#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gya s LYS 2 N 0.00 4.01 -0.44 3.17 1.02 -1.26 -5.02 119.74 121.22 2gya s LYS 2 Ca 0.00 -0.25 0.05 0.00 0.02 0.00 0.00 55.97 55.79 2gya s LYS 2 Cb 0.00 -3.61 0.17 0.00 -0.52 0.00 0.00 37.83 33.88 2gya s LYS 2 CO 0.00 -0.09 0.51 -0.08 -0.92 0.00 0.00 175.35 174.77 2gya s THR 3 N 1.49 -0.40 -0.01 2.17 -1.32 -1.26 -5.13 115.64 111.18 2gya s THR 3 Ca 0.08 -1.47 0.08 0.00 -1.21 0.00 0.00 61.69 59.17 2gya s THR 3 Cb -0.15 -0.57 -0.02 0.00 -1.51 0.00 0.00 72.50 70.25 2gya s THR 3 CO 0.08 -0.55 -0.25 0.72 -2.21 0.00 0.00 174.62 172.42 2gya s PHE 4 N 0.81 2.37 0.54 9.09 -0.12 -1.26 -4.86 117.98 124.54 2gya s PHE 4 Ca 0.27 -0.41 -0.07 0.00 -0.05 0.00 0.00 56.93 56.67 2gya s PHE 4 Cb -0.03 -1.50 -0.03 0.00 -0.63 0.00 0.00 43.02 40.83 2gya s PHE 4 CO -0.09 0.01 0.87 0.95 -0.05 0.00 0.00 175.22 176.91 2gya s THR 5 N -0.65 4.60 0.82 -4.49 -4.23 -1.26 -5.02 115.64 105.41 2gya s THR 5 Ca 0.10 0.34 -0.15 0.00 -1.18 0.00 0.00 61.69 60.80 2gya s THR 5 Cb -0.10 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 69.93 2gya s THR 5 CO -0.00 -0.85 0.37 0.00 -0.54 0.00 0.00 174.62 173.60 2gya n ALA 6 N -2.46 -2.23 -2.04 3.99 0.00 -1.26 -4.86 120.51 111.66 2gya n ALA 6 Ca 0.03 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 2gya n ALA 6 Cb 0.55 -1.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 2gya n ALA 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2gya s LYS 7 N -2.98 4.22 0.00 0.00 -0.14 -1.26 -4.47 119.74 115.12 2gya s LYS 7 Ca 0.60 2.19 0.00 0.00 -1.36 0.00 0.00 55.97 57.40 2gya s LYS 7 Cb -0.29 -3.64 0.00 0.00 -1.68 0.00 0.00 37.83 32.22 2gya s LYS 7 CO 0.63 -0.69 0.00 -0.35 -0.76 0.00 0.00 175.35 174.18 2gya n PRO 8 N 5.70 0.00 -0.12 -1.68 -0.04 -1.26 -4.96 135.00 132.65 2gya n PRO 8 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2gya n PRO 8 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 2gya n PRO 8 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2gya n GLU 9 N 0.00 0.00 0.02 0.54 4.07 -1.26 -4.86 120.64 119.14 2gya n GLU 9 Ca 0.00 -0.30 -0.14 0.00 -0.06 0.00 0.00 57.16 56.66 2gya n GLU 9 Cb 0.00 -0.24 -0.14 0.00 -0.06 0.00 0.00 31.44 31.00 2gya n GLU 9 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2gya h THR 10 N 3.72 0.93 -3.04 6.31 1.03 -1.92 -3.38 112.91 116.55 2gya h THR 10 Ca 0.00 -2.68 -0.53 0.00 -0.01 0.00 0.00 66.41 63.20 2gya h THR 10 Cb 1.05 2.57 0.04 0.00 -1.07 0.00 0.00 68.15 70.74 2gya h THR 10 CO 0.00 0.72 0.80 0.68 -0.01 0.00 0.00 175.52 177.71 2gya s VAL 11 N -2.60 2.83 -1.14 0.00 -7.23 -1.26 -0.13 120.40 110.86 2gya s VAL 11 Ca -0.10 0.62 0.00 0.00 -1.81 0.00 0.00 61.98 60.69 2gya s VAL 11 Cb 0.07 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.62 2gya s VAL 11 CO 0.82 0.06 0.00 0.29 -0.31 0.00 0.00 175.10 175.96 2gya n LYS 12 N 3.46 -1.28 -1.09 4.82 4.76 -1.26 -4.83 118.16 122.74 2gya n LYS 12 Ca 0.11 0.84 -0.43 0.00 -2.87 0.00 0.00 58.31 55.97 2gya n LYS 12 Cb 0.40 -5.02 -0.06 0.00 -1.84 0.00 0.00 35.03 28.51 2gya n LYS 12 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2gya n ARG 13 N -1.63 0.00 0.00 1.97 0.00 0.82 -4.94 116.66 112.87 2gya n ARG 13 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.74 2gya n ARG 13 Cb 0.49 -1.02 0.00 0.00 0.00 0.00 0.00 32.46 31.93 2gya n ARG 13 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2gya n ASP 14 N 1.69 0.00 0.00 6.15 -0.08 -1.26 -5.08 116.55 117.97 2gya n ASP 14 Ca 0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.45 2gya n ASP 14 Cb 0.02 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.48 2gya n ASP 14 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 2gya n TRP 15 N -0.26 0.00 -3.71 -0.67 -0.00 -1.26 -4.78 117.44 106.76 2gya n TRP 15 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.37 2gya n TRP 15 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.23 2gya n TRP 15 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 2gya s TYR 16 N -1.61 -0.24 0.46 5.87 1.51 -1.23 -5.05 117.35 117.07 2gya s TYR 16 Ca 0.00 0.30 0.02 0.00 -1.01 0.00 0.00 57.07 56.39 2gya s TYR 16 Cb 0.00 0.16 -0.02 0.00 -0.11 0.00 0.00 41.96 41.99 2gya s TYR 16 CO 0.00 -0.47 0.06 0.14 -1.11 0.00 0.00 175.55 174.17 2gya s VAL 17 N -1.75 0.89 0.32 0.71 -7.23 -1.26 -2.87 120.40 109.21 2gya s VAL 17 Ca -0.10 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 2gya s VAL 17 Cb -0.03 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.66 2gya s VAL 17 CO 0.02 0.00 0.41 1.33 -0.31 0.00 0.00 175.10 176.55 2gya n VAL 18 N -1.10 0.00 -3.43 1.32 0.24 -1.25 -4.39 118.33 109.72 2gya n VAL 18 Ca -0.13 -1.75 -0.34 0.00 -2.04 0.00 0.00 64.34 60.08 2gya n VAL 18 Cb 0.66 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 34.00 2gya n VAL 18 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2gya n ASP 19 N -1.70 4.49 