#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gya s ILE 4 N 0.00 5.01 0.04 -0.18 -0.00 -1.26 -5.10 121.20 119.71 2gya s ILE 4 Ca 0.00 0.03 0.07 0.00 -0.00 0.00 0.00 60.65 60.75 2gya s ILE 4 Cb 0.00 -3.21 -0.02 0.00 -0.00 0.00 0.00 42.46 39.22 2gya s ILE 4 CO 0.00 0.53 -0.19 -0.13 -0.00 0.00 0.00 174.94 175.16 2gya s ARG 5 N -0.29 1.24 0.00 0.37 1.81 -1.26 -5.00 118.95 115.82 2gya s ARG 5 Ca 0.09 -0.88 0.08 0.00 -1.72 0.00 0.00 55.73 53.29 2gya s ARG 5 Cb -0.12 -1.32 0.33 0.00 -0.45 0.00 0.00 34.95 33.39 2gya s ARG 5 CO 0.01 0.33 1.22 -2.13 -0.68 0.00 0.00 175.30 174.06 2gya n ARG 6 N 1.86 0.01 0.00 3.54 0.63 -1.26 -1.07 116.66 120.37 2gya n ARG 6 Ca -0.17 0.35 0.14 0.00 -0.92 0.00 0.00 57.85 57.24 2gya n ARG 6 Cb 0.54 -1.50 0.45 0.00 0.45 0.00 0.00 32.46 32.39 2gya n ARG 6 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2gya n ASP 7 N -1.47 1.40 -4.78 6.15 2.03 -1.26 -3.52 116.55 115.11 2gya n ASP 7 Ca 0.02 -1.31 -0.36 0.00 0.52 0.00 0.00 54.79 53.67 2gya n ASP 7 Cb 0.08 0.05 -0.08 0.00 -0.72 0.00 0.00 41.12 40.46 2gya n ASP 7 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2gya s ASP 8 N -2.18 6.00 0.17 1.67 1.01 -0.23 -4.52 116.67 118.59 2gya s ASP 8 Ca 0.32 0.30 -0.29 0.00 0.71 0.00 0.00 52.55 53.60 2gya s ASP 8 Cb 0.20 -1.94 -0.07 0.00 1.01 0.00 0.00 42.92 42.12 2gya s ASP 8 CO 0.40 0.33 0.91 -1.61 0.21 0.00 0.00 175.17 175.41 2gya s GLU 9 N -0.55 4.74 0.29 8.23 2.02 -1.22 -3.40 118.70 128.81 2gya s GLU 9 Ca 0.12 1.40 0.10 0.00 0.02 0.00 0.00 54.97 56.61 2gya s GLU 9 Cb -0.12 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.75 2gya s GLU 9 CO 0.02 0.40 -0.07 0.08 0.02 0.00 0.00 175.26 175.71 2gya s VAL 10 N -0.69 2.86 -0.22 2.63 1.01 -0.08 -4.32 120.40 121.59 2gya s VAL 10 Ca 0.42 -2.11 -0.02 0.00 0.00 0.00 0.00 61.98 60.27 2gya s VAL 10 Cb -0.24 -2.63 0.07 0.00 0.00 0.00 0.00 36.38 33.57 2gya s VAL 10 CO 0.30 -0.33 0.02 -0.63 0.00 0.00 0.00 175.10 174.46 2gya s ILE 11 N -2.45 0.84 0.87 2.22 -1.09 -1.13 -2.91 121.20 117.54 2gya s ILE 11 Ca 0.32 -0.87 -0.12 0.00 -2.23 0.00 0.00 60.65 57.75 2gya s ILE 11 Cb -0.04 -1.33 0.10 0.00 -1.58 0.00 0.00 42.46 39.61 2gya s ILE 11 CO 0.18 -0.26 1.07 0.52 -1.23 0.00 0.00 174.94 175.22 2gya n VAL 12 N 4.92 0.93 -0.05 2.92 0.31 -1.21 -1.79 118.33 124.36 2gya n VAL 12 Ca -0.09 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2gya n VAL 12 Cb 0.45 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 2gya n VAL 12 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2gya n LEU 13 N -3.39 0.00 0.02 7.52 4.77 -1.11 -3.14 117.00 121.67 2gya n LEU 13 Ca 0.12 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.08 2gya n LEU 13 Cb 0.51 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 2gya n LEU 13 CO 0.49 0.00 -0.21 0.35 -1.33 0.00 0.00 177.39 176.68 2gya n THR 14 N 0.00 1.07 -0.62 -5.08 -2.24 -1.26 -4.88 114.28 101.28 2gya n THR 14 Ca 0.00 0.28 -0.27 0.00 -2.27 0.00 0.00 64.05 61.79 2gya n THR 