0.00 176.83 177.69 2gya h GLU 111 N 0.02 0.00 -0.21 2.24 4.81 0.18 0.50 114.58 122.11 2gya h GLU 111 Ca -0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2gya h GLU 111 Cb 1.83 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.19 2gya h GLU 111 CO 0.14 0.00 0.06 -0.07 -0.73 0.00 0.00 179.01 178.41 2gya h LEU 112 N 0.00 0.26 -2.01 1.64 4.07 -1.55 -2.29 115.31 115.43 2gya h LEU 112 Ca 0.24 -0.02 -0.06 0.00 0.08 0.00 0.00 57.88 58.12 2gya h LEU 112 Cb 1.04 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.68 2gya h LEU 112 CO -0.00 0.27 0.07 1.33 -1.08 0.00 0.00 178.44 179.03 2gya n VAL 113 N -4.42 1.05 -4.27 1.22 0.24 0.17 -4.56 118.33 107.75 2gya n VAL 113 Ca 0.00 -0.29 -0.34 0.00 -2.04 0.00 0.00 64.34 61.67 2gya n VAL 113 Cb 0.14 -0.75 -0.09 0.00 -1.47 0.00 0.00 33.84 31.67 2gya n VAL 113 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2gya s ARG 114 N -0.81 2.99 0.08 7.34 6.06 -0.86 -5.05 118.95 128.70 2gya s ARG 114 Ca 0.09 -0.44 -0.24 0.00 -2.50 0.00 0.00 55.73 52.64 2gya s ARG 114 Cb 0.08 -2.81 -0.10 0.00 0.06 0.00 0.00 34.95 32.18 2gya s ARG 114 CO 0.02 0.68 1.39 1.96 -2.50 0.00 0.00 175.30 176.86 2gya h GLN 115 N 4.80 -0.46 -3.02 5.12 7.50 -1.88 -2.97 115.11 124.20 2gya h GLN 115 Ca -0.50 0.03 -0.52 0.00 0.50 0.00 0.00 58.65 58.15 2gya h GLN 115 Cb 1.19 0.10 0.02 0.00 0.05 0.00 0.00 27.48 28.84 2gya h GLN 115 CO 0.56 -0.30 2.99 -0.25 -1.50 0.00 0.00 178.83 180.33 2gya n ASP 116 N -4.58 7.14 0.00 1.46 8.00 -1.26 -4.75 116.55 122.56 2gya n ASP 116 Ca -0.05 -2.47 0.00 0.00 0.71 0.00 0.00 54.79 52.98 2gya n ASP 116 Cb 0.28 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 2gya n ASP 116 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2gya n ARG 117 N 3.64 0.00 0.00 -1.24 5.12 -1.12 -5.14 116.66 117.91 2gya n ARG 117 Ca 0.64 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.56 2gya n ARG 117 Cb 0.27 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.57 2gya n ARG 117 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2gya n LEU 118 N 0.00 0.00 -3.56 0.55 -0.00 -1.26 -5.05 117.00 107.68 2gya n LEU 118 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.85 2gya n LEU 118 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 2gya n LEU 118 CO 0.00 -0.03 0.47 -0.51 -0.00 0.00 0.00 177.39 177.32 2gya s ILE 119 N 0.00 0.00 0.05 1.47 1.10 -1.26 -4.99 121.20 117.57 2gya s ILE 119 Ca 0.00 0.00 -0.25 0.00 -0.51 0.00 0.00 60.65 59.89 2gya s ILE 119 Cb 0.00 -1.00 -0.06 0.00 0.15 0.00 0.00 42.46 41.55 2gya s ILE 119 CO 0.00 0.00 0.77 -0.69 -2.11 0.00 0.00 174.94 172.91 2gya s VAL 120 N -0.63 4.71 0.00 4.00 1.01 -1.26 -3.85 120.40 124.38 2gya s VAL 120 Ca -0.06 1.65 0.04 0.00 0.00 0.00 0.00 61.98 63.60 2gya s VAL 120 Cb -0.02 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2gya s VAL 120 CO 0.06 0.37 -0.09 -0.69 0.00 0.00 0.00 175.10 174.75 2gya s VAL 121 N -0.09 3.47 1.05 2.92 1.01 -0.98 0.85 120.40 128.63 2gya s VAL 121 Ca 0.39 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 2gya s VAL 121 Cb -0.21 -2.49 0.17 0.00 0.00 0.00 0.00 36.38 33.85 2gya s