0.11 -1.34 5.75 -1.26 -4.49 116.55 118.10 2gya n ASP 19 Ca 0.02 -3.32 0.18 0.00 -0.01 0.00 0.00 54.79 51.66 2gya n ASP 19 Cb 0.54 -0.94 0.56 0.00 -1.03 0.00 0.00 41.12 40.25 2gya n ASP 19 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gya h ALA 20 N 5.14 2.14 -2.04 2.12 0.00 -1.91 -3.39 119.26 121.33 2gya h ALA 20 Ca 0.18 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.51 2gya h ALA 20 Cb 0.70 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2gya h ALA 20 CO 0.95 -0.93 1.19 -0.08 0.00 0.00 0.00 179.25 180.39 2gya s THR 21 N -4.35 3.54 0.35 0.00 -1.32 -1.25 -4.57 115.64 108.04 2gya s THR 21 Ca -0.03 0.60 0.00 0.00 -1.21 0.00 0.00 61.69 61.05 2gya s THR 21 Cb 0.11 -3.57 0.00 0.00 -1.51 0.00 0.00 72.50 67.53 2gya s THR 21 CO 0.37 -0.26 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 2gya n GLY 22 N 4.87 -5.12 0.00 6.08 0.00 -1.26 -5.06 105.19 104.71 2gya n GLY 22 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2gya n GLY 22 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2gya n LYS 23 N 0.90 0.00 -1.60 1.61 0.00 -1.26 -5.02 118.16 112.79 2gya n LYS 23 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 57.87 2gya n LYS 23 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.02 2gya n LYS 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2gya n THR 24 N -1.40 2.01 0.29 0.58 -1.04 -1.26 -4.72 114.28 108.75 2gya n THR 24 Ca 0.00 -0.50 0.12 0.00 -2.04 0.00 0.00 64.05 61.63 2gya n THR 24 Cb 0.00 -1.08 0.16 0.00 -1.82 0.00 0.00 70.33 67.59 2gya n THR 24 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 2gya h LEU 25 N 2.03 0.00 0.67 -4.42 -0.00 -1.97 -3.34 115.31 108.28 2gya h LEU 25 Ca -0.41 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.42 2gya h LEU 25 Cb 1.33 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.00 2gya h LEU 25 CO 0.61 0.01 -0.32 1.23 -0.00 0.00 0.00 178.44 179.97 2gya h GLY 26 N 4.14 -0.94 -4.62 0.17 0.00 -1.97 -3.21 103.07 96.65 2gya h GLY 26 Ca 0.00 0.35 -0.38 0.00 0.00 0.00 0.00 47.33 47.30 2gya h GLY 26 CO 0.00 -0.34 1.60 0.54 0.00 0.00 0.00 176.54 178.34 2gya n ARG 27 N -5.37 2.50 0.00 4.80 5.12 -1.25 -0.82 116.66 121.64 2gya n ARG 27 Ca -0.11 -1.43 0.00 0.00 -1.93 0.00 0.00 57.85 54.38 2gya n ARG 27 Cb 0.36 -2.32 0.00 0.00 -1.16 0.00 0.00 32.46 29.34 2gya n ARG 27 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2gya n LEU 28 N 3.15 0.00 -0.03 0.55 -0.00 -1.21 -4.79 117.00 114.67 2gya n LEU 28 Ca 0.53 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 56.39 2gya n LEU 28 Cb 0.51 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.81 2gya n LEU 28 CO 0.47 0.00 0.35 0.00 -0.00 0.00 0.00 177.39 178.22 2gya h ALA 29 N 0.00 0.01 -2.12 1.96 0.00 -1.04 -3.44 119.26 114.63 2gya h ALA 29 Ca 0.00 -0.50 -0.43 0.00 0.00 0.00 0.00 54.91 53.98 2gya h ALA 29 Cb 0.00 0.02 0.17 0.00 0.00 0.00 0.00 17.79 17.98 2gya h ALA 29 CO 0.00 0.10 0.25 0.99 0.00 0.00 0.00 179.25 180.59 2gya s THR 30 N -2.87 1.81 0.45 0.00 2.01 -1.25 -4.28 115.64 111.50 2gya s THR 30 Ca -0.16 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.84 2gya s THR 30 Cb 0.00 -2.68 0.00 0.00 0.01 0.00 0.00 72.50 69.83 2gya s THR 30 CO 0.74 0.00 0.00 -0.62 -0.69 0.00 0.00 174.62 174.05 2gya n GLU 31 N -4.27 -3.03 0.00 4.92 4.71 -1.26 -4.51 120.64 117.19 2gya n GLU 31 Ca 0.12 2.23 0.00 0.00 -0.01 0.00 0.00 57.16 59.50 2gya n GLU 31 Cb 0.59 -3.63 0.00 0.00 -1.01 0.00 0.00 31.44 27.39 2gya n GLU 31 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2gya n LEU 32 N -4.26 0.00 0.00 -4.62 4.77 -1.26 -3.53 117.00 108.09 2gya n LEU 32 Ca -0.03 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.09 2gya n LEU 32 Cb 0.66 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 42.52 2gya n LEU 32 CO 0.03 0.00 0.98 0.00 -1.33 0.00 0.00 177.39 177.06 2gya n ALA 33 N 0.00 2.46 0.35 -1.18 0.00 -1.26 -2.17 120.51 118.71 2gya n ALA 33 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.33 2gya n ALA 33 Cb 0.00 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.05 2gya n ALA 33 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2gya n ARG 34 N -1.10 0.53 0.04 0.00 1.85 -1.23 -4.29 116.66 112.46 2gya n ARG 34 Ca 0.18 -1.14 0.12 0.00 -1.00 0.00 0.00 57.85 56.01 2gya n ARG 34 Cb 0.14 -1.18 0.27 0.00 -1.05 0.00 0.00 32.46 30.63 2gya n ARG 34 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2gya n ARG 35 N 0.52 0.16 0.00 2.89 5.12 -0.92 -3.64 116.66 120.79 2gya n ARG 35 Ca 0.06 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2gya n ARG 35 Cb 0.25 -1.61 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 2gya n ARG 35 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2gya n LEU 36 N -1.86 0.00 -4.56 0.55 7.99 -1.25 -3.78 117.00 114.09 2gya n LEU 36 Ca 0.05 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.83 2gya n LEU 36 Cb 0.39 