14 Cb 0.00 -1.68 0.16 0.00 -2.10 0.00 0.00 70.33 66.71 2gya n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gya n GLY 15 N 3.09 -2.58 0.01 3.38 0.00 -1.26 -4.68 105.19 103.16 2gya n GLY 15 Ca -0.03 -0.78 0.03 0.00 0.00 0.00 0.00 46.02 45.23 2gya n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2gya n LYS 16 N -1.77 0.01 -0.86 1.61 2.85 -1.26 -0.97 118.16 117.76 2gya n LYS 16 Ca 0.03 0.44 -0.05 0.00 -1.05 0.00 0.00 58.31 57.68 2gya n LYS 16 Cb 0.52 -1.53 0.26 0.00 -0.65 0.00 0.00 35.03 33.64 2gya n LYS 16 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2gya n ASP 17 N -1.55 4.43 -4.64 -5.58 8.00 -1.26 -4.95 116.55 110.99 2gya n ASP 17 Ca 0.01 -3.01 -0.42 0.00 0.71 0.00 0.00 54.79 52.08 2gya n ASP 17 Cb 0.05 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 40.41 2gya n ASP 17 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2gya s LYS 18 N -2.58 3.86 0.00 -1.24 2.20 -0.15 -2.33 119.74 119.51 2gya s LYS 18 Ca 0.46 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 58.35 2gya s LYS 18 Cb 0.37 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 2gya s LYS 18 CO 0.12 -1.25 0.00 0.41 -0.36 0.00 0.00 175.35 174.26 2gya n GLY 19 N 4.78 1.69 3.74 5.54 0.00 -1.19 -4.96 105.19 114.80 2gya n GLY 19 Ca 0.22 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2gya n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gya n LYS 20 N 0.00 2.19 -4.65 1.61 4.76 -0.98 -4.82 118.16 116.27 2gya n LYS 20 Ca 0.00 0.78 -0.30 0.00 -2.87 0.00 0.00 58.31 55.92 2gya n LYS 20 Cb 0.00 -2.56 -0.13 0.00 -1.84 0.00 0.00 35.03 30.50 2gya n LYS 20 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2gya s ARG 21 N -2.35 1.88 -0.12 1.97 0.52 -1.26 -3.29 118.95 116.30 2gya s ARG 21 Ca 0.61 -1.09 -0.34 0.00 -0.52 0.00 0.00 55.73 54.39 2gya s ARG 21 Cb -0.47 -2.09 0.15 0.00 0.52 0.00 0.00 34.95 33.06 2gya s ARG 21 CO 0.58 0.51 1.42 0.20 0.02 0.00 0.00 175.30 178.04 2gya s GLY 22 N -1.55 -0.46 -0.03 -3.53 0.00 -1.15 -4.85 107.32 95.75 2gya s GLY 22 Ca 0.14 1.08 -0.12 0.00 0.00 0.00 0.00 44.72 45.82 2gya s GLY 22 CO 0.05 0.24 0.33 1.25 0.00 0.00 0.00 173.10 174.97 2gya s LYS 23 N -2.05 3.77 0.52 2.90 2.20 -1.25 -0.90 119.74 124.93 2gya s LYS 23 Ca 0.14 0.24 -0.22 0.00 -0.36 0.00 0.00 55.97 55.78 2gya s LYS 23 Cb 0.06 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 33.13 2gya s LYS 23 CO -0.06 0.71 1.31 0.08 -0.36 0.00 0.00 175.35 177.04 2gya s VAL 24 N -1.08 2.32 -0.14 4.02 1.01 -1.22 0.14 120.40 125.45 2gya s VAL 24 Ca 0.22 0.24 0.17 0.00 0.00 0.00 0.00 61.98 62.61 2gya s VAL 24 Cb -0.15 -3.12 -0.25 0.00 0.00 0.00 0.00 36.38 32.85 2gya s VAL 24 CO 0.11 -0.00 0.42 1.17 0.00 0.00 0.00 175.10 176.80 2gya n LYS 25 N -0.88 0.67 0.00 2.72 3.00 0.22 -4.71 118.16 119.18 2gya n LYS 25 Ca 0.09 -0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 2gya n LYS 25 Cb 0.46 -1.39 0.00 0.00 0.00 0.00 0.00 35.03 34.10 2gya n LYS 25 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2gya