VAL 121 CO 0.23 0.41 0.76 1.21 0.00 0.00 0.00 175.10 177.72 2gya n GLU 122 N 1.66 -1.30 0.01 2.72 4.07 0.96 0.14 120.64 128.91 2gya n GLU 122 Ca -0.16 -0.34 0.02 0.00 -0.06 0.00 0.00 57.16 56.62 2gya n GLU 122 Cb 0.52 -2.09 0.36 0.00 -0.06 0.00 0.00 31.44 30.18 2gya n GLU 122 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 2gya h LYS 123 N -2.13 0.51 -0.17 5.31 2.10 -1.96 -2.62 116.57 117.60 2gya h LYS 123 Ca -0.51 -0.07 0.05 0.00 -2.00 0.00 0.00 60.65 58.12 2gya h LYS 123 Cb 1.31 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 2gya h LYS 123 CO 0.42 0.45 0.60 0.74 -2.00 0.00 0.00 179.45 179.65 2gya h PHE 124 N 0.50 0.00 -0.68 0.07 -1.00 -1.97 -0.76 116.94 113.10 2gya h PHE 124 Ca 0.12 0.00 0.11 0.00 2.81 0.00 0.00 57.97 61.01 2gya h PHE 124 Cb 0.15 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.63 2gya h PHE 124 CO 0.01 0.00 0.29 0.66 -1.61 0.00 0.00 178.31 177.65 2gya h SER 125 N 0.00 0.31 0.00 2.17 4.64 -1.81 0.69 113.55 119.56 2gya h SER 125 Ca 0.08 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2gya h SER 125 Cb 1.28 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2gya h SER 125 CO -0.00 0.17 0.02 1.33 -0.87 0.00 0.00 176.83 177.47 2gya n VAL 126 N -4.96 1.17 0.14 0.95 0.24 -0.29 -2.03 118.33 113.55 2gya n VAL 126 Ca 0.11 0.70 -0.24 0.00 -2.04 0.00 0.00 64.34 62.87 2gya n VAL 126 Cb 0.31 -1.70 -0.16 0.00 -1.47 0.00 0.00 33.84 30.83 2gya n VAL 126 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2gya h GLU 127 N 0.00 0.51 -5.76 7.34 4.81 -1.03 -3.46 114.58 116.99 2gya h GLU 127 Ca 0.00 -0.87 -0.68 0.00 -0.13 0.00 0.00 59.36 57.68 2gya h GLU 127 Cb 0.03 0.32 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 2gya h GLU 127 CO 0.00 1.41 1.44 0.00 -0.73 0.00 0.00 179.01 181.14 2gya n ALA 128 N -2.71 0.40 -0.00 2.92 0.00 -0.86 -4.85 120.51 115.41 2gya n ALA 128 Ca -0.16 0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 2gya n ALA 128 Cb 1.10 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.21 2gya n ALA 128 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2gya h PRO 129 N 10.58 -0.07 -7.17 0.00 0.11 -1.90 -3.40 132.00 130.14 2gya h PRO 129 Ca -0.12 0.01 -0.48 0.00 0.11 0.00 0.00 66.00 65.51 2gya h PRO 129 Cb 1.37 0.02 0.02 0.00 0.11 0.00 0.00 31.00 32.52 2gya h PRO 129 CO 1.15 0.49 0.34 0.15 -0.21 0.00 0.00 178.00 179.92 2gya s LYS 130 N -3.54 3.87 0.05 1.05 -0.14 -1.26 -4.14 119.74 115.62 2gya s LYS 130 Ca -0.15 0.85 -0.13 0.00 -1.36 0.00 0.00 55.97 55.17 2gya s LYS 130 Cb 0.00 -2.17 -0.31 0.00 -1.68 0.00 0.00 37.83 33.68 2gya s LYS 130 CO 0.60 -0.28 1.07 1.15 -0.76 0.00 0.00 175.35 177.13 2gya h THR 131 N 0.74 1.32 -0.98 2.17 2.02 -1.90 -3.31 112.91 112.97 2gya h THR 131 Ca -0.46 -2.66 0.20 0.00 0.77 0.00 0.00 66.41 64.25 2gya h THR 131 Cb 1.19 2.88 -0.09 0.00 -1.74 0.00 0.00 68.15 70.38 2gya h THR 131 CO 0.62 0.80 0.61 0.11 0.37 0.00 0.00 175.52 178.03 2gya h LYS 132 N 0.19 0.63 -0.59 6.66 1.57 -1.95 0.16 116.57 123.24 2gya h LYS 132 Ca -0.21 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2gya h LYS 132 Cb 2.03 