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.65 2gya n LEU 36 CO 0.34 0.00 1.46 0.00 -1.51 0.00 0.00 177.39 177.69 2gya s ARG 37 N 0.00 1.85 0.00 3.23 3.03 -1.26 -1.78 118.95 124.01 2gya s ARG 37 Ca 0.00 0.68 0.00 0.00 2.03 0.00 0.00 55.73 58.44 2gya s ARG 37 Cb 0.00 -4.74 0.00 0.00 -1.03 0.00 0.00 34.95 29.18 2gya s ARG 37 CO 0.00 -3.98 0.00 0.41 -1.13 0.00 0.00 175.30 170.60 2gya n GLY 38 N 6.55 0.75 0.63 3.88 0.00 -1.26 -4.94 105.19 110.80 2gya n GLY 38 Ca 0.42 -0.10 0.42 0.00 0.00 0.00 0.00 46.02 46.77 2gya n GLY 38 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2gya h LYS 39 N 0.00 0.00 0.00 1.61 1.63 -1.42 -3.42 116.57 114.97 2gya h LYS 39 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2gya h LYS 39 Cb 0.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 2gya h LYS 39 CO 0.00 0.00 0.00 0.72 -3.45 0.00 0.00 179.45 176.72 2gya n HIS 40 N -3.73 0.00 -4.19 1.91 8.25 -1.26 -4.68 115.22 111.51 2gya n HIS 40 Ca 0.34 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.68 2gya n HIS 40 Cb 1.74 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 32.74 2gya n HIS 40 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2gya s LYS 41 N 0.06 0.90 0.00 -0.41 0.00 -1.26 -5.03 119.74 114.00 2gya s LYS 41 Ca 0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 55.97 54.64 2gya s LYS 41 Cb 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 37.83 37.26 2gya s LYS 41 CO 0.00 0.04 2.50 0.00 0.00 0.00 0.00 175.35 177.89 2gya n ALA 42 N 0.13 4.69 -2.51 0.59 0.00 -1.26 -3.76 120.51 118.39 2gya n ALA 42 Ca -0.13 -0.86 0.01 0.00 0.00 0.00 0.00 53.44 52.47 2gya n ALA 42 Cb 0.60 -1.79 0.05 0.00 0.00 0.00 0.00 19.45 18.30 2gya n ALA 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2gya n GLU 43 N 2.13 0.92 -3.83 0.00 -0.58 -1.26 -5.00 120.64 113.03 2gya n GLU 43 Ca 0.20 -2.74 -0.24 0.00 -0.42 0.00 0.00 57.16 53.96 2gya n GLU 43 Cb 0.62 -0.81 -0.03 0.00 -0.57 0.00 0.00 31.44 30.65 2gya n GLU 43 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2gya s TYR 44 N -1.76 2.33 0.00 -0.32 5.04 -1.25 -4.97 117.35 116.42 2gya s TYR 44 Ca 0.33 -0.63 0.00 0.00 -2.44 0.00 0.00 57.07 54.33 2gya s TYR 44 Cb 0.37 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 40.65 2gya s TYR 44 CO -0.11 -0.15 0.00 0.25 -1.34 0.00 0.00 175.55 174.20 2gya n THR 45 N -1.53 0.00 -4.04 4.34 -2.24 -1.26 -4.95 114.28 104.60 2gya n THR 45 Ca 0.01 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.49 2gya n THR 45 Cb 0.63 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.70 2gya n THR 45 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2gya s PRO 46 N -1.17 2.19 0.00 -0.78 0.04 -1.26 -5.14 135.00 128.88 2gya s PRO 46 Ca 0.00 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.52 2gya s PRO 46 Cb 0.00 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2gya s PRO 46 CO 0.00 -0.23 0.00 1.58 0.04 0.00 0.00 177.00 178.39 2gya n HIS 47 N 4.75 0.00 -3.71 0.56 -0.00 -1.26 -5.15 115.22 110.41 2gya n HIS 47 Ca -0.16 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.81 2gya n HIS 47 Cb 0.50 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.34 2gya n HIS 47 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 2gya s VAL 48 N -0.52 3.24 0.79 3.57 -7.23 -1.26 -5.11 120.40 113.88 2gya s VAL 48 Ca 0.00 -1.35 -0.14 0.00 -1.81 0.00 0.00 61.98 58.67 2gya s VAL 48 Cb 0.00 -3.12 0.04 0.00 0.56 0.00 0.00 36.38 33.86 2gya s VAL 48 CO 0.00 -0.11 0.94 0.47 -0.31 0.00 0.00 175.10 176.09 2gya n ASP 49 N -1.44 0.19 0.00 4.85 8.00 -1.26 -4.94 116.55 121.95 2gya n ASP 49 Ca 0.00 0.58 0.00 0.00 0.71 0.00 0.00 54.79 56.08 2gya n ASP 49 Cb 0.60 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 2gya n ASP 49 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2gya n THR 50 N -2.96 0.00 0.00 -3.53 -2.24 -1.26 -4.48 114.28 99.81 2gya n THR 50 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2gya n THR 50 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2gya n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gya n GLY 51 N -0.03 0.00 3.40 3.38 0.00 -1.26 -4.79 105.19 105.89 2gya n GLY 51 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2gya n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gya s ASP 52 N 0.00 6.39 -0.34 1.61 2.15 -1.25 -4.96 116.67 120.26 2gya s ASP 52 Ca 0.00 -1.72 -0.44 0.00 0.43 0.00 0.00 52.55 50.82 2gya s ASP 52 Cb 0.00 -2.33 -0.19 0.00 -0.30 0.00 0.00 42.92 40.10 2gya s ASP 52 CO 0.00 -1.07 1.54 0.00 -0.17 0.00 0.00 175.17 175.47 2gya n TYR 53 N 6.26 1.64 -3.75 -5.34 0.18 -1.26 -4.57 117.16 110.32 2gya n TYR 53 Ca 0.04 0.97 -0.22 0.00 1.88 0.00 0.00 57.90 60.57 2gya n TYR 53 Cb 0.45 -2.26 -0.04 0.00 -0.38 0.00 0.00 39.34 37.11 2gya n TYR 53 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 2gya s ILE 54 N 2.53 2.76 0.05 -3.48 -4.36 -1.26 -3.48 121.20 113.97 2gya