n ASN 26 N -1.99 0.00 -4.34 3.14 5.15 -1.26 -5.02 115.26 110.94 2gya n ASN 26 Ca -0.02 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.63 2gya n ASN 26 Cb 0.42 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.52 2gya n ASN 26 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2gya s VAL 27 N -2.00 2.84 0.20 3.44 0.11 -1.26 -3.18 120.40 120.54 2gya s VAL 27 Ca 0.00 -0.74 0.03 0.00 -2.93 0.00 0.00 61.98 58.33 2gya s VAL 27 Cb 0.00 -2.17 -0.03 0.00 -1.53 0.00 0.00 36.38 32.65 2gya s VAL 27 CO 0.00 0.54 0.34 -0.76 -3.33 0.00 0.00 175.10 171.88 2gya s LEU 28 N 0.28 4.30 0.54 2.54 2.01 -1.02 -4.99 118.68 122.34 2gya s LEU 28 Ca -0.11 0.18 0.35 0.00 0.01 0.00 0.00 54.13 54.56 2gya s LEU 28 Cb -0.16 -2.95 1.65 0.00 0.01 0.00 0.00 46.19 44.75 2gya s LEU 28 CO 0.06 -0.02 2.06 0.28 1.01 0.00 0.00 176.35 179.74 2gya h SER 29 N 1.72 0.00 0.89 2.29 0.02 -2.00 -2.03 113.55 114.43 2gya h SER 29 Ca -0.50 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.40 2gya h SER 29 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 2gya h SER 29 CO 0.66 0.00 -0.27 0.77 -1.14 0.00 0.00 176.83 176.84 2gya h SER 30 N 0.00 0.00 0.00 3.07 4.64 -2.05 -3.46 113.55 115.75 2gya h SER 30 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gya h SER 30 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2gya h SER 30 CO 0.00 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 2gya n GLY 31 N 0.16 1.14 3.86 -0.77 0.00 -0.76 -5.10 105.19 103.72 2gya n GLY 31 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2gya n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gya s LYS 32 N -0.64 3.62 0.03 1.61 1.02 -1.26 -4.33 119.74 119.80 2gya s LYS 32 Ca 0.00 0.01 0.08 0.00 0.02 0.00 0.00 55.97 56.08 2gya s LYS 32 Cb 0.00 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.07 2gya s LYS 32 CO 0.00 0.72 -0.24 0.14 -0.92 0.00 0.00 175.35 175.04 2gya s VAL 33 N -0.92 1.96 -0.24 3.17 -7.23 -0.83 -2.44 120.40 113.87 2gya s VAL 33 Ca 0.17 -1.27 -0.05 0.00 -1.81 0.00 0.00 61.98 59.02 2gya s VAL 33 Cb -0.13 -1.67 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 2gya s VAL 33 CO 0.06 0.35 -0.00 -0.51 -0.31 0.00 0.00 175.10 174.68 2gya s ILE 34 N -0.76 3.62 -0.17 -0.62 -1.16 -1.19 -2.00 121.20 118.91 2gya s ILE 34 Ca 0.10 -0.47 -0.13 0.00 -0.51 0.00 0.00 60.65 59.64 2gya s ILE 34 Cb -0.09 -2.69 -0.05 0.00 0.61 0.00 0.00 42.46 40.23 2gya s ILE 34 CO 0.01 0.35 0.25 -0.69 -2.81 0.00 0.00 174.94 172.06 2gya s VAL 35 N 1.50 5.33 -0.11 4.00 1.01 -1.26 0.69 120.40 131.57 2gya s VAL 35 Ca 0.05 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 2gya s VAL 35 Cb -0.15 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 2gya s VAL 35 CO -0.01 0.40 2.08 -0.70 0.00 0.00 0.00 175.10 176.87 2gya s GLU 36 N 0.45 3.60 0.00 2.72 2.12 0.36 -1.82 118.70 126.12 2gya s GLU 36 Ca 0.14 2.26 0.00 0.00 0.36 0.00 0.00 54.97 57.73 2gya s GLU 36 Cb -0.12 -4.27 0.00 0.00 0.26 0.00 0.00 34.13 