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 34.17 2gya h LYS 132 CO 0.25 0.41 0.35 -0.07 -0.57 0.00 0.00 179.45 179.82 2gya h LEU 133 N 0.65 0.70 -0.10 2.94 4.07 -1.96 -2.45 115.31 119.16 2gya h LEU 133 Ca 0.55 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.45 2gya h LEU 133 Cb 1.01 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.57 2gya h LEU 133 CO -0.31 0.54 -0.01 -0.07 -1.08 0.00 0.00 178.44 177.51 2gya h LEU 134 N 0.81 0.18 -1.13 1.67 -0.00 -0.85 -1.98 115.31 114.01 2gya h LEU 134 Ca 0.21 -0.33 0.19 0.00 -0.00 0.00 0.00 57.88 57.95 2gya h LEU 134 Cb -0.03 -0.05 -0.09 0.00 -0.00 0.00 0.00 40.66 40.49 2gya h LEU 134 CO -0.04 0.46 0.61 0.00 -0.00 0.00 0.00 178.44 179.47 2gya h ALA 135 N 0.72 1.79 -0.05 1.53 0.00 -1.03 0.16 119.26 122.39 2gya h ALA 135 Ca 0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2gya h ALA 135 Cb 0.37 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2gya h ALA 135 CO 0.01 -0.13 -0.04 0.37 0.00 0.00 0.00 179.25 179.46 2gya h GLN 136 N 0.71 0.11 0.00 0.00 5.75 -1.27 -0.30 115.11 120.11 2gya h GLN 136 Ca 0.55 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.99 2gya h GLN 136 Cb 0.92 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.47 2gya h GLN 136 CO -0.32 0.55 0.00 -0.22 -2.65 0.00 0.00 178.83 176.19 2gya h LYS 137 N -0.32 0.00 0.00 1.69 3.64 -0.44 0.91 116.57 122.06 2gya h LYS 137 Ca 0.01 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.17 2gya h LYS 137 Cb 0.52 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 2gya h LYS 137 CO 0.01 0.00 -1.46 -0.07 -2.27 0.00 0.00 179.45 175.66 2gya h LEU 138 N 0.00 0.00 0.29 5.20 3.38 -0.43 -3.00 115.31 120.76 2gya h LEU 138 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2gya h LEU 138 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2gya h LEU 138 CO 0.00 0.77 -0.14 0.50 0.09 0.00 0.00 178.44 179.66 2gya h LYS 139 N 0.00 -0.38 -0.07 1.13 3.11 0.91 -1.73 116.57 119.54 2gya h LYS 139 Ca -0.19 0.03 0.02 0.00 -2.81 0.00 0.00 60.65 57.69 2gya h LYS 139 Cb 1.76 0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 33.08 2gya h LYS 139 CO 0.07 -0.18 0.08 0.38 -2.81 0.00 0.00 179.45 176.99 2gya h ASP 140 N -1.07 0.00 1.12 4.20 3.04 -1.27 0.46 116.42 122.90 2gya h ASP 140 Ca -0.04 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.72 2gya h ASP 140 Cb 0.38 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.67 2gya h ASP 140 CO 0.07 0.00 -0.14 -0.03 -2.04 0.00 0.00 179.24 177.10 2gya h MET 141 N 0.00 0.00 -0.13 4.15 4.05 -1.52 -3.47 114.93 118.02 2gya h MET 141 Ca 0.03 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.40 2gya h MET 141 Cb 0.19 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 2gya h MET 141 CO -0.00 0.14 -0.05 0.00 0.23 0.00 0.00 176.91 177.22 2gya n ALA 142 N -2.16 -0.04 -2.18 0.39 0.00 0.16 -4.93 120.51 111.74 2gya n ALA 142 Ca 0.01 0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 2gya n ALA 142 Cb 0.42 -0.65 0.02 0.00 0.00 0.00 0.00 19.45 19.24 2gya n ALA 142 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2gya n LEU 143 N -0.31 4.34 0.16 0.00 7.99 -0.69 -4.76 117.00 123.73 2gya n LEU 143 Ca -0.03 -4.48 0.02 0.00 -0.01 0.00 0.00 56.01 51.51 2gya n LEU 143 Cb 0.11 -0.21 0.26 0.00 -0.11 0.00 0.00 43.42 43.48 2gya n LEU 143 CO 0.04 1.94 0.60 1.05 -1.51 0.00 0.00 177.39 179.51 2gya h GLU 144 N 2.28 0.00 0.00 3.23 4.11 -1.75 -2.04 114.58 120.41 2gya h GLU 144 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 2gya h GLU 144 Cb 1.