#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gya s VAL 3 N 0.00 3.21 0.20 8.89 0.11 -1.26 -4.91 120.40 126.64 2gya s VAL 3 Ca 0.00 0.28 -0.32 0.00 -2.93 0.00 0.00 61.98 59.01 2gya s VAL 3 Cb 0.00 -3.18 -0.11 0.00 -1.53 0.00 0.00 36.38 31.55 2gya s VAL 3 CO 0.00 -0.02 1.68 -0.75 -3.33 0.00 0.00 175.10 172.68 2gya s LYS 4 N 4.20 4.15 0.26 1.54 2.36 -1.26 -4.86 119.74 126.14 2gya s LYS 4 Ca 0.82 2.55 -0.11 0.00 -2.55 0.00 0.00 55.97 56.69 2gya s LYS 4 Cb -0.39 -3.09 0.40 0.00 -1.05 0.00 0.00 37.83 33.69 2gya s LYS 4 CO 0.37 -0.71 1.56 -0.09 1.55 0.00 0.00 175.35 178.03 2gya h ARG 5 N 6.71 -0.00 0.00 4.03 9.65 -1.91 -3.47 114.38 129.39 2gya h ARG 5 Ca -0.43 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 2gya h ARG 5 Cb 1.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 2gya h ARG 5 CO 0.94 -0.00 0.00 0.41 2.80 0.00 0.00 179.97 184.12 2gya n GLY 6 N -1.58 -1.66 1.48 2.80 0.00 -1.26 -4.20 105.19 100.77 2gya n GLY 6 Ca 0.14 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2gya n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2gya n VAL 7 N 0.00 1.04 -3.80 1.61 0.24 -1.26 -4.55 118.33 111.60 2gya n VAL 7 Ca 0.00 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.34 61.96 2gya n VAL 7 Cb 0.00 -1.15 -0.14 0.00 -1.47 0.00 0.00 33.84 31.08 2gya n VAL 7 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2gya s ILE 8 N 0.66 -0.02 0.16 1.34 -4.36 -1.26 -4.72 121.20 113.00 2gya s ILE 8 Ca 0.00 0.09 0.00 0.00 -0.26 0.00 0.00 60.65 60.48 2gya s ILE 8 Cb 0.00 -0.14 0.00 0.00 1.25 0.00 0.00 42.46 43.57 2gya s ILE 8 CO 0.00 0.04 0.00 0.00 0.24 0.00 0.00 174.94 175.22 2gya n ALA 9 N 3.56 -2.33 -0.10 2.27 0.00 -1.26 -4.44 120.51 118.21 2gya n ALA 9 Ca -0.19 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2gya n ALA 9 Cb 0.56 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2gya n ALA 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2gya n ARG 10 N 1.25 0.00 0.00 0.00 3.00 -1.26 -4.42 116.66 115.22 2gya n ARG 10 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2gya n ARG 10 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 30.99 2gya n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2gya n ALA 11 N -0.07 1.68 0.18 7.54 0.00 -1.26 -4.57 120.51 124.01 2gya n ALA 11 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 53.44 53.20 2gya n ALA 11 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2gya n ALA 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2gya n ARG 12 N -0.13 1.95 -0.00 0.00 5.12 -1.26 -4.59 116.66 117.75 2gya n ARG 12 Ca 0.00 -0.05 -0.13 0.00 -1.93 0.00 0.00 57.85 55.75 2gya n ARG 12 Cb 0.06 -1.08 -0.10 0.00 -1.16 0.00 0.00 32.46 30.18 2gya n ARG 12 CO 0.00 0.00 0.00 1.12 -1.93 0.00 0.00 177.63 176.82 2gya h HIS 13 N 0.00 -0.04 -1.50 -1.55 2.07 -1.91 -3.43 115.15 108.79 2gya h HIS 13 Ca 0.00 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2gya h HIS 13 Cb 0.32 0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.32 2gya h HIS 13 CO 0.00 0.47 0.00 0.36 -3.07 0.00 0.00 177.93 175.69 2gya n LYS 14 N -4.86 1.54 -1.11 5.12 2.85 -1.26 -3.97 118.16 116.47 2gya n LYS 14 Ca -0.09 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.12 2gya n LYS 14 Cb 0.27 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.63 2gya n LYS 14 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2gya n LYS 15 N 0.00 -1.83 -3.66 -1.58 4.76 -1.26 -4.71 118.16 109.87 2gya n LYS 15 Ca 0.00 0.66 -0.04 0.00 -2.87 0.00 0.00 58.31 56.06 2gya n LYS 15 Cb 0.00 -5.00 -0.01 0.00 -1.84 0.00 0.00 35.03 28.17 2gya n LYS 15 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2gya s ILE 16 N -1.42 0.00 0.00 -0.18 -1.09 -1.25 -4.83 121.20 112.43 2gya s ILE 16 Ca 0.00 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 2gya s ILE 16 Cb 0.00 -1.68 0.00 0.00 -1.58 0.00 0.00 42.46 39.20 2gya s ILE 16 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 174.94 173.89 2gya