30.00 2gya s GLU 36 CO 0.02 -1.57 0.00 0.41 -0.54 0.00 0.00 175.26 173.58 2gya n GLY 37 N 5.18 3.07 3.55 -1.50 0.00 -1.26 -3.94 105.19 110.29 2gya n GLY 37 Ca 0.25 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 2gya n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gya s ILE 38 N -0.13 3.83 0.30 -0.61 -1.09 -0.76 -4.95 121.20 117.79 2gya s ILE 38 Ca 0.00 -0.03 0.04 0.00 -2.23 0.00 0.00 60.65 58.44 2gya s ILE 38 Cb 0.00 -4.95 -0.02 0.00 -1.58 0.00 0.00 42.46 35.92 2gya s ILE 38 CO 0.00 -1.86 0.15 0.59 -1.23 0.00 0.00 174.94 172.59 2gya n ASN 39 N 9.09 0.57 -4.35 3.58 3.02 -1.26 -4.54 115.26 121.35 2gya n ASN 39 Ca 0.12 -2.70 -0.18 0.00 -0.03 0.00 0.00 54.58 51.80 2gya n ASN 39 Cb 0.49 0.98 -0.10 0.00 -0.61 0.00 0.00 39.78 40.54 2gya n ASN 39 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2gya s LEU 40 N 0.00 2.28 -0.36 3.41 2.96 -0.94 -4.84 118.68 121.19 2gya s LEU 40 Ca 0.21 -1.20 -0.12 0.00 -0.22 0.00 0.00 54.13 52.80 2gya s LEU 40 Cb 0.01 -0.37 0.01 0.00 0.50 0.00 0.00 46.19 46.33 2gya s LEU 40 CO 0.15 -0.46 0.22 -0.69 -1.32 0.00 0.00 176.35 174.25 2gya s VAL 41 N -3.31 4.92 0.76 1.68 1.01 -1.26 -2.54 120.40 121.66 2gya s VAL 41 Ca 0.28 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 2gya s VAL 41 Cb 0.05 -3.62 0.19 0.00 0.00 0.00 0.00 36.38 33.00 2gya s VAL 41 CO 0.09 -0.11 0.68 0.29 0.00 0.00 0.00 175.10 176.05 2gya n LYS 42 N 5.06 -2.33 0.11 2.72 5.02 -1.19 -4.88 118.16 122.66 2gya n LYS 42 Ca -0.12 -1.09 -0.13 0.00 -2.02 0.00 0.00 58.31 54.94 2gya n LYS 42 Cb 0.48 -1.02 -0.08 0.00 -0.02 0.00 0.00 35.03 34.39 2gya n LYS 42 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2gya h LYS 43 N 0.00 -0.23 -1.27 1.97 1.79 -1.98 -2.94 116.57 113.91 2gya h LYS 43 Ca -0.26 0.02 -0.26 0.00 -2.18 0.00 0.00 60.65 57.97 2gya h LYS 43 Cb 0.78 0.05 -0.13 0.00 -1.58 0.00 0.00 32.23 31.35 2gya h LYS 43 CO 0.17 -0.05 0.33 -2.39 -1.08 0.00 0.00 179.45 176.43 2gya n HIS 44 N -5.14 1.38 -3.58 -1.35 1.44 -1.26 -4.88 115.22 101.83 2gya n HIS 44 Ca -0.09 -1.47 -0.26 0.00 -2.01 0.00 0.00 57.72 53.90 2gya n HIS 44 Cb 0.16 -0.73 0.04 0.00 0.12 0.00 0.00 29.99 29.58 2gya n HIS 44 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2gya n GLN 45 N 0.09 -1.33 -4.08 -1.40 6.02 -1.11 -5.00 117.38 110.57 2gya n GLN 45 Ca 0.27 0.65 -0.32 0.00 -0.01 0.00 0.00 57.00 57.59 2gya n GLN 45 Cb 0.80 -4.24 -0.15 0.00 1.02 0.00 0.00 30.24 27.67 2gya n GLN 45 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2gya s LYS 46 N -5.36 2.49 -0.46 -1.09 1.02 -1.26 -4.89 119.74 110.18 2gya s LYS 46 Ca 0.36 -1.15 -0.26 0.00 0.02 0.00 0.00 55.97 54.94 2gya s LYS 46 Cb -0.12 -2.76 -0.28 0.00 -0.52 0.00 0.00 37.83 34.14 2gya s LYS 46 CO 0.84 -0.44 1.72 -2.30 -0.92 0.00 0.00 175.35 174.26 2gya n PRO 47 N 4.51 0.04 -5.22 -1.68 -0.02 -1.26 -3.19 135.00 128.17 2gya n PRO 47 Ca -0.16 -1.20 -0.31 0.00 -2.02 0.00 0.00 63.50 59.81 2gya n PRO 47 Cb 0.45 -2.96 -0.17 0.00 -0.02 0.00 0.00 33.50 30.80 2gya n PRO 47 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2gya s VAL 48 N 10.91 2.02 0.20 -1.45 1.01 -1.05 -4.89 120.40 127.15 2gya s VAL 48 Ca 0.67 -1.