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.71 2gya h GLU 144 CO 0.67 0.49 0.00 -3.47 0.07 0.00 0.00 179.01 176.77 2gya n ASP 145 N -3.72 0.26 0.00 3.06 2.03 -1.26 -1.90 116.55 115.02 2gya n ASP 145 Ca -0.01 0.57 0.07 0.00 0.52 0.00 0.00 54.79 55.94 2gya n ASP 145 Cb 0.55 -0.62 0.33 0.00 -0.72 0.00 0.00 41.12 40.66 2gya n ASP 145 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2gya n VAL 146 N -1.79 0.89 0.26 5.18 0.31 -0.77 -1.78 118.33 120.63 2gya n VAL 146 Ca 0.03 0.22 0.11 0.00 -0.01 0.00 0.00 64.34 64.69 2gya n VAL 146 Cb 0.18 -0.97 0.70 0.00 -0.91 0.00 0.00 33.84 32.85 2gya n VAL 146 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2gya h LEU 147 N 0.00 0.00 -0.61 7.52 3.38 -1.57 0.90 115.31 124.94 2gya h LEU 147 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2gya h LEU 147 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2gya h LEU 147 CO 0.00 0.10 -0.19 0.40 0.09 0.00 0.00 178.44 178.84 2gya h ILE 148 N 0.00 0.38 0.00 1.22 1.08 -1.60 -3.37 117.51 115.23 2gya h ILE 148 Ca -0.00 -1.25 0.00 0.00 -0.39 0.00 0.00 64.86 63.22 2gya h ILE 148 Cb 0.22 1.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 2gya h ILE 148 CO 0.01 0.19 0.00 -0.38 -0.69 0.00 0.00 178.15 177.28 2gya n ILE 149 N -3.22 0.00 -2.51 -0.67 -0.00 0.29 -5.03 119.36 108.22 2gya n ILE 149 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.77 2gya n ILE 149 Cb 0.51 -0.03 0.00 0.00 -0.00 0.00 0.00 39.64 40.12 2gya n ILE 149 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 2gya n THR 150 N -0.47 0.00 -3.63 1.39 5.66 0.16 -4.66 114.28 112.72 2gya n THR 150 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 2gya n THR 150 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 2gya n THR 150 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2gya s GLY 151 N 0.00 -0.35 0.16 1.09 0.00 -1.26 -4.68 107.32 102.29 2gya s GLY 151 Ca 0.00 0.55 -0.09 0.00 0.00 0.00 0.00 44.72 45.18 2gya s GLY 151 CO 0.00 0.16 0.46 1.18 0.00 0.00 0.00 173.10 174.90 2gya n GLU 152 N -0.37 0.48 0.00 2.90 1.02 -0.72 -4.69 120.64 119.27 2gya n GLU 152 Ca -0.07 -0.99 0.00 0.00 -0.02 0.00 0.00 57.16 56.07 2gya n GLU 152 Cb 0.61 1.28 0.00 0.00 -0.02 0.00 0.00 31.44 33.31 2gya n GLU 152 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2gya n LEU 153 N 0.00 0.00 0.00 -4.62 -0.00 -1.25 -4.57 117.00 106.56 2gya n LEU 153 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 2gya n LEU 153 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 2gya n LEU 153 CO 0.13 0.00 0.00 -0.67 -0.00 0.00 0.00 177.39 176.85 2gya n ASP 154 N 0.00 0.00 0.00 1.45 2.03 -1.26 -3.73 116.55 115.04 2gya n ASP 154 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2gya