n LEU 17 N -0.39 0.00 -3.98 2.97 4.77 -1.26 -4.80 117.00 114.30 2gya n LEU 17 Ca -0.07 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.61 2gya n LEU 17 Cb 0.61 -0.25 -0.16 0.00 -2.33 0.00 0.00 43.42 41.29 2gya n LEU 17 CO 0.12 0.00 -0.46 -1.59 -1.33 0.00 0.00 177.39 174.14 2gya s LYS 18 N 0.00 1.95 0.00 3.23 0.00 -1.26 -4.43 119.74 119.23 2gya s LYS 18 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 55.97 55.21 2gya s LYS 18 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 37.83 35.52 2gya s LYS 18 CO 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 175.35 174.94 2gya n GLN 19 N 4.73 0.00 -2.58 1.78 10.64 -1.26 -4.70 117.38 125.99 2gya n GLN 19 Ca -0.14 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.60 2gya n GLN 19 Cb 0.47 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.85 2gya n GLN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2gya n ALA 20 N 0.00 3.68 0.07 2.61 0.00 -1.26 -4.55 120.51 121.07 2gya n ALA 20 Ca 0.00 -3.89 0.02 0.00 0.00 0.00 0.00 53.44 49.57 2gya n ALA 20 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 19.45 15.86 2gya n ALA 20 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2gya h LYS 21 N 7.45 0.00 -2.76 0.00 6.56 -1.96 -3.36 116.57 122.50 2gya h LYS 21 Ca 0.44 0.00 -0.61 0.00 -1.06 0.00 0.00 60.65 59.42 2gya h LYS 21 Cb 0.86 0.00 -0.42 0.00 -0.57 0.00 0.00 32.23 32.10 2gya h LYS 21 CO 1.46 0.30 -0.60 0.41 -2.06 0.00 0.00 179.45 178.96 2gya n GLY 22 N 1.32 4.17 0.00 3.86 0.00 -1.26 -5.06 105.19 108.21 2gya n GLY 22 Ca -0.05 -2.58 0.00 0.00 0.00 0.00 0.00 46.02 43.39 2gya n GLY 22 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2gya n TYR 23 N 1.64 0.00 -4.34 1.61 0.18 -1.26 -5.16 117.16 109.83 2gya n TYR 23 Ca 0.23 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.81 2gya n TYR 23 Cb 0.38 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.27 2gya n TYR 23 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 2gya n TYR 24 N 0.00 -0.39 -0.07 -3.48 4.01 -1.26 -5.05 117.16 110.91 2gya n TYR 24 Ca 0.00 -2.51 -0.14 0.00 -0.16 0.00 0.00 57.90 55.10 2gya n TYR 24 Cb 0.00 0.16 -0.09 0.00 -0.31 0.00 0.00 39.34 39.10 2gya n TYR 24 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2gya h GLY 25 N 1.72 -1.10 0.00 2.72 0.00 -2.03 -3.43 103.07 100.96 2gya h GLY 25 Ca -0.25 0.71 0.00 0.00 0.00 0.00 0.00 47.33 47.79 2gya h GLY 25 CO 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 176.54 176.73 2gya n ALA 26 N -3.02 0.00 -2.25 3.60 0.00 -1.26 -4.63 120.51 112.95 2gya n ALA 26 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 2gya n ALA 26 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 2gya n ALA 26 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2gya n ARG 27 N 0.00 -2.19 0.00 0.00 1.85 -1.26 -3.74 116.66 111.31 2gya n ARG 27 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2gya n ARG 27 Cb 0.00 -3.32 0.00 0.00 -1.05 0.00 0.00 32.46 28.09 2gya n ARG 27 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2gya n SER 28 N -1.18 0.00 -0.04 2.89 2.88 -1.26 -4.43 113.62 112.48 2gya n SER 28 Ca 0.01 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.46 2gya n SER 28 Cb 0.36 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.68 2gya n SER 28 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2gya n ARG 29 N -0.75 0.64 -4.23 -1.46 1.74 -1.25 -4.72 116.66 106.65 2gya n ARG 29 Ca 0.00 0.24 -0.28 0.00 -0.77 0.00 0.00 57.85 57.04 2gya n ARG 29 Cb 0.00 -1.74 -0.09 0.00 -1.02 0.00 0.00 32.46 29.61 2gya n ARG 29 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2gya s VAL 30 N -2.58 3.50 -0.10 1.55 1.01 -1.26 -5.03 120.40 117.49 2gya s VAL 30 Ca -0.06 -1.42 0.21 0.00 0.00 0.00 0.00 61.98 60.71 2gya s VAL 30 Cb 0.08 -2.71 -0.25 0.00 0.00 0.00 0.00 36.38 33.49 2gya s VAL 30 CO 0.82 -0.03 0.51 0.00 0.00 0.00 0.00 175.10 176.40 2gya n TYR 31 N 0.19 0.25 0.37 5.22 4.11 -1.26 -2.40 117.16 123.64 2gya n