s ILE 54 Ca 1.00 -1.44 0.06 0.00 -0.26 0.00 0.00 60.65 60.00 2gya s ILE 54 Cb -1.34 -3.02 -0.02 0.00 1.25 0.00 0.00 42.46 39.32 2gya s ILE 54 CO 0.73 -0.04 -0.16 -0.63 0.24 0.00 0.00 174.94 175.08 2gya s ILE 55 N -2.47 1.24 -0.19 8.37 -1.09 -1.14 -2.33 121.20 123.59 2gya s ILE 55 Ca 0.45 -1.13 -0.04 0.00 -2.23 0.00 0.00 60.65 57.70 2gya s ILE 55 Cb -0.02 -1.13 -0.02 0.00 -1.58 0.00 0.00 42.46 39.71 2gya s ILE 55 CO 0.26 -0.02 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.23 2gya s VAL 56 N -0.95 3.68 0.00 2.92 1.01 -1.25 -3.83 120.40 121.99 2gya s VAL 56 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2gya s VAL 56 Cb -0.09 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.65 2gya s VAL 56 CO 0.02 0.45 0.00 -0.11 0.00 0.00 0.00 175.10 175.46 2gya n LEU 57 N 4.16 0.00 -4.48 3.92 7.94 -1.26 -4.33 117.00 122.94 2gya n LEU 57 Ca -0.18 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.39 2gya n LEU 57 Cb 0.52 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.34 2gya n LEU 57 CO 0.31 0.00 -0.40 0.54 -1.11 0.00 0.00 177.39 176.73 2gya s ASN 58 N -1.78 4.47 -0.00 1.96 4.22 -1.26 -2.81 114.94 119.74 2gya s ASN 58 Ca 0.00 -0.16 0.09 0.00 -2.14 0.00 0.00 52.86 50.65 2gya s ASN 58 Cb 0.00 -1.50 0.27 0.00 1.28 0.00 0.00 41.25 41.30 2gya s ASN 58 CO 0.00 0.23 1.22 0.00 -2.04 0.00 0.00 177.10 176.51 2gya n ALA 59 N 3.09 2.16 -0.07 3.54 0.00 -1.26 -3.84 120.51 124.13 2gya n ALA 59 Ca -0.18 -1.13 -0.22 0.00 0.00 0.00 0.00 53.44 51.91 2gya n ALA 59 Cb 0.53 -0.38 -0.12 0.00 0.00 0.00 0.00 19.45 19.47 2gya n ALA 59 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2gya n ASP 60 N 0.38 2.00 0.24 0.00 5.75 -1.26 -4.28 116.55 119.37 2gya n ASP 60 Ca 0.10 0.26 0.11 0.00 -0.01 0.00 0.00 54.79 55.25 2gya n ASP 60 Cb 0.40 -0.84 0.55 0.00 -1.03 0.00 0.00 41.12 40.20 2gya n ASP 60 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2gya h LYS 61 N -0.44 0.00 -5.25 0.11 1.63 -1.94 -3.43 116.57 107.25 2gya h LYS 61 Ca -0.45 0.00 -0.39 0.00 -0.85 0.00 0.00 60.65 58.96 2gya h LYS 61 Cb 1.71 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 33.29 2gya h LYS 61 CO -0.10 0.18 1.52 0.28 -3.45 0.00 0.00 179.45 177.89 2gya n VAL 62 N -3.43 -0.03 -3.33 2.00 0.31 -1.26 -4.78 118.33 107.81 2gya n VAL 62 Ca -0.00 -0.41 -0.33 0.00 -0.01 0.00 0.00 64.34 63.58 2gya n VAL 62 Cb 0.37 -1.39 -0.06 0.00 -0.91 0.00 0.00 33.84 31.85 2gya n VAL 62 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gya s ALA 63 N 9.48 3.50 0.26 3.52 0.00 -1.26 -5.04 121.76 132.23 2gya s ALA 63 Ca 1.17 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2gya s ALA 63 Cb -0.68 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2gya s ALA 63 CO 0.37 0.45 0.00 1.33 0.00 0.00 0.00 175.76 177.91 2gya n VAL 64 N 0.01 0.00 -1.58 0.00 0.24 -1.26 -4.59 118.33 111.15 2gya n VAL 64 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.96 2gya n VAL 64 Cb 0.52 -1.26 0.08 0.00 -1.47 0.00 0.00 33.84 31.71 2gya n VAL 64 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2gya s THR 65 N 0.97 2.56 -0.37 3.34 -4.23 -1.26 -4.90 115.64 111.74 2gya s THR 65 Ca 0.00 0.28 -0.02 0.00 -1.18 0.00 0.00 61.69 60.77 2gya s THR 65 Cb 0.00 -2.86 0.18 0.00 1.34 0.00 0.00 72.50 71.16 2gya s THR 65 CO 0.00 -0.14 2.25 0.61 -0.54 0.00 0.00 174.62 176.79 2gya n GLY 66 N 0.20 4.25 2.01 3.99 0.00 -1.26 -4.11 105.19 110.27 2gya n GLY 66 Ca 0.13 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2gya n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gya n ASN 67 N 0.45 -0.11 -4.65 1.61 3.02 -1.26 -5.09 115.26 109.24 2gya n ASN 67 Ca 0.37 0.04 -0.43 0.00 -0.03 0.00 0.00 54.58 54.53 2gya n ASN 67 Cb 0.58 0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 40.03 2gya n ASN 67 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2gya s LYS 68 N -2.00 4.16 0.00 3.52 -0.14 -1.26 -4.93 119.74 119.10 2gya s LYS 68 Ca 0.00 1.10 0.00 0.00 -1.36 0.00 0.00 55.97 55.71 2gya s LYS 68 Cb 0.00 -3.67 0.00 0.00 -1.68 0.00 0.00 37.83 32.48 2gya s LYS 68 CO 0.00 -0.67 0.00 0.54 -0.76 0.00 0.00 175.35 174.46 2gya n ARG 69 N 6.35 0.00 -0.10 1.68 1.74 -1.26 -4.73 116.66 120.34 2gya n ARG 69 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2gya n ARG 69 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 2gya n ARG 69 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2gya n THR 70 N 0.00 0.92 -0.07 0.55 -1.04 -1.26 -3.31 114.28 110.08 2gya n THR 70 Ca 0.00 -0.10 -0.22 0.00 -2.04 0.00 0.00 64.05 61.69 2gya n THR 70 Cb 0.00 -1.00 -0.12 0.00 -1.82 0.00 0.00 70.33 67.38 2gya n THR 70 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2gya n ASP 71 N 0.92 1.97 -4.77 8.00 5.75 -1.26 -4.89 116.55 122.28 2gya n ASP 71 Ca 0.00 0.32 -0.36 0.00 -0.01 0.00 0.00 54.79 54.73 2gya n ASP 71 Cb 0.36 -0.90 -0.07 0.00 -1.03 0.00 0.00 41.12 39.48 2gya n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2gya s LYS 72 N -2.45 4.04 0.05 0.11 2.47 -1.21 -5.09 119.74 117.65 2gya s LYS 72 Ca -0.27 0.00 0.05 0.00 -1.56 0.00 0.00 55.97 54.19 2gya s LYS 72 Cb 0.07 -3.36 -0.02 0.00 -1.46 0.00 0.00 37.83 33.06 2gya s LYS 72 CO 0.65 0.41 -0.15 0.08 0.16 0.00 0.00 175.35 176.50 2gya s VAL 73 N -0.02 1.23 -0.12 4.02 1.01 -1.26 -4.51 120.40 120.75 2gya s VAL 73 Ca 0.15 -1.