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.32 2gya s VAL 48 Cb 0.05 -1.73 -0.10 0.00 0.00 0.00 0.00 36.38 34.60 2gya s VAL 48 CO 0.25 0.56 1.47 -2.16 0.00 0.00 0.00 175.10 175.22 2gya s PRO 49 N 0.10 4.26 -0.08 2.72 0.04 -1.26 -2.22 135.00 138.55 2gya s PRO 49 Ca -0.11 2.28 -0.31 0.00 0.04 0.00 0.00 61.00 62.90 2gya s PRO 49 Cb -0.16 -3.15 0.11 0.00 0.04 0.00 0.00 34.50 31.35 2gya s PRO 49 CO 0.06 -0.48 1.38 0.00 0.04 0.00 0.00 177.00 178.00 2gya s ALA 50 N 0.54 -2.68 0.00 8.56 0.00 -1.23 -1.07 121.76 125.89 2gya s ALA 50 Ca 0.64 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.96 2gya s ALA 50 Cb -0.42 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.46 2gya s ALA 50 CO 0.37 -1.15 0.00 1.28 0.00 0.00 0.00 175.76 176.27 2gya n LEU 51 N -0.84 0.00 -3.54 0.00 4.32 -1.26 -4.47 117.00 111.21 2gya n LEU 51 Ca 0.02 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.92 2gya n LEU 51 Cb 0.60 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.31 2gya n LEU 51 CO 0.13 0.00 -0.02 0.54 -1.22 0.00 0.00 177.39 176.82 2gya s ASN 52 N -1.00 -0.02 0.00 -1.43 4.22 -1.26 -4.97 114.94 110.48 2gya s ASN 52 Ca 0.00 0.67 0.00 0.00 -2.14 0.00 0.00 52.86 51.39 2gya s ASN 52 Cb 0.00 1.21 0.00 0.00 1.28 0.00 0.00 41.25 43.74 2gya s ASN 52 CO 0.00 -0.26 0.00 1.67 -2.04 0.00 0.00 177.10 176.47 2gya n GLN 53 N 5.38 0.00 -1.73 3.55 7.27 -1.26 -5.13 117.38 125.46 2gya n GLN 53 Ca -0.06 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.59 2gya n GLN 53 Cb 0.50 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.12 2gya n GLN 53 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2gya n PRO 54 N -0.77 2.72 -3.84 3.69 -0.04 -1.26 -4.97 135.00 130.54 2gya n PRO 54 Ca 0.00 0.98 -0.06 0.00 -0.04 0.00 0.00 63.50 64.38 2gya n PRO 54 Cb 0.00 -2.79 0.02 0.00 -0.04 0.00 0.00 33.50 30.69 2gya n PRO 54 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2gya s GLY 55 N 0.86 0.21 0.00 0.55 0.00 -1.26 -5.17 107.32 102.51 2gya s GLY 55 Ca 0.70 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.91 2gya s GLY 55 CO 0.40 1.01 0.00 0.61 0.00 0.00 0.00 173.10 175.12 2gya n GLY 56 N -0.61 1.30 3.59 0.20 0.00 -1.26 -5.02 105.19 103.40 2gya n GLY 56 Ca -0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 2gya n GLY 56 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2gya n ILE 57 N 0.00 2.01 -3.79 -0.61 3.06 -1.26 -4.93 119.36 113.84 2gya n ILE 57 Ca 0.00 -0.50 -0.09 0.00 -2.50 0.00 0.00 62.75 59.66 2gya n ILE 57 Cb 0.00 -1.01 -0.06 0.00 0.54 0.00 0.00 39.64 39.11 2gya n ILE 57 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 2gya s VAL 58 N -1.08 0.10 -0.32 9.51 1.01 -1.26 -5.12 120.40 123.25 2gya s VAL 58 Ca 0.59 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 61.30 2gya s VAL 58 Cb -0.69 