TYR 31 Ca -0.11 0.08 0.01 0.00 -0.00 0.00 0.00 57.90 57.88 2gya n TYR 31 Cb 0.54 -0.73 0.13 0.00 -0.00 0.00 0.00 39.34 39.27 2gya n TYR 31 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2gya n ARG 32 N -2.49 2.19 0.00 -3.48 5.12 -1.26 -2.87 116.66 113.87 2gya n ARG 32 Ca -0.10 -1.03 0.00 0.00 -1.93 0.00 0.00 57.85 54.79 2gya n ARG 32 Cb 0.72 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 2gya n ARG 32 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2gya n VAL 33 N 0.18 0.00 -2.11 1.55 0.24 -1.26 -5.01 118.33 111.92 2gya n VAL 33 Ca 0.10 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 62.05 2gya n VAL 33 Cb 0.60 -0.04 0.02 0.00 -1.47 0.00 0.00 33.84 32.95 2gya n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gya s ALA 34 N -1.09 2.60 0.11 2.33 0.00 -1.01 -2.62 121.76 122.10 2gya s ALA 34 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2gya s ALA 34 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2gya s ALA 34 CO 0.00 -1.01 0.00 1.19 0.00 0.00 0.00 175.76 175.94 2gya n PHE 35 N -1.48 -3.16 0.00 0.00 3.72 -1.26 -4.61 117.46 110.66 2gya n PHE 35 Ca 0.13 1.90 0.00 0.00 -0.05 0.00 0.00 57.45 59.43 2gya n PHE 35 Cb 0.50 -3.10 0.00 0.00 -0.94 0.00 0.00 39.48 35.94 2gya n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2gya n GLN 36 N 1.20 0.00 -0.08 -1.08 10.64 -1.26 -4.71 117.38 122.09 2gya n GLN 36 Ca 0.00 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 55.00 2gya n GLN 36 Cb 0.00 -0.34 -0.06 0.00 -0.86 0.00 0.00 30.24 28.98 2gya n GLN 36 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2gya n ALA 37 N -1.50 1.91 1.27 2.61 0.00 -1.08 -4.37 120.51 119.35 2gya n ALA 37 Ca 0.00 -0.65 0.13 0.00 0.00 0.00 0.00 53.44 52.92 2gya n ALA 37 Cb 0.00 0.27 0.49 0.00 0.00 0.00 0.00 19.45 20.21 2gya n ALA 37 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2gya n VAL 38 N -3.64 0.00 -0.04 0.00 0.24 -1.26 -3.12 118.33 110.51 2gya n VAL 38 Ca -0.32 -0.07 -0.10 0.00 -2.04 0.00 0.00 64.34 61.82 2gya n VAL 38 Cb 0.74 0.07 0.05 0.00 -1.47 0.00 0.00 33.84 33.24 2gya n VAL 38 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 2gya h ILE 39 N 0.65 1.29 -0.19 1.34 2.10 -1.89 -0.27 117.51 120.55 2gya h ILE 39 Ca 0.00 -1.61 -0.11 0.00 1.08 0.00 0.00 64.86 64.22 2gya h ILE 39 Cb 0.43 1.54 -0.01 0.00 -1.09 0.00 0.00 36.82 37.69 2gya h ILE 39 CO 0.00 0.52 -0.34 0.50 -1.08 0.00 0.00 178.15 177.75 2gya h LYS 40 N 0.55 0.39 -7.39 2.19 1.63 -1.74 -3.36 116.57 108.85 2gya h LYS 40 Ca 0.04 -0.17 -0.43 0.00 -0.85 0.00 0.00 60.65 59.24 2gya h LYS 40 Cb 0.97 -0.01 0.18 0.00 -0.60 0.00 0.00 32.23 32.76 2gya h LYS 40 CO 0.09 0.68 0.16 0.00 -3.45 0.00 0.00 179.45 176.94 2gya s ALA 41 N -4.31 0.78 0.00 5.00 0.00 -0.11 -2.50 121.76 120.61 2gya s ALA 41 Ca -0.06 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2gya s ALA 41 Cb 0.13 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.26 2gya s ALA 41 CO 0.79 -3.23 0.00 0.41 0.00 0.00 0.00 175.76 173.73 2gya n GLY 42 N -1.08 1.18 0.00 0.00 0.00 -1.25 -4.66 105.19 99.38 2gya n GLY 42 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2gya n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gya n GLN 43 N 0.00 3.76 0.00 1.61 10.64 -1.14 -2.85 117.38 129.41 2gya n GLN 43 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2gya n GLN 43 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2gya n GLN 43 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 2gya n TYR 44 N 0.00 0.00 -2.57 2.61 0.18 -1.04 -2.54 117.16 113.81 2gya n TYR 44 Ca 0.00 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.81 2gya n TYR 44 Cb 0.00 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 38.99 2gya n TYR 44 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2gya n ALA 45 N 0.00 2.50 -0.31 -3.48 0.00 -1.26 -4.84 120.51 113.12 2gya n ALA 45 Ca 0.00 -2.51 0.26 0.00 0.00 0.00 0.00 53.44 51.19 2gya n ALA 45 Cb 0.00 -0.76 0.43 0.00 0.00 0.00 