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 2gya s VAL 73 Cb -0.13 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 2gya s VAL 73 CO 0.03 0.01 -0.12 -0.72 0.00 0.00 0.00 175.10 174.31 2gya s TYR 74 N -0.90 2.83 -0.52 5.22 -0.85 -1.26 -5.08 117.35 116.79 2gya s TYR 74 Ca 0.02 -0.50 -0.16 0.00 -0.52 0.00 0.00 57.07 55.91 2gya s TYR 74 Cb -0.08 -1.83 0.11 0.00 0.38 0.00 0.00 41.96 40.54 2gya s TYR 74 CO 0.02 -0.11 0.47 -0.47 -1.52 0.00 0.00 175.55 173.94 2gya s TYR 75 N 0.16 3.24 -0.21 -3.49 5.04 -1.26 -4.39 117.35 116.44 2gya s TYR 75 Ca -0.06 -1.17 -0.01 0.00 -2.44 0.00 0.00 57.07 53.39 2gya s TYR 75 Cb -0.15 -3.61 0.02 0.00 0.35 0.00 0.00 41.96 38.57 2gya s TYR 75 CO 0.04 -0.96 -0.12 -1.01 -1.34 0.00 0.00 175.55 172.16 2gya s HIS 76 N 1.64 2.91 0.00 4.97 3.76 -1.26 -5.06 115.29 122.27 2gya s HIS 76 Ca 0.04 -1.47 0.00 0.00 -0.15 0.00 0.00 55.06 53.48 2gya s HIS 76 Cb -0.28 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.41 2gya s HIS 76 CO 0.04 -0.72 0.00 -2.39 -0.85 0.00 0.00 174.74 170.82 2gya n HIS 77 N 4.67 0.00 -3.64 1.40 1.44 -1.26 -4.78 115.22 113.05 2gya n HIS 77 Ca -0.19 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.42 2gya n HIS 77 Cb 0.49 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.57 2gya n HIS 77 CO 0.00 0.00 0.00 -0.08 -2.81 0.00 0.00 176.34 173.45 2gya s THR 78 N -2.00 0.03 -0.05 0.61 -1.32 -1.26 -5.14 115.64 106.52 2gya s THR 78 Ca 0.00 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 2gya s THR 78 Cb 0.00 -1.32 0.00 0.00 -1.51 0.00 0.00 72.50 69.67 2gya s THR 78 CO 0.00 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 172.86 2gya n GLY 79 N -0.31 0.08 3.77 6.08 0.00 -1.26 -5.05 105.19 108.49 2gya n GLY 79 Ca -0.13 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 2gya n GLY 79 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2gya s HIS 80 N -0.19 2.56 0.39 1.61 0.00 -1.26 -5.05 115.29 113.35 2gya s HIS 80 Ca 0.00 1.56 0.05 0.00 -3.00 0.00 0.00 55.06 53.67 2gya s HIS 80 Cb 0.00 -3.19 -0.00 0.00 -4.00 0.00 0.00 32.58 25.39 2gya s HIS 80 CO 0.00 -1.78 0.55 0.96 -1.00 0.00 0.00 174.74 173.46 2gya s ILE 81 N -2.35 3.79 -1.41 -5.38 -5.25 -1.26 -4.47 121.20 104.87 2gya s ILE 81 Ca 0.67 -0.88 -0.02 0.00 -0.99 0.00 0.00 60.65 59.44 2gya s ILE 81 Cb -0.21 -3.33 0.00 0.00 2.95 0.00 0.00 42.46 41.87 2gya s ILE 81 CO 0.43 -0.15 0.23 0.61 -1.79 0.00 0.00 174.94 174.26 2gya n GLY 82 N -1.81 -0.34 0.00 6.27 0.00 -1.26 -4.91 105.19 103.15 2gya n GLY 82 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2gya n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gya n GLY 83 N -1.19 1.09 3.64 -0.02 0.00 -1.26 -5.07 105.19 102.38 2gya n GLY 83 Ca -0.16 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 2gya n GLY 83 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gya s ILE 84 N 0.66 5.09 -0.17 -0.61 -4.36 -1.26 -4.96 121.20 115.58 2gya s ILE 84 Ca 0.00 0.91 -0.22 0.00 -0.26 0.00 0.00 60.65 61.08 2gya s ILE 84 Cb 0.00 -3.83 -0.22 0.00 1.25 0.00 0.00 42.46 39.65 2gya s ILE 84 CO 0.00 0.12 0.42 0.11 0.24 0.00 0.00 174.94 175.83 2gya h LYS 85 N 7.79 0.05 -5.71 0.37 6.56 -1.97 -3.48 116.57 120.17 2gya h LYS 85 Ca -0.31 -0.09 -0.25 0.00 -1.06 0.00 0.00 60.65 58.95 2gya h LYS 85 Cb 1.15 0.03 0.11 0.00 -0.57 0.00 0.00 32.23 32.94 2gya h LYS 85 CO 0.73 1.04 -0.67 0.94 -2.06 0.00 0.00 179.45 179.43 2gya n GLN 86 N -4.35 -1.69 -3.61 3.15 0.00 -1.26 -4.51 117.38 105.10 2gya n GLN 86 Ca -0.25 0.92 -0.40 0.00 -0.00 0.00 0.00 57.00 57.27 2gya n GLN 86 Cb 0.68 -5.15 -0.08 0.00 0.00 0.00 0.00 30.24 25.70 2gya n GLN 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2gya s ALA 87 N -3.28 3.59 0.27 1.69 0.00 -1.26 -4.02 121.76 118.75 2gya s ALA 87 Ca 0.31 -3.03 0.06 0.00 0.00 0.00 0.00 51.96 49.31 2gya s ALA 87 Cb -0.07 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 2gya s ALA 87 CO 0.78 -2.06 0.29 0.95 0.00 0.00 0.00 175.76 175.73 2gya s THR 88 N 0.44 4.51 0.37 0.00 -4.23 -1.26 -5.04 115.64 110.42 2gya s THR 88 Ca 0.14 -1.22 -0.21 0.00 -1.18 0.00 0.00 61.69 59.21 2gya s THR 88 Cb -0.20 -3.51 -0.10 0.00 1.34 0.00 0.00 72.50 70.03 2gya s THR 88 CO -0.04 -0.29 0.89 0.12 -0.54 0.00 0.00 174.62 174.76 2gya s PHE 89 N -2.12 3.44 0.07 3.99 5.36 -1.26 -4.34 117.98 123.12 2gya s PHE 89 Ca 0.36 1.56 -0.28 0.00 -0.96 0.00 0.00 56.93 57.61 2gya s PHE 89 Cb -0.08 -2.79 -0.14 0.00 -0.34 0.00 0.00 43.02 39.67 2gya s PHE 89 CO 0.27 0.04 