n ASP 154 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2gya n ASP 154 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2gya n GLU 155 N 0.00 0.00 -4.60 -0.67 0.28 -1.26 -4.15 120.64 110.24 2gya n GLU 155 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.73 2gya n GLU 155 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 2gya n GLU 155 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2gya s ASN 156 N 0.00 3.49 0.22 -1.84 -0.87 -1.26 -4.87 114.94 109.82 2gya s ASN 156 Ca 0.00 -1.44 -0.31 0.00 -1.57 0.00 0.00 52.86 49.54 2gya s ASN 156 Cb 0.00 -0.12 -0.11 0.00 -0.02 0.00 0.00 41.25 41.00 2gya s ASN 156 CO 0.00 -0.58 1.61 -1.48 -2.57 0.00 0.00 177.10 174.08 2gya s LEU 157 N -3.68 4.37 -0.68 0.60 2.34 -1.26 -4.91 118.68 115.46 2gya s LEU 157 Ca 0.30 2.80 -0.26 0.00 0.06 0.00 0.00 54.13 57.02 2gya s LEU 157 Cb 0.08 -3.61 0.04 0.00 -0.56 0.00 0.00 46.19 42.14 2gya s LEU 157 CO 0.15 -0.88 1.18 0.12 -1.06 0.00 0.00 176.35 175.86 2gya s PHE 158 N 0.71 2.45 0.46 3.48 5.36 -1.26 -4.87 117.98 124.31 2gya s PHE 158 Ca 0.69 -0.03 0.11 0.00 -0.96 0.00 0.00 56.93 56.73 2gya s PHE 158 Cb -0.47 -4.51 1.04 0.00 -0.34 0.00 0.00 43.02 38.75 2gya s PHE 158 CO 0.37 -1.85 2.10 1.25 -1.46 0.00 0.00 175.22 175.63 2gya h LEU 159 N 12.36 0.26 -0.90 6.12 5.85 -1.91 -0.50 115.31 136.60 2gya h LEU 159 Ca -0.27 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 2gya h LEU 159 Cb 1.06 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 2gya h LEU 159 CO 1.23 0.19 -0.08 0.00 -0.34 0.00 0.00 178.44 179.44 2gya h ALA 160 N 1.85 0.98 0.00 1.25 0.00 -1.79 -3.28 119.26 118.28 2gya h ALA 160 Ca 0.08 -0.07 -0.37 0.00 0.00 0.00 0.00 54.91 54.55 2gya h ALA 160 Cb -0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 2gya h ALA 160 CO -0.02 0.10 -2.40 0.00 0.00 0.00 0.00 179.25 176.93 2gya n ALA 161 N -2.13 1.49 -0.36 0.00 0.00 -0.75 -3.91 120.51 114.86 2gya n ALA 161 Ca 0.02 -1.28 0.31 0.00 0.00 0.00 0.00 53.44 52.48 2gya n ALA 161 Cb 0.42 -0.16 0.58 0.00 0.00 0.00 0.00 19.45 20.28 2gya n ALA 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gya h ARG 162 N 0.00 0.11 0.14 0.00 3.08 -1.17 0.99 114.38 117.52 2gya h ARG 162 Ca -0.55 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.49 2gya h ARG 162 Cb 2.17 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.20 2gya h ARG 162 CO 0.01 0.07 -0.07 -0.97 -1.07 0.00 0.00 179.97 177.94 2gya h ASN 163 N 0.11 -0.16 -1.54 7.04 -0.73 -1.78 -3.41 115.58 115.11 2gya h ASN 163 Ca 0.81 -0.14 -0.42 0.00 1.87 0.00 0.00 56.30 58.42 2gya h ASN 163 Cb 2.19 0.04 0.18 0.00 0.27 0.00 0.00 38.32 41.00 2gya h ASN 163 CO -0.64 0.04 -1.42 0.18 -0.37 0.00 0.00 177.43 175.23 2gya n LEU 164 N -5.09 -4.60 -4.56 0.34 4.77 0.34 -4.74 117.00 103.45 2gya n LEU 164 Ca -0.09 0.15 -0.49 0.00 -0.03 0.00 0.00 56.01 55.56 2gya n LEU 164 Cb 0.16 -0.59 -0.04 0.00 -2.33 0.00 0.00 43.42 40.63 2gya n LEU 164 CO 0.33 -4.63 0.62 1.41 -1.33 0.00 0.00 177.39 173.80 2gya n HIS 165 N -1.90 1.10 -3.68 -1.77 8.25 -1.26 -2.33 115.22 113.63 2gya n HIS 165 Ca -0.01 0.73 -0.29 0.00 -0.26 