0.00 19.45 19.12 2gya n ALA 45 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2gya n TYR 46 N 0.11 0.37 -2.65 0.00 4.11 -1.05 -2.19 117.16 115.86 2gya n TYR 46 Ca 0.07 0.37 -0.04 0.00 -0.00 0.00 0.00 57.90 58.30 2gya n TYR 46 Cb 1.03 -0.74 0.03 0.00 -0.00 0.00 0.00 39.34 39.66 2gya n TYR 46 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2gya n ARG 47 N -3.79 0.48 0.00 -3.48 5.12 -1.26 -4.89 116.66 108.84 2gya n ARG 47 Ca 0.25 -0.94 0.00 0.00 -1.93 0.00 0.00 57.85 55.24 2gya n ARG 47 Cb 1.01 0.01 0.00 0.00 -1.16 0.00 0.00 32.46 32.32 2gya n ARG 47 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2gya n ASP 48 N -0.55 0.00 0.00 0.55 8.00 -0.93 -4.87 116.55 118.76 2gya n ASP 48 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2gya n ASP 48 Cb 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 2gya n ASP 48 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2gya n ARG 49 N -0.44 0.00 -0.33 -1.24 1.85 -1.26 0.31 116.66 115.54 2gya n ARG 49 Ca 0.00 0.00 0.19 0.00 -1.00 0.00 0.00 57.85 57.04 2gya n ARG 49 Cb 0.00 0.00 0.36 0.00 -1.05 0.00 0.00 32.46 31.77 2gya n ARG 49 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 2gya h ARG 50 N 0.00 0.03 -1.11 2.89 1.12 -1.96 0.62 114.38 115.97 2gya h ARG 50 Ca 0.00 -0.00 0.31 0.00 -1.11 0.00 0.00 59.98 59.17 2gya h ARG 50 Cb 0.00 -0.01 -0.08 0.00 -0.01 0.00 0.00 29.97 29.87 2gya h ARG 50 CO 0.00 0.02 0.74 0.37 -3.11 0.00 0.00 179.97 178.00 2gya h GLN 51 N 0.04 0.23 -0.73 0.20 5.75 -0.48 -2.65 115.11 117.47 2gya h GLN 51 Ca 0.66 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 59.21 2gya h GLN 51 Cb 1.47 -0.05 -0.09 0.00 1.07 0.00 0.00 27.48 29.87 2gya h GLN 51 CO -0.85 0.15 -0.50 0.00 -2.65 0.00 0.00 178.83 174.98 2gya h ARG 52 N 0.24 -0.08 -7.10 1.69 2.47 0.01 -3.24 114.38 108.37 2gya h ARG 52 Ca 0.61 0.01 -0.54 0.00 -1.26 0.00 0.00 59.98 58.79 2gya h ARG 52 Cb 1.85 0.02 0.13 0.00 -1.65 0.00 0.00 29.97 30.31 2gya h ARG 52 CO -0.22 -0.06 0.49 0.15 0.56 0.00 0.00 179.97 180.90 2gya s LYS 53 N -5.18 2.87 0.00 0.04 -0.14 -1.00 -1.15 119.74 115.18 2gya s LYS 53 Ca -0.11 1.92 0.00 0.00 -1.36 0.00 0.00 55.97 56.42 2gya s LYS 53 Cb 0.09 -1.92 0.00 0.00 -1.68 0.00 0.00 37.83 34.31 2gya s LYS 53 CO 0.53 -1.31 0.00 0.54 -0.76 0.00 0.00 175.35 174.35 2gya n ARG 54 N -1.64 -0.86 0.00 1.68 1.74 -1.26 -4.74 116.66 111.57 2gya n ARG 54 Ca 0.14 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 2gya n ARG 54 Cb 0.49 -3.98 0.00 0.00 -1.02 0.00 0.00 32.46 27.94 2gya n ARG 54 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2gya n GLN 55 N -1.07 0.00 0.00 5.56 0.00 -0.30 -4.69 117.38 116.89 2gya n GLN 55 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 57.11 2gya n GLN 55 Cb 0.22 -0.02 0.65 0.00 0.00 0.00 0.00 30.24 31.08 2gya n GLN 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2gya n PHE 56 N -2.17 0.00 1.79 3.69 7.35 -0.64 -2.49 117.46 125.00 2gya n PHE 56 Ca 0.00 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.80 2gya n PHE 56 Cb 0.00 0.00 0.68 0.00 0.35 0.00 0.00 39.48 40.51 2gya n PHE 56 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2gya n ARG 57 N -0.86 0.90 0.00 -4.13 1.74 -1.26 -2.14 116.66 110.91 2gya n ARG 57 Ca 0.16 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.32 2gya n ARG 57 Cb 0.07 -1.40 0.33 0.00 -1.02 0.00 0.00 32.46 30.44 2gya n ARG 57 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gya n GLN 58 N -0.90 0.01 -1.84 5.56 -0.00 -1.04 -4.51 117.38 114.66 2gya n GLN 58 Ca 0.17 0.24 -0.04 0.00 -0.00 0.00 0.00 57.00 57.37 2gya n GLN 58 Cb 0.08 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 28.82 2gya n GLN 58 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2gya n LEU 59 N -1.49 0.00 -0.14 2.61 7.94 -0.91 -4.46 117.00 120.56 2gya n LEU 59 Ca 0.04 -0.44 -0.02 0.00 -1.11 0.00 0.00 56.01 54.48 2gya n LEU 59 Cb 0.17 -0.01 -0.01 0.00 0.53 0.00 0.00 43.42 44.11 2gya n LEU 59 CO 0.14 -0.31 -0.02 0.79 -1.11 0.00 0.00 177.39 176.88 2gya n TRP 60 N -0.71 0.00 -3.00 1.96 5.03 -1.26 -4.65 117.44 114.81 2gya n TRP 60 Ca -0.00 0.00 0.04 0.00 3.03 0.00 0.00 57.50 60.56 2gya n TRP 60 Cb 0.10 -1.88 0.00 0.00 -1.03 0.00 0.00 31.31 28.50 2gya n TRP 60 CO 0.00 0.00 0.00 0.96 -0.03 0.00 0.00 177.69 178.62 2gya s ILE 61 N -1.28 -0.32 0.00 -0.99 -5.25 -1.26 -4.76 121.20 107.33 2gya s ILE 61 Ca 0.00 0.00 0.00 0.00 -0.99 0.00 0.00 60.65 59.66 2gya s ILE 61 Cb 0.00 -0.17 0.00 0.00 2.95 0.00 0.00 42.46 45.24 2gya s ILE 61 CO 0.00 0.00 0.00 0.00 -1.79 0.00 0.00 174.94 173.15 2gya n ALA 62 N 4.51 0.00 0.00 2.27 0.00 -1.26 -4.76 120.51 121.27 2gya n ALA 62 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2gya n ALA 62 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2gya n ALA 62 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2gya n ARG 63 N 0.00 0.00 0.25 0.00 0.00 -1.26 -4.70 116.66 110.95 2gya n ARG 63 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 57.95 2gya n ARG 63 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 32.46 33.10 2gya n ARG 63 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.63 176.79 2gya h ILE 64 N 0.00 0.73 0.00 5.15 -0.00 -1.88 0.85 117.51 122.36 2gya h ILE 64 Ca 0.00 -0.64 -0.02 0.00 -0.00 0.00 0.00 64.86 64.20 2gya h ILE 64 Cb 0.00 1.39 -0.00 0.00 -0.00 0.00 0.00 36.82 38.21 2gya h ILE 64 CO 0.00 0.15 -1.06 -0.46 -0.00 0.00 0.00 178.15 176.78 2gya n ASN 65 N -3.79 0.85 0.05 2.16 0.23 -1.26 -2.01 115.26 111.48 2gya n ASN 65 Ca -0.02 0.33 0.13 0.00 -0.53 0.00 0.00 54.58 54.50 2gya n ASN 65 Cb 0.26 0.42 0.52 0.00 -2.08 0.00 0.00 39.78 38.90 2gya n ASN 65 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2gya n ALA 66 N -2.21 2.27 -0.09 -2.53 0.00 0.16 -2.84 120.51 115.27 2gya n ALA 66 Ca -0.01 -0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 2gya n ALA 66 Cb 0.59 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 2gya n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gya h ALA 67 N 2.77 0.18 -3.00 0.00 0.00 0.57 -3.47 119.26 116.31 2gya h ALA 67 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2gya h ALA 67 Cb 0.59 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2gya h ALA 67 CO 0.00 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.80 2gya n ALA 68 N -3.31 0.00 -3.72 0.00 0.00 -0.85 -4.55 120.51 108.08 2gya n ALA 68 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.89 2gya n ALA 68 Cb 0.56 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.04 2gya n ALA 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2gya n ARG 69 N 0.00 -1.09 0.00 0.00 0.63 -0.73 -4.57 116.66 110.91 2gya n ARG 69 Ca 0.00 0.52 0.00 0.00 -0.92 0.00 0.00 57.85 57.45 2gya n ARG 69 Cb 0.00 -3.70 0.00 0.00 0.45 0.00 0.00 32.46 29.21 2gya n ARG 69 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2gya n GLN 70 N -3.92 0.00 -2.69 -0.14 7.27 -1.26 -4.91 117.38 111.73 2gya n GLN 70 Ca -0.12 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 56.88 2gya n GLN 70 Cb 0.59 0.00 0.04 0.00 2.41 0.00 0.00 30.24 33.28 2gya n GLN 70 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2gya n ASN 71 N 0.00 1.92 0.00 1.69 5.03 -1.26 -5.10 115.26 117.54 2gya n ASN 71 Ca 0.00 -2.51 0.00 0.00 0.87 0.00 0.00 54.58 52.94 2gya n ASN 71 Cb 0.00 -0.49 0.00 0.00 -1.02 0.00 0.00 39.78 38.27 2gya n ASN 71 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2gya n GLY 72 N -0.38 0.25 1.87 7.41 0.00 -1.26 -5.00 105.19 108.07 2gya n GLY 72 Ca 0.12 -2.05 -0.15 0.00 0.00 0.00 0.00 46.02 43.94 2gya n GLY 72 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2gya n ILE 73 N 0.00 0.00 -3.82 -0.61 -0.00 -1.26 -3.02 119.36 110.65 2gya n ILE 73 Ca 0.00 -0.40 -0.01 0.00 -0.00 0.00 0.00 62.75 62.34 2gya n ILE 73 Cb 0.00 -1.52 -0.00 0.00 -0.00 0.00 0.00 39.64 38.12 2gya n ILE 73 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2gya n SER 74 N -3.61 -0.05 0.00 7.28 