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.35 2gya s VAL 58 CO 0.60 -0.47 1.05 -1.61 0.00 0.00 0.00 175.10 174.67 2gya s GLU 59 N -3.86 4.06 0.00 2.72 0.41 -1.26 -5.04 118.70 115.73 2gya s GLU 59 Ca 0.06 1.02 0.00 0.00 -0.41 0.00 0.00 54.97 55.64 2gya s GLU 59 Cb 0.03 -3.74 0.00 0.00 -1.78 0.00 0.00 34.13 28.65 2gya s GLU 59 CO -0.10 -0.88 0.00 1.63 -0.49 0.00 0.00 175.26 175.43 2gya n LYS 60 N 6.80 -0.67 -0.82 1.61 5.02 -1.26 -4.80 118.16 124.04 2gya n LYS 60 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2gya n LYS 60 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 2gya n LYS 60 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2gya n GLU 61 N -1.17 -2.35 0.10 1.97 2.13 -0.23 -4.72 120.64 116.37 2gya n GLU 61 Ca 0.00 1.75 0.12 0.00 0.66 0.00 0.00 57.16 59.69 2gya n GLU 61 Cb 0.00 -1.97 0.45 0.00 0.27 0.00 0.00 31.44 30.19 2gya n GLU 61 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gya n ALA 62 N -0.94 2.00 -2.69 4.31 0.00 -1.26 -3.51 120.51 118.42 2gya n ALA 62 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 2gya n ALA 62 Cb 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 2gya n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gya n ALA 63 N -1.74 -3.55 -2.54 0.00 0.00 -1.26 -4.69 120.51 106.73 2gya n ALA 63 Ca 0.04 1.22 -0.32 0.00 0.00 0.00 0.00 53.44 54.38 2gya n ALA 63 Cb 0.33 -2.40 -0.11 0.00 0.00 0.00 0.00 19.45 17.26 2gya n ALA 63 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2gya s ILE 64 N -1.27 3.32 -0.04 0.00 1.01 -0.85 -4.92 121.20 118.45 2gya s ILE 64 Ca -0.11 -0.86 -0.18 0.00 0.00 0.00 0.00 60.65 59.50 2gya s ILE 64 Cb 0.01 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 2gya s ILE 64 CO 0.78 0.43 0.51 -1.10 0.00 0.00 0.00 174.94 175.56 2gya s GLN 65 N -1.27 4.23 0.57 2.79 -0.21 -1.26 -1.97 119.66 122.54 2gya s GLN 65 Ca 0.15 0.56 0.38 0.00 0.02 0.00 0.00 55.36 56.47 2gya s GLN 65 Cb -0.11 -3.34 1.98 0.00 1.00 0.00 0.00 33.01 32.54 2gya s GLN 65 CO 0.05 0.38 2.16 0.28 -2.12 0.00 0.00 175.29 176.04 2gya h VAL 66 N 4.21 0.00 0.00 1.09 2.07 -1.98 -1.87 116.25 119.78 2gya h VAL 66 Ca -0.45 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2gya h VAL 66 Cb 1.20 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2gya h VAL 66 CO 0.70 0.00 0.00 0.77 0.02 0.00 0.00 177.57 179.06 2gya h SER 67 N 0.00 0.00 0.00 0.57 4.64 -1.95 -3.20 113.55 113.61 2gya h SER 67 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gya h SER 67 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2gya h SER 67 CO 0.00 0.00 -0.05 -0.46 -0.87 0.00 0.00 176.83 175.45 2gya n ASN 68 N -3.06 2.23 -5.01 4.97 6.94 -0.71 -5.04 115.26 115.59 2gya n ASN 68 Ca 0.02 -3.11 -0.21 0.00 -0.02 0.00 0.00 54.58 51.26 2gya n ASN 68 Cb 0.37 -0.43 0.05 0.00 -2.36 0.00 0.00 39.78 37.41 2gya n ASN 68 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2gya s VAL 69 N -2.80 2.00 -0.42 3.53 -7.23 -1.20 -2.77 120.40 111.51 2gya s VAL 