0.00 0.00 57.72 57.88 2gya n HIS 165 Cb 0.43 -2.24 -0.06 0.00 1.12 0.00 0.00 29.99 29.24 2gya n HIS 165 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2gya n LYS 166 N 1.52 -0.82 -3.29 -0.41 5.02 -1.26 -4.81 118.16 114.11 2gya n LYS 166 Ca 0.15 0.09 -0.40 0.00 -2.02 0.00 0.00 58.31 56.13 2gya n LYS 166 Cb 0.25 -3.22 -0.08 0.00 -0.02 0.00 0.00 35.03 31.96 2gya n LYS 166 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2gya s VAL 167 N -2.81 5.10 -0.67 -0.18 1.01 -0.98 -4.69 120.40 117.18 2gya s VAL 167 Ca 0.50 0.65 0.05 0.00 0.00 0.00 0.00 61.98 63.18 2gya s VAL 167 Cb -0.29 -3.81 0.18 0.00 0.00 0.00 0.00 36.38 32.45 2gya s VAL 167 CO 0.73 0.05 0.50 0.47 0.00 0.00 0.00 175.10 176.84 2gya n ASP 168 N 5.51 2.67 -4.44 3.32 8.00 -1.26 -4.82 116.55 125.53 2gya n ASP 168 Ca -0.06 -3.14 -0.42 0.00 0.71 0.00 0.00 54.79 51.88 2gya n ASP 168 Cb 0.50 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 2gya n ASP 168 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2gya n VAL 169 N 1.96 1.67 -3.63 2.53 3.14 -1.26 -4.93 118.33 117.81 2gya n VAL 169 Ca 0.22 -0.50 -0.12 0.00 -2.96 0.00 0.00 64.34 60.98 2gya n VAL 169 Cb 0.37 -0.46 -0.05 0.00 -1.06 0.00 0.00 33.84 32.63 2gya n VAL 169 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 2gya s ARG 170 N -1.46 1.00 0.02 1.45 6.06 -1.26 -5.02 118.95 119.75 2gya s ARG 170 Ca 0.62 -0.45 0.02 0.00 -2.50 0.00 0.00 55.73 53.42 2gya s ARG 170 Cb -0.64 0.45 -0.04 0.00 0.06 0.00 0.00 34.95 34.78 2gya s ARG 170 CO 0.59 -0.37 0.03 -0.51 -2.50 0.00 0.00 175.30 172.54 2gya s ASP 171 N -2.28 5.28 0.21 -2.12 1.01 -1.26 -3.77 116.67 113.74 2gya s ASP 171 Ca -0.02 -0.00 0.04 0.00 0.71 0.00 0.00 52.55 53.28 2gya s ASP 171 Cb 0.00 -1.40 0.24 0.00 1.01 0.00 0.00 42.92 42.78 2gya s ASP 171 CO -0.06 0.25 0.90 0.00 0.21 0.00 0.00 175.17 176.47 2gya n ALA 172 N 1.09 0.32 -3.87 5.23 0.00 -1.24 -3.28 120.51 118.75 2gya n ALA 172 Ca -0.13 0.04 -0.34 0.00 0.00 0.00 0.00 53.44 53.02 2gya n ALA 172 Cb 0.52 -0.38 -0.13 0.00 0.00 0.00 0.00 19.45 19.47 2gya n ALA 172 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2gya s THR 173 N -2.87 2.90 0.00 0.00 -4.23 -1.26 -4.25 115.64 105.94 2gya s THR 173 Ca -0.00 -2.33 0.00 0.00 -1.18 0.00 0.00 61.69 58.17 2gya s THR 173 Cb 0.01 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.82 2gya s THR 173 CO 0.04 -0.68 0.00 0.61 -0.54 0.00 0.00 174.62 174.05 2gya n GLY 174 N 4.27 1.01 3.67 3.99 0.00 -1.24 -5.10 105.19 111.80 2gya n GLY 174 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 2gya n GLY 174 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2gya n ILE 175 N 0.00 0.01 -3.87 -0.61 -0.00 -1.21 -5.00 119.36 108.68 2gya n ILE 175 Ca 0.00 -0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.54 2gya n ILE 175 Cb 0.00 -1.58 -0.04 0.00 -0.00 0.00 0.00 39.64 38.02 2gya n ILE 175 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 2gya s ASP 176 N 0.97 5.31 0.37 7.28 1.01 -1.26 -4.92 116.67 125.43 2gya s ASP 176 Ca 0.79 -0.46 0.15 0.00 0.71 0.00 0.00 52.55 53.73 2gya s ASP 176 Cb -0.66 -1.04 1.00 0.00 1.01 0.00 0.00 