1.44 1.49 -1.46 0.00 0.00 175.22 177.00 2gya h GLU 90 N 2.40 -0.77 -0.79 10.12 4.57 -1.87 -0.87 114.58 127.38 2gya h GLU 90 Ca -0.48 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 2gya h GLU 90 Cb 1.18 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 2gya h GLU 90 CO 0.63 -0.51 0.00 0.39 -1.18 0.00 0.00 179.01 178.34 2gya n GLU 91 N -4.86 0.62 -0.05 1.92 4.71 -1.26 -1.42 120.64 120.30 2gya n GLU 91 Ca -0.09 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 56.98 2gya n GLU 91 Cb 0.37 -1.28 -0.05 0.00 -1.01 0.00 0.00 31.44 29.47 2gya n GLU 91 CO 0.00 0.00 0.00 -0.12 0.09 0.00 0.00 177.13 177.10 2gya n MET 92 N 0.30 0.31 -0.01 3.49 1.56 -0.43 -4.30 117.12 118.04 2gya n MET 92 Ca 0.00 0.06 0.11 0.00 -0.27 0.00 0.00 57.70 57.60 2gya n MET 92 Cb 0.19 -1.21 0.62 0.00 2.15 0.00 0.00 33.22 34.97 2gya n MET 92 CO 0.00 0.00 0.00 1.51 -0.73 0.00 0.00 175.97 176.75 2gya n ILE 93 N -2.79 0.02 0.67 1.12 3.06 -0.51 -3.19 119.36 117.73 2gya n ILE 93 Ca -0.18 -0.04 0.08 0.00 -2.50 0.00 0.00 62.75 60.10 2gya n ILE 93 Cb 0.70 -0.25 0.37 0.00 0.54 0.00 0.00 39.64 41.00 2gya n ILE 93 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2gya n ALA 94 N -0.70 1.82 0.15 1.51 0.00 -0.99 -2.84 120.51 119.46 2gya n ALA 94 Ca 0.16 -0.07 0.19 0.00 0.00 0.00 0.00 53.44 53.72 2gya n ALA 94 Cb 0.11 -1.25 0.72 0.00 0.00 0.00 0.00 19.45 19.02 2gya n ALA 94 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2gya h ARG 95 N 0.00 0.00 0.00 0.00 2.43 -1.86 -3.35 114.38 111.60 2gya h ARG 95 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2gya h ARG 95 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2gya h ARG 95 CO 0.00 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 179.00 2gya n ARG 96 N -3.39 0.00 -3.24 0.20 1.74 -1.13 -5.02 116.66 105.83 2gya n ARG 96 Ca 0.05 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.74 2gya n ARG 96 Cb 0.62 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 32.00 2gya n ARG 96 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2gya s PRO 97 N 0.00 4.26 0.00 5.56 0.04 -1.26 -4.98 135.00 138.63 2gya s PRO 97 Ca 0.00 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.52 2gya s PRO 97 Cb 0.00 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.03 2gya s PRO 97 CO 0.00 -0.04 0.00 0.39 0.04 0.00 0.00 177.00 177.39 2gya n GLU 98 N 4.36 0.00 -3.69 4.56 4.71 -1.26 -3.67 120.64 125.65 2gya n GLU 98 Ca -0.05 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.75 2gya n GLU 98 Cb 0.51 -0.16 -0.08 0.00 -1.01 0.00 0.00 31.44 30.69 2gya n GLU 98 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2gya s ARG 99 N -1.63 2.94 0.00 3.49 1.81 -1.26 -4.73 118.95 119.56 2gya s ARG 99 Ca 0.00 -3.02 0.00 0.00 -1.72 0.00 0.00 55.73 50.99 2gya s ARG 99 Cb 0.00 -3.82 0.00 0.00 -0.45 0.00 0.00 34.95 30.68 2gya s ARG 99 CO 0.00 -1.23 0.00 1.55 -0.68 0.00 0.00 175.30 174.94 2gya n VAL 100 N 2.71 0.00 0.31 3.52 3.14 -1.26 -4.83 118.33 121.92 2gya n VAL 100 Ca 0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 2gya n VAL 100 Cb 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 2gya n VAL 100 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2gya n ILE 101 N -1.14 1.44 -0.07 1.55 -5.35 -1.26 -0.78 119.36 113.76 2gya n ILE 101 Ca 0.00 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 2gya n ILE 101 Cb 0.00 -1.22 0.00 0.00 -1.74 0.00 0.00 39.64 36.68 2gya n ILE 101 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2gya n GLU 102 N 0.96 0.18 0.07 6.28 4.07 -1.26 -4.65 120.64 126.29 2gya n GLU 102 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 2gya n GLU 102 Cb 0.49 -0.01 -0.13 0.00 -0.06 0.00 0.00 31.44 31.73 2gya n GLU 102 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 2gya h ILE 103 N 0.00 1.62 -3.61 6.31 1.08 -1.28 -3.38 117.51 118.26 2gya h ILE 103 Ca 0.00 -3.29 -0.16 0.00 -0.39 0.00 0.00 64.86 61.02 2gya h ILE 103 Cb 0.00 2.87 0.04 0.00 -3.07 0.00 0.00 36.82 36.66 2gya h ILE 103 CO 0.00 0.94 0.08 0.00 -0.69 0.00 0.00 178.15 178.48 2gya n ALA 104 N -2.42 -0.13 -2.63 1.87 0.00 -1.16 -3.60 120.51 112.44 2gya n ALA 104 Ca -0.03 -0.68 -0.07 0.00 0.00 0.00 0.00 53.44 52.66 2gya n ALA 104 Cb 0.97 0.07 -0.01 0.00 0.00 0.00 0.00 19.45 20.48 2gya n ALA 104 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2gya n VAL 105 N -2.16 0.00 0.00 0.00 3.14 -1.26 -4.31 118.33 113.74 2gya n VAL 105 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2gya n VAL 105 Cb 0.21 -0.08 0.00 0.00 -1.06 0.00 0.00 33.84 32.91 2gya n VAL 105 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 2gya n LYS 106 N -2.48 2.40 0.06 1.45 3.00 -1.25 -4.83 118.16 116.50 2gya n LYS 106 Ca 0.02 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.46 2gya n LYS 106 Cb 0.44 -0.37 0.48 0.00 0.00 0.00 0.00 35.03 35.58 2gya n LYS 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2gya