69 Ca 0.31 -1.11 0.05 0.00 -1.81 0.00 0.00 61.98 59.42 2gya s VAL 69 Cb 0.28 -2.11 0.17 0.00 0.56 0.00 0.00 36.38 35.28 2gya s VAL 69 CO 0.02 0.00 0.46 0.00 -0.31 0.00 0.00 175.10 175.27 2gya s ALA 70 N -2.70 -0.32 0.06 1.32 0.00 -0.74 -4.86 121.76 114.52 2gya s ALA 70 Ca 0.56 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2gya s ALA 70 Cb -0.05 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.98 2gya s ALA 70 CO 0.35 -2.12 0.00 -0.89 0.00 0.00 0.00 175.76 173.10 2gya n ILE 71 N 3.45 0.00 -2.26 0.00 5.41 -1.26 -2.86 119.36 121.84 2gya n ILE 71 Ca 0.19 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.56 2gya n ILE 71 Cb 0.49 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.40 2gya n ILE 71 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 2gya s PHE 72 N 1.60 3.01 -0.50 1.39 5.36 -1.26 -4.92 117.98 122.66 2gya s PHE 72 Ca 0.00 1.53 0.06 0.00 -0.96 0.00 0.00 56.93 57.56 2gya s PHE 72 Cb 0.00 -3.43 0.20 0.00 -0.34 0.00 0.00 43.02 39.46 2gya s PHE 72 CO 0.00 -1.44 0.80 0.09 -1.46 0.00 0.00 175.22 173.21 2gya n ASN 73 N 0.01 -3.20 -4.50 6.13 4.13 -1.26 -5.10 115.26 111.47 2gya n ASN 73 Ca 0.05 -2.88 -0.44 0.00 1.68 0.00 0.00 54.58 52.98 2gya n ASN 73 Cb 0.46 1.70 -0.07 0.00 -1.54 0.00 0.00 39.78 40.34 2gya n ASN 73 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2gya n ALA 74 N 2.60 0.94 0.00 5.41 0.00 -1.26 -4.80 120.51 123.40 2gya n ALA 74 Ca 0.15 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2gya n ALA 74 Cb 0.58 -2.74 0.00 0.00 0.00 0.00 0.00 19.45 17.30 2gya n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gya n ALA 75 N 11.97 0.00 -2.07 0.00 0.00 -1.26 -5.05 120.51 124.09 2gya n ALA 75 Ca 0.43 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.55 2gya n ALA 75 Cb 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 2gya n ALA 75 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gya n THR 76 N -0.29 2.29 -4.77 0.00 -2.24 -1.26 -4.88 114.28 103.13 2gya n THR 76 Ca 0.00 -2.35 -0.33 0.00 -2.27 0.00 0.00 64.05 59.10 2gya n THR 76 Cb 0.00 -2.22 -0.07 0.00 -2.10 0.00 0.00 70.33 65.94 2gya n THR 76 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2gya s GLY 77 N 5.90 3.08 0.04 3.38 0.00 -1.26 -5.04 107.32 113.41 2gya s GLY 77 Ca 0.65 -0.17 0.23 0.00 0.00 0.00 0.00 44.72 45.42 2gya s GLY 77 CO 0.12 -2.19 1.06 1.17 0.00 0.00 0.00 173.10 173.26 2gya n LYS 78 N -1.28 0.24 -0.85 2.90 4.81 -1.26 -4.94 118.16 117.78 2gya n LYS 78 Ca -0.20 -0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 56.93 2gya n LYS 78 Cb 0.67 -1.58 0.16 0.00 0.02 0.00 0.00 35.03 34.30 2gya n LYS 78 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2gya s ALA 79 N -3.16 1.29 0.00 3.14 0.00 -1.26 -5.05 121.76 116.72 2gya s ALA 79 Ca 0.05 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2gya s ALA 79 Cb 0.15 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2gya s ALA 79 CO 0.79 -2.70 0.00 -0.25 0.00 0.00 0.00 175.76 173.60 2gya n ASP 