3.41 -1.26 -1.77 113.62 117.61 2gya n SER 74 Ca 0.08 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 2gya n SER 74 Cb 0.29 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2gya n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gya n TYR 75 N -0.03 0.00 -0.18 7.33 4.11 -1.26 -1.94 117.16 125.18 2gya n TYR 75 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.82 2gya n TYR 75 Cb 0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.33 2gya n TYR 75 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2gya h SER 76 N 0.00 -1.45 -0.38 9.48 4.64 -1.99 -2.94 113.55 120.92 2gya h SER 76 Ca 0.00 0.24 -0.22 0.00 -0.47 0.00 0.00 61.79 61.33 2gya h SER 76 Cb 0.00 0.65 -0.14 0.00 -0.31 0.00 0.00 62.40 62.61 2gya h SER 76 CO 0.00 -0.34 -0.18 1.17 -0.87 0.00 0.00 176.83 176.60 2gya n LYS 77 N -5.41 2.03 -0.07 4.77 4.81 -0.82 -4.50 118.16 118.97 2gya n LYS 77 Ca 0.01 -3.33 -0.08 0.00 -0.87 0.00 0.00 58.31 54.04 2gya n LYS 77 Cb 0.35 -1.86 -0.10 0.00 0.02 0.00 0.00 35.03 33.44 2gya n LYS 77 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 2gya n PHE 78 N -1.07 0.00 -1.43 5.64 -1.74 -1.11 -4.38 117.46 113.36 2gya n PHE 78 Ca 0.34 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 56.99 2gya n PHE 78 Cb 0.96 -0.67 0.13 0.00 1.52 0.00 0.00 39.48 41.42 2gya n PHE 78 CO 0.00 0.00 0.00 1.51 -0.56 0.00 0.00 176.76 177.71 2gya n ILE 79 N -2.64 3.12 -2.88 1.97 3.06 -1.22 -4.19 119.36 116.57 2gya n ILE 79 Ca -0.24 -2.81 -0.10 0.00 -2.50 0.00 0.00 62.75 57.10 2gya n ILE 79 Cb 0.91 -0.78 -0.00 0.00 0.54 0.00 0.00 39.64 40.31 2gya n ILE 79 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 2gya n ASN 80 N -1.00 -2.60 0.00 9.51 2.85 -1.26 -4.68 115.26 118.08 2gya n ASN 80 Ca 0.53 -2.94 0.00 0.00 -0.11 0.00 0.00 54.58 52.06 2gya n ASN 80 Cb 1.07 1.26 0.00 0.00 1.24 0.00 0.00 39.78 43.36 2gya n ASN 80 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2gya n GLY 81 N 2.43 -0.10 0.10 8.20 0.00 -1.26 -4.82 105.19 109.74 2gya n GLY 81 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 2gya n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gya n LEU 82 N 0.00 1.34 -1.76 0.99 -0.00 -1.26 -3.70 117.00 112.61 2gya n LEU 82 Ca 0.00 0.29 -0.06 0.00 -0.00 0.00 0.00 56.01 56.24 2gya n LEU 82 Cb 0.00 -0.18 0.27 0.00 -0.00 0.00 0.00 43.42 43.51 2gya n LEU 82 CO 0.00 0.55 0.98 0.29 -0.00 0.00 0.00 177.39 179.20 2gya n LYS 83 N -3.14 3.15 0.00 1.96 5.02 -1.26 -4.11 118.16 119.78 2gya n LYS 83 Ca -0.24 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 52.98 2gya n LYS 83 Cb 1.06 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 2gya n LYS 83 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2gya n LYS 84 N -0.48 0.00 -4.21 1.97 3.00 -1.24 -5.02 118.16 112.17 2gya n LYS 84 Ca 0.40 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.36 2gya n LYS 84 Cb 1.31 -0.10 -0.09 0.00 0.00 0.00 0.00 35.03 36.15 2gya n LYS 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2gya s ALA 85 N -3.82 3.37 0.00 3.14 0.00 -1.25 -5.00 121.76 118.20 2gya s ALA 85 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2gya s ALA 85 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.45 2gya s ALA 85 CO 0.00 0.45 0.00 -1.13 0.00 0.00 0.00 175.76 175.08 2gya n SER 86 N 2.61 0.00 0.00 0.00 3.41 -1.26 -4.54 113.62 113.84 2gya n SER 86 Ca -0.18 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.48 2gya n SER 86 Cb 0.53 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.72 2gya n SER 86 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2gya n VAL 87 N 0.11 0.86 -2.65 -3.33 0.24 -1.26 -4.92 118.33 107.37 2gya n VAL 87 Ca 0.00 0.22 -0.03 0.00 -2.04 0.00 0.00 64.34 62.49 2gya n VAL 87 Cb 0.00 -1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 31.29 2gya n VAL 87 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2gya n GLU 88 N -1.32 -4.10 -2.60 7.34 0.00 -1.26 -4.91 120.64 113.79 2gya n GLU 88 Ca 