n GLY 107 N 0.11 -1.51 3.31 3.14 0.00 -1.24 -4.46 105.19 104.53 2gya n GLY 107 Ca 0.00 -0.04 -0.46 0.00 0.00 0.00 0.00 46.02 45.52 2gya n GLY 107 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2gya s MET 108 N -3.08 3.31 -0.24 1.61 -1.94 -1.26 -4.83 119.30 112.86 2gya s MET 108 Ca 0.11 -2.19 -0.13 0.00 -1.71 0.00 0.00 55.69 51.77 2gya s MET 108 Cb 0.14 -4.33 -0.10 0.00 2.01 0.00 0.00 34.83 32.55 2gya s MET 108 CO 0.52 -1.29 -0.32 1.28 -0.01 0.00 0.00 175.02 175.20 2gya n LEU 109 N 4.40 1.74 0.09 -0.03 7.99 -1.26 -4.92 117.00 125.01 2gya n LEU 109 Ca 0.04 0.30 -0.13 0.00 -0.01 0.00 0.00 56.01 56.20 2gya n LEU 109 Cb 0.44 -0.72 -0.12 0.00 -0.11 0.00 0.00 43.42 42.91 2gya n LEU 109 CO 0.40 0.45 0.03 1.55 -1.51 0.00 0.00 177.39 178.32 2gya h PRO 110 N -0.88 0.23 0.00 3.23 0.13 -1.88 -3.35 132.00 129.48 2gya h PRO 110 Ca -0.58 -0.36 -0.21 0.00 -0.87 0.00 0.00 66.00 63.97 2gya h PRO 110 Cb 1.50 0.13 -0.14 0.00 0.13 0.00 0.00 31.00 32.62 2gya h PRO 110 CO -0.35 1.15 -0.32 1.63 -0.23 0.00 0.00 178.00 179.87 2gya n LYS 111 N -3.53 1.04 -3.28 0.86 4.76 -1.26 -5.05 118.16 111.70 2gya n LYS 111 Ca -0.06 -1.73 -0.23 0.00 -2.87 0.00 0.00 58.31 53.41 2gya n LYS 111 Cb 0.97 -0.34 0.02 0.00 -1.84 0.00 0.00 35.03 33.84 2gya n LYS 111 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gya n GLY 112 N -0.27 -0.66 0.97 0.72 0.00 -1.26 -4.96 105.19 99.73 2gya n GLY 112 Ca -0.02 1.07 0.00 0.00 0.00 0.00 0.00 46.02 47.06 2gya n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2gya n PRO 113 N -0.69 0.00 -1.53 1.61 -0.02 -1.26 -5.05 135.00 128.06 2gya n PRO 113 Ca -0.04 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.16 2gya n PRO 113 Cb 0.59 -0.27 -0.10 0.00 -0.02 0.00 0.00 33.50 33.70 2gya n PRO 113 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2gya n LEU 114 N 1.44 1.12 0.00 2.45 -0.00 -1.26 -4.41 117.00 116.33 2gya n LEU 114 Ca 0.00 -0.67 0.00 0.00 -0.00 0.00 0.00 56.01 55.34 2gya n LEU 114 Cb 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 43.42 42.12 2gya n LEU 114 CO 0.00 -1.70 0.00 0.61 -0.00 0.00 0.00 177.39 176.30 2gya n GLY 115 N 6.26 0.00 0.12 1.47 0.00 -1.26 -4.77 105.19 107.01 2gya n GLY 115 Ca 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.49 2gya n GLY 115 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2gya h ARG 116 N 0.00 -0.24 -0.56 1.61 9.65 -1.91 0.48 114.38 123.41 2gya h ARG 116 Ca 0.00 0.02 0.19 0.00 -1.10 0.00 0.00 59.98 59.09 2gya h ARG 116 Cb 0.00 0.06 -0.10 0.00 -1.39 0.00 0.00 29.97 28.53 2gya h ARG 116 CO 0.00 -0.16 0.15 0.00 2.80 0.00 0.00 179.97 182.76 2gya n ALA 117 N -2.33 0.43 -2.40 2.80 0.00 -1.26 -3.45 120.51 114.30 2gya n ALA 117 Ca -0.03 0.59 -0.40 0.00 0.00 0.00 0.00 53.44 53.59 2gya n ALA 117 Cb 0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 2gya n ALA 117 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2gya s MET 118 N -5.14 3.07 0.00 0.00 -2.45 0.16 -3.88 119.30 111.06 2gya s MET 118 Ca -0.06 0.10 0.00 0.00 -1.25 0.00 0.00 55.69 54.48 2gya s MET 118 Cb 0.18 -4.22 0.00 0.00 1.25 0.00 0.00 34.83 32.04 2gya s MET 118 CO 0.44 -2.26 0.00 0.34 1.05 0.00 0.00 175.02 174.59 2gya n PHE 119 N 10.25 0.00 0.40 4.11 7.35 -1.22 -4.91 117.46 133.44 2gya n PHE 119 Ca 0.09 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.88 2gya n PHE 119 Cb 0.50 0.00 0.44 0.00 0.35 0.00 0.00 39.48 40.77 2gya n PHE 119 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2gya n ARG 120 N 0.00 0.14 0.00 -4.13 1.74 -1.25 -3.13 116.66 110.03 2gya n ARG 120 Ca 0.00 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 2gya n ARG 120 Cb 0.00 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 2gya n ARG 120 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2gya n LYS 121 N -2.05 0.00 -1.18 5.56 4.76 -1.26 -4.72 118.16 119.27 2gya n LYS 121 Ca 0.02 0.42 -0.30 0.00 -2.87 0.00 0.00 58.31 55.57 2gya n LYS 121 Cb 0.20 -1.41 0.12 0.00 -1.84 0.00 0.00 35.03 32.10 2gya n LYS 121 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 2gya s LEU 122 N -3.47 2.63 -0.36 -0.35 -0.00 -1.18 -4.08 118.68 111.86 2gya s LEU 122 Ca 0.00 1.70 0.01 0.00 -0.00 0.00 0.00 54.13 55.83 2gya s LEU 122 Cb 0.00 -4.23 0.14 0.00 -0.00 0.00 0.00 46.19 42.10 2gya s LEU 122 CO 0.00 -2.43 0.23 -0.75 -0.00 0.00 0.00 176.35 173.39 2gya s LYS 123 N -4.89 0.61 0.15 1.48 2.47 -0.99 -4.88 119.74 113.69 2gya s LYS 123 Ca 0.63 -1.43 -0.30 0.00 -1.56 0.00 0.00 55.97 53.30 2gya s LYS 123 Cb -0.18 -1.34 -0.07 0.00 -1.46 0.00 0.00 37.83 34.77 2gya s LYS 123 CO 0.57 -1.23 1.23 0.14 0.16 0.00 0.00 175.35 176.22 2gya s VAL 124 N 0.94 3.63 -0.22 4.02 -7.23 -1.26 -3.80 120.40 116.48 2gya s VAL 124 Ca 0.20 1.29 -0.28 0.00 -1.81 0.00 0.00 61.98 61.37 2gya s VAL 124 Cb -0.20 -3.82 0.14 0.00 0.56 0.00 0.00 36.38 33.06 2gya s VAL 124 CO -0.01 0.17 1.11 -0.72 -0.31 0.00 0.00 175.10 175.33 2gya s TYR 125 N 0.38 -0.31 0.06 2.82 -0.85 -1.26 -4.86 117.35 113.33 2gya s TYR 125 Ca 0.56 0.61 -0.20 0.00 -0.52 0.00 0.00 57.07 57.52 2gya s TYR 125 Cb -0.33 0.44 -0.06 0.00 0.38 0.00 0.00 41.96 42.39 2gya s TYR 125 CO 0.34 -0.23 0.58 0.00 -1.52 0.00 0.00 175.55 174.72 2gya s ALA 126 N -0.67 3.56 0.00 9.51 0.00 -1.24 -4.13 121.76 128.79 2gya s ALA 126 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2gya s ALA 126 Cb -0.02 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.43 2gya s ALA 126 CO -0.03 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.48 2gya n GLY 127 N 1.86 -0.65 0.00 0.00 0.00 -1.12 -4.86 105.19 100.42 2gya n GLY 127 Ca -0.09 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2gya n GLY 127 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2gya n ASN 128 N 0.00 0.00 0.06 1.61 6.94 -1.26 -4.03 115.26 118.58 2gya n ASN 128 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.43 2gya n ASN 128 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 2gya n ASN 128 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 2gya h GLU 129 N 0.00 -0.13 -0.19 -3.83 4.39 -2.00 -2.86 114.58 109.96 2gya h GLU 129 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2gya h GLU 129 Cb 0.00 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2gya h GLU 129 CO 0.00 0.14 0.00 -2.39 -1.16 0.00 0.00 179.01 175.60 2gya n HIS 130 N -5.03 0.00 -0.07 4.33 1.44 -1.26 -2.19 115.22 112.44 2gya n HIS 130 Ca -0.08 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.49 2gya n HIS 130 Cb 0.18 -0.02 -0.14 0.00 0.12 0.00 0.00 29.99 30.13 2gya n HIS 130 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 2gya n ASN 131 N -0.30 1.04 0.00 4.39 4.13 -1.08 -3.79 115.26 119.66 2gya n ASN 131 Ca 0.00 0.10 0.09 0.00 1.68 0.00 0.00 54.58 56.45 2gya n ASN 131 Cb 0.05 0.10 0.53 0.00 -1.54 0.00 0.00 39.78 38.91 2gya n ASN 131 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2gya n HIS 132 N -3.07 0.00 -0.19 3.10 -0.00 -0.93 -3.43 115.22 110.71 2gya n HIS 132 Ca -0.32 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 57.86 2gya n HIS 132 Cb 1.07 0.00 0.09 0.00 -0.12 0.00 0.00 29.99 31.03 2gya n HIS 132 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2gya h ALA 133 N 3.31 0.59 -2.75 1.57 0.00 -1.66 -3.40 119.26 116.92 2gya h ALA 133 Ca 0.00 0.16 -0.53 0.00 0.00 0.00 0.00 54.91 54.54 2gya h ALA 133 Cb 0.00 0.26 0.14 0.00 0.00 0.00 0.00 17.79 18.19 2gya h ALA 133 CO 0.00 -0.37 0.43 0.00 0.00 0.00 0.00 179.25 179.31 2gya s ALA 134 N -6.14 2.31 -0.03 0.00 0.00 -1.22 -4.39 121.76 112.28 2gya s ALA 134 Ca -0.13 0.92 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 2gya s ALA 134 Cb 0.18 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.85 2gya s ALA 134 CO 0.73 -1.56 0.06 1.04 0.00 0.00 0.00 175.76 176.03 2gya n GLN 135 N -2.25 -3.65 -3.93 0.00 3.00 -1.26 -4.98 117.38 104.31 2gya n GLN 135 Ca 0.13 2.81 -0.30 0.00 -0.01 0.00 0.00 57.00 59.64 2gya n GLN 135 Cb 0.50 -3.68 -0.13 0.00 0.00 0.00 0.00 30.24 26.92 2gya n GLN 135 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 2gya s GLN 136 N -0.93 2.13 0.23 -1.09 -2.07 -1.26 -5.01 119.66 111.65 2gya s GLN 136 Ca -0.06 -2.82 0.01 0.00 -1.82 0.00 0.00 55.36 50.67 2gya s GLN 136 Cb 0.00 -3.36 -0.05 0.00 -1.09 0.00 0.00 33.01 28.51 2gya s GLN 136 CO 0.18 -1.16 0.07 -2.14 -1.32 0.00 0.00 175.29 170.92 2gya s PRO 137 N -0.60 1.33 0.00 9.60 0.02 -1.26 -5.17 135.00 138.91 2gya s PRO 137 Ca 0.19 -1.70 0.00 0.00 0.02 0.00 0.00 61.00 59.51 2gya s PRO 137 Cb -0.20 -0.26 0.00 0.00 0.02 0.00 0.00 34.50 34.05 2gya s PRO 137 CO -0.04 -0.25 0.00 1.04 -0.33 0.00 0.00 177.00 177.42 2gya n GLN 138 N -0.40 0.95 -3.72 5.54 6.02 -1.26 -5.02 117.38 119.49 2gya n GLN 138 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.84 2gya n GLN 138 Cb 0.65 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.81 2gya n GLN 138 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2gya s VAL 139 N 0.00 -0.00 0.00 5.09 0.11 -1.26 -5.16 120.40 119.18 2gya s VAL 139 Ca 0.00 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 2gya s VAL 139 Cb 0.00 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 2gya s VAL 139 CO 0.00 0.00 0.00 0.18 -3.33 0.00 0.00 175.10 171.95 2gya n LEU 140 N 3.03 0.00 0.00 2.54 7.99 -1.26 -5.16 117.00 124.14 2gya n LEU 140 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.86 2gya n LEU 140 Cb 0.57 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.88 2gya n LEU 140 CO 0.12 0.00 0.00 -0.67 -1.51 0.00 0.00 177.39 175.33 2gya n ASP 141 N 0.00 0.00 0.00 -1.43 2.03 -1.26 -5.07 116.55 110.82 2gya n ASP 141 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2gya n ASP 141 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2gya n ASP 141 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28