42.92 43.23 2gya s ASP 176 CO 0.38 -0.30 1.78 -0.65 0.21 0.00 0.00 175.17 176.59 2gya h PRO 177 N 1.30 0.48 -0.68 8.23 0.11 -1.93 0.33 132.00 139.83 2gya h PRO 177 Ca -0.45 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.72 2gya h PRO 177 Cb 1.25 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 2gya h PRO 177 CO 0.59 0.32 0.32 -0.24 -0.21 0.00 0.00 178.00 178.77 2gya h VAL 178 N 0.49 0.81 0.37 3.15 3.04 -1.95 0.15 116.25 122.32 2gya h VAL 178 Ca 0.58 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 66.07 2gya h VAL 178 Cb 1.30 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2gya h VAL 178 CO -0.32 0.10 -0.18 -1.28 -1.01 0.00 0.00 177.57 174.88 2gya h SER 179 N 0.54 -0.42 -0.32 3.17 0.87 -0.79 0.32 113.55 116.93 2gya h SER 179 Ca 0.34 -0.13 0.09 0.00 -1.23 0.00 0.00 61.79 60.87 2gya h SER 179 Cb 0.39 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2gya h SER 179 CO -0.29 0.02 0.61 -0.07 -0.53 0.00 0.00 176.83 176.57 2gya h LEU 180 N -0.99 0.00 -5.37 2.23 -0.00 -0.84 -3.25 115.31 107.10 2gya h LEU 180 Ca -0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.64 2gya h LEU 180 Cb 0.52 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 40.99 2gya h LEU 180 CO 0.08 0.00 -0.55 0.27 -0.00 0.00 0.00 178.44 178.25 2gya s ILE 181 N -4.33 -0.83 -1.06 1.22 -4.36 0.50 -4.14 121.20 108.21 2gya s ILE 181 Ca -0.03 -1.02 -0.22 0.00 -0.26 0.00 0.00 60.65 59.13 2gya s ILE 181 Cb 0.11 -0.16 -0.09 0.00 1.25 0.00 0.00 42.46 43.56 2gya s ILE 181 CO 0.37 -0.16 1.92 0.00 0.24 0.00 0.00 174.94 177.31 2gya n ALA 182 N 3.23 2.63 -0.73 2.27 0.00 0.09 -2.83 120.51 125.17 2gya n ALA 182 Ca 0.18 -3.23 0.00 0.00 0.00 0.00 0.00 53.44 50.39 2gya n ALA 182 Cb 0.55 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.45 2gya n ALA 182 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2gya n PHE 183 N 11.15 0.00 -2.48 0.00 7.35 -1.26 -4.45 117.46 127.77 2gya n PHE 183 Ca 0.47 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 57.02 2gya n PHE 183 Cb 0.44 -0.73 -0.03 0.00 0.35 0.00 0.00 39.48 39.52 2gya n PHE 183 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2gya n ASP 184 N -0.27 -0.62 -3.53 -2.13 5.68 -1.13 -4.77 116.55 109.78 2gya n ASP 184 Ca 0.00 -0.40 -0.15 0.00 -0.50 0.00 0.00 54.79 53.74 2gya n ASP 184 Cb 0.03 -0.55 -0.05 0.00 -1.14 0.00 0.00 41.12 39.41 2gya n ASP 184 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2gya s LYS 185 N -3.09 1.08 0.00 0.11 -0.14 -1.26 -4.99 119.74 111.44 2gya s LYS 185 Ca 0.28 -0.08 0.00 0.00 -1.36 0.00 0.00 55.97 54.81 2gya s LYS 185 Cb -0.16 0.50 0.00 0.00 -1.68 0.00 0.00 37.83 36.49 2gya s LYS 185 CO 0.34 -0.39 0.00 1.55 -0.76 0.00 0.00 175.35 176.09 2gya n VAL 186 N 0.49 0.00 -3.64 3.17 3.14 -1.26 -1.18 118.33 119.05 2gya n VAL 186 Ca -0.18 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.12 2gya n VAL 186 Cb 0.60 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.31 2gya n VAL 186 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2gya s VAL 187 N -2.32 0.00 0.15 1.55 0.11 -1.26 -4.14 120.40 114.48 2gya s VAL 187 