0.04 3.16 -0.42 0.00 0.00 0.00 0.00 57.16 59.94 2gya n GLU 88 Cb 0.08 -5.25 -0.03 0.00 0.00 0.00 0.00 31.44 26.24 2gya n GLU 88 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 2gya s ILE 89 N -1.15 4.56 0.67 6.31 -1.16 -1.26 -5.00 121.20 124.17 2gya s ILE 89 Ca -0.15 1.84 -0.17 0.00 -0.51 0.00 0.00 60.65 61.65 2gya s ILE 89 Cb 0.01 -4.18 -0.00 0.00 0.61 0.00 0.00 42.46 38.90 2gya s ILE 89 CO 0.80 0.12 1.25 -0.90 -2.81 0.00 0.00 174.94 173.40 2gya n ASP 90 N 4.07 1.80 -4.25 4.50 5.75 -1.26 -4.97 116.55 122.19 2gya n ASP 90 Ca 0.07 0.79 -0.43 0.00 -0.01 0.00 0.00 54.79 55.21 2gya n ASP 90 Cb 0.49 -1.53 -0.06 0.00 -1.03 0.00 0.00 41.12 38.99 2gya n ASP 90 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2gya s ARG 91 N -3.42 2.95 0.08 0.11 3.52 -1.26 -4.59 118.95 116.34 2gya s ARG 91 Ca 0.81 -2.08 0.00 0.00 -0.13 0.00 0.00 55.73 54.33 2gya s ARG 91 Cb -0.37 -4.14 0.00 0.00 -1.56 0.00 0.00 34.95 28.88 2gya s ARG 91 CO 0.42 -1.25 0.00 1.63 -0.81 0.00 0.00 175.30 175.29 2gya n LYS 92 N 4.49 0.00 0.05 5.12 4.76 -1.26 -4.79 118.16 126.54 2gya n LYS 92 Ca -0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 2gya n LYS 92 Cb 0.42 0.00 0.22 0.00 -1.84 0.00 0.00 35.03 33.83 2gya n LYS 92 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 2gya h ILE 93 N 0.00 1.27 -3.95 -0.18 3.07 -2.00 -3.41 117.51 112.30 2gya h ILE 93 Ca 0.00 -1.32 -0.48 0.00 1.55 0.00 0.00 64.86 64.60 2gya h ILE 93 Cb 0.00 1.46 0.17 0.00 -0.27 0.00 0.00 36.82 38.18 2gya h ILE 93 CO 0.00 0.41 0.19 -0.22 -1.05 0.00 0.00 178.15 177.48 2gya s LEU 94 N -8.53 2.14 -0.99 0.16 1.98 -1.26 -3.06 118.68 109.11 2gya s LEU 94 Ca -0.06 1.71 -0.00 0.00 -2.89 0.00 0.00 54.13 52.88 2gya s LEU 94 Cb 0.14 -4.02 0.00 0.00 0.66 0.00 0.00 46.19 42.97 2gya s LEU 94 CO 0.78 -3.09 0.83 0.00 -1.89 0.00 0.00 176.35 172.98 2gya n ALA 95 N -4.20 -1.62 0.00 5.97 0.00 -1.26 -4.59 120.51 114.82 2gya n ALA 95 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2gya n ALA 95 Cb 0.54 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2gya n ALA 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2gya n ASP 96 N -2.71 0.00 -0.08 0.00 2.03 -1.21 -4.21 116.55 110.36 2gya n ASP 96 Ca -0.22 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 54.94 2gya n ASP 96 Cb 0.63 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.90 2gya n ASP 96 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2gya n ILE 97 N 0.00 1.52 -1.01 5.18 -6.64 -1.17 -4.29 119.36 112.95 2gya n ILE 97 Ca 0.00 -0.70 -0.15 0.00 -1.77 0.00 0.00 62.75 60.13 2gya n ILE 97 Cb 0.00 -1.14 -0.15 0.00 -1.44 0.00 0.00 39.64 36.91 2gya n ILE 97 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2gya n ALA 98 N -2.98 6.40 0.03 -1.28 0.00 -1.26 -3.46 120.51 117.96 2gya n ALA 98 Ca -0.36 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.09 2gya n ALA 98 Cb 1.06 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 18.07 2gya n ALA 98 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2gya n VAL 99 N 2.64 0.00 -0.04 0.00 3.14 -1.26 -4.57 118.33 118.24 2gya n VAL 99 Ca 0.46 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.80 2gya n VAL 99 Cb 0.82 -0.09 0.15 0.00 -1.06 0.00 0.00 33.84 33.65 2gya n VAL 99 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 2gya n PHE 100 N -2.62 1.30 -3.26 1.45 0.99 -1.22 -4.73 117.46 109.37 2gya n PHE 100 Ca 0.00 -0.77 0.03 0.00 -0.00 0.00 0.00 57.45 56.72 2gya n PHE 100 Cb 0.00 -0.45 -0.03 0.00 -1.00 0.00 0.00 39.48 38.00 2gya n PHE 100 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 2gya s ASP 101 N -0.27 -0.69 0.00 4.37 1.47 -1.24 -5.01 116.67 115.29 2gya s ASP 101 Ca 0.28 0.63 0.00 0.00 1.18 0.00 0.00 52.55 54.64 2gya s ASP 101 Cb 0.23 1.65 0.00 0.00 -0.34 0.00 0.00 42.92 44.46 2gya s ASP 101 CO 0.07 -0.13 0.41 2.29 0.68 0.00 0.00 175.17 178.49 2gya n LYS 102 N 5.27 0.45 -4.13 2.11 0.00 -1.26 -4.47 118.16 116.13 2gya n LYS 102 Ca -0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.13 2gya n LYS 102 Cb 0.53 -1.27 -0.08 0.00 -0.00 0.00 0.00 35.03 34.21 2gya n LYS 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2gya s VAL 103 N 0.28 0.00 0.00 0.58 -7.23 -1.26 -4.86 120.40 107.91 2gya s VAL 103 Ca 0.00 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 2gya s VAL 103 Cb 0.00 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.54 2gya s VAL 103 CO 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.79 2gya n ALA 104 N -0.32 0.00 -0.22 1.32 0.00 -1.26 -4.55 120.51 115.48 2gya n ALA 104 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 2gya n ALA 104 Cb 0.64 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.12 2gya n ALA 104 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2gya h PHE 105 N 0.00 1.17 0.00 0.00 -0.00 -1.85 -1.07 116.94 115.19 2gya h PHE 105 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 57.97 57.78 2gya h PHE 105 Cb 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 35.95 35.64 2gya h PHE 105 CO 0.00 1.01 0.00 0.00 -0.00 0.00 0.00 178.31 179.32 2gya h THR 106 N 0.99 0.00 0.00 0.88 1.03 -1.91 -3.25 112.91 110.65 2gya h THR 106 Ca 0.18 -0.63 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 2gya h THR 106 Cb 0.52 1.59 0.00 0.00 -1.07 0.00 0.00 68.15 69.19 2gya h THR 106 CO 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.53 2gya n ALA 107 N -1.92 3.84 -1.08 0.00 0.00 -0.40 -2.00 120.51 118.95 2gya n ALA 107 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2gya n ALA 107 Cb 0.43 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2gya n ALA 107 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2gya n LEU 108 N 1.46 0.00 -0.02 0.00 -0.00 -1.23 -4.88 117.00 112.33 2gya n LEU 108 Ca 0.00 -0.30 -0.03 0.00 -0.00 0.00 0.00 56.01 55.68 2gya n LEU 108 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.87 2gya n LEU 108 CO 0.00 0.46 -0.66 1.33 -0.00 0.00 0.00 177.39 178.52 2gya n VAL 109 N 0.00 0.32 1.31 1.96 0.24 -0.85 -3.97 118.33 117.35 2gya n VAL 109 Ca 0.00 -0.18 0.13 0.00 -2.04 0.00 0.00 64.34 62.26 2gya n VAL 109 Cb 0.24 -0.83 0.43 0.00 -1.47 0.00 0.00 33.84 32.20 2gya n VAL 109 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2gya n GLU 110 N -2.31 1.03 -0.09 7.34 0.28 -1.17 -3.22 120.64 122.50 2gya n GLU 110 Ca -0.08 -0.59 -0.20 0.00 -0.16 0.00 0.00 57.16 56.13 2gya n GLU 110 Cb 0.64 -1.49 -0.12 0.00 1.43 0.00 0.00 31.44 31.90 2gya n GLU 110 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2gya h LYS 111 N 1.45 0.00 0.00 3.44 3.11 -1.82 -3.42 116.57 119.33 2gya h LYS 111 Ca 0.00 -0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.57 2gya h LYS 111 Cb 0.50 0.00 0.11 0.00 -1.00 0.00 0.00 32.23 31.84 2gya h LYS 111 CO 0.00 1.00 0.26 0.00 -2.81 0.00 0.00 179.45 177.90 2gya n ALA 112 N -3.17 -0.94 -0.40 5.00 0.00 -1.20 -3.50 120.51 116.31 2gya n ALA 112 Ca -0.25 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.11 2gya n ALA 112 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2gya n ALA 112 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2gya n LYS 113 N -2.74 0.00 -4.19 0.00 4.01 -1.26 -4.78 118.16 109.20 2gya n LYS 113 Ca 0.10 0.00 -0.18 0.00 -0.51 0.00 0.00 58.31 57.72 2gya n LYS 113 Cb 0.36 -4.19 -0.12 0.00 -0.51 0.00 0.00 35.03 30.57 2gya n LYS 113 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2gya s ALA 114 N -1.23 1.28 -2.17 7.82 0.00 -1.23 -4.61 121.76 121.63 2gya s ALA 114 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2gya s ALA 114 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.02 2gya s ALA 114 CO 0.00 0.16 0.00 0.00 0.00 0.00 0.00 175.76 175.92 2gya n ALA 115 N 1.08 -0.31 1.05 0.00 0.00 -1.26 -4.94 120.51 116.13 2gya n ALA 115 Ca -0.20 0.33 0.08 0.00 0.00 0.00 0.00 53.44 53.66 2gya n ALA 115 Cb 0.55 -2.02 0.50 0.00 0.00 0.00 0.00 19.45 18.48 2gya n ALA 115 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97