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 2gya s VAL 187 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 2gya s VAL 187 CO 0.00 0.00 0.10 0.23 -3.33 0.00 0.00 175.10 172.10 2gya n MET 188 N 2.02 0.37 -4.24 1.54 2.81 -1.25 -1.76 117.12 116.60 2gya n MET 188 Ca -0.12 -1.37 -0.26 0.00 -1.81 0.00 0.00 57.70 54.14 2gya n MET 188 Cb 0.56 1.00 -0.08 0.00 -0.71 0.00 0.00 33.22 33.99 2gya n MET 188 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2gya s THR 189 N -2.42 2.14 0.04 2.03 -4.23 -1.26 -2.31 115.64 109.62 2gya s THR 189 Ca 0.14 -1.76 -0.20 0.00 -1.18 0.00 0.00 61.69 58.69 2gya s THR 189 Cb 0.01 -2.89 -0.11 0.00 1.34 0.00 0.00 72.50 70.85 2gya s THR 189 CO 0.10 0.00 1.31 0.00 -0.54 0.00 0.00 174.62 175.49 2gya h ALA 190 N 1.44 -1.08 -0.98 3.99 0.00 0.10 -2.10 119.26 120.64 2gya h ALA 190 Ca -0.43 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.49 2gya h ALA 190 Cb 1.26 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 19.38 2gya h ALA 190 CO 0.71 -1.07 0.62 -0.44 0.00 0.00 0.00 179.25 179.07 2gya h ASP 191 N -0.65 0.82 -0.38 0.00 3.32 -1.92 -1.35 116.42 116.27 2gya h ASP 191 Ca -0.05 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.11 2gya h ASP 191 Cb 0.53 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 2gya h ASP 191 CO 0.04 0.40 0.06 0.00 -1.72 0.00 0.00 179.24 178.02 2gya h ALA 192 N 1.58 0.39 -0.95 3.45 0.00 -1.77 -0.18 119.26 121.77 2gya h ALA 192 Ca 0.51 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.58 2gya h ALA 192 Cb 0.65 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 2gya h ALA 192 CO -0.28 -0.34 0.62 0.28 0.00 0.00 0.00 179.25 179.53 2gya h VAL 193 N 0.18 1.03 -0.16 0.00 2.07 -0.54 0.32 116.25 119.15 2gya h VAL 193 Ca 0.18 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 2gya h VAL 193 Cb 0.22 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 2gya h VAL 193 CO -0.25 0.19 -0.10 0.50 0.02 0.00 0.00 177.57 177.93 2gya h LYS 194 N 1.04 0.35 -0.50 1.57 3.64 -1.06 -2.92 116.57 118.70 2gya h LYS 194 Ca 0.43 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2gya h LYS 194 Cb 0.28 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2gya h LYS 194 CO -0.18 0.69 0.31 1.96 -2.27 0.00 0.00 179.45 179.95 2gya h GLN 195 N 0.01 0.67 0.00 1.90 1.08 -0.55 -2.43 115.11 115.78 2gya h GLN 195 Ca 0.03 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2gya h GLN 195 Cb 0.60 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2gya h GLN 195 CO 0.03 0.48 -0.03 0.28 -0.95 0.00 0.00 178.83 178.64 2gya h VAL 196 N 0.67 0.48 -1.01 -0.54 2.07 -0.95 -2.80 116.25 114.17 2gya h VAL 196 Ca 0.18 -0.15 0.23 0.00 0.82 0.00 0.00 66.70 67.78 2gya h VAL 196 Cb -0.03 1.10 -0.12 0.00 -1.52 0.00 0.00 31.29 30.72 2gya h VAL 196 CO -0.03 0.03 0.61 -0.33 0.02 0.00 0.00 177.57 177.86 2gya h GLU 197 N 0.00 0.60 0.00 1.57 5.08 -1.23 -3.51 114.58 117.08 2gya h GLU 197 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2gya h GLU 197 Cb 0.09 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2gya h GLU 197 CO 0.00 0.40 0.00 0.39 -1.00 0.00 0.00 179.01 178.80