80 N -4.17 0.00 -4.80 0.00 8.00 -1.26 -5.13 116.55 109.19 2gya n ASP 80 Ca 0.09 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.26 2gya n ASP 80 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2gya n ASP 80 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2gya s ARG 81 N 3.40 3.37 -0.03 -1.24 3.52 -1.26 -4.97 118.95 121.74 2gya s ARG 81 Ca 0.00 1.26 -0.07 0.00 -0.13 0.00 0.00 55.73 56.79 2gya s ARG 81 Cb 0.00 -2.04 0.01 0.00 -1.56 0.00 0.00 34.95 31.36 2gya s ARG 81 CO 0.00 -0.77 0.16 0.08 -0.81 0.00 0.00 175.30 173.96 2gya s VAL 82 N -2.34 0.04 0.34 7.11 1.01 -1.26 -5.01 120.40 120.29 2gya s VAL 82 Ca 0.65 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.23 2gya s VAL 82 Cb -0.17 -0.33 -0.06 0.00 0.00 0.00 0.00 36.38 35.82 2gya s VAL 82 CO 0.34 -0.17 0.66 -0.83 0.00 0.00 0.00 175.10 175.10 2gya s GLY 83 N -0.58 1.94 0.04 4.51 0.00 -1.26 -4.96 107.32 107.01 2gya s GLY 83 Ca -0.07 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.30 2gya s GLY 83 CO 0.01 -0.20 0.04 0.69 0.00 0.00 0.00 173.10 173.64 2gya n PHE 84 N -1.02 -0.30 -0.63 1.90 3.72 -1.26 -3.42 117.46 116.45 2gya n PHE 84 Ca 0.01 -0.28 -0.31 0.00 -0.05 0.00 0.00 57.45 56.82 2gya n PHE 84 Cb 0.54 0.04 0.19 0.00 -0.94 0.00 0.00 39.48 39.31 2gya n PHE 84 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2gya n ARG 85 N -0.06 -1.29 0.00 -1.08 0.63 -1.26 -4.94 116.66 108.65 2gya n ARG 85 Ca 0.00 -0.33 0.00 0.00 -0.92 0.00 0.00 57.85 56.60 2gya n ARG 85 Cb 0.06 -2.11 0.00 0.00 0.45 0.00 0.00 32.46 30.87 2gya n ARG 85 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2gya n PHE 86 N -4.41 0.00 0.00 -0.14 -0.00 -1.26 -4.88 117.46 106.77 2gya n PHE 86 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 2gya n PHE 86 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.03 2gya n PHE 86 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2gya n GLU 87 N -1.10 0.00 -0.04 -4.13 -0.58 -1.26 -1.91 120.64 111.62 2gya n GLU 87 Ca 0.00 0.32 -0.15 0.00 -0.42 0.00 0.00 57.16 56.91 2gya n GLU 87 Cb 0.00 -1.63 -0.08 0.00 -0.57 0.00 0.00 31.44 29.16 2gya n GLU 87 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2gya h ASP 88 N 0.00 0.46 0.00 1.62 3.58 -2.00 -3.48 116.42 116.61 2gya h ASP 88 Ca 0.00 -0.60 0.00 0.00 0.42 0.00 0.00 57.03 56.85 2gya h ASP 88 Cb 0.25 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.17 2gya h ASP 88 CO 0.00 0.98 0.00 0.61 -2.88 0.00 0.00 179.24 177.95 2gya n GLY 89 N 0.55 2.18 0.27 -0.78 0.00 -0.80 -4.59 105.19 102.02 2gya n GLY 89 Ca -0.07 -0.38 0.02 0.00 0.00 0.00 0.00 46.02 45.59 2gya n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gya h LYS 90 N 0.00 0.43 0.00 1.61 1.79 -1.92 -0.40 116.57 118.08 2gya h LYS 90 Ca 0.00 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 2gya h LYS 90 Cb 0.00 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.57 2gya h LYS 90 CO 0.00 0.43 -0.09 -0.22 -1.08 0.00 0.00 179.45 178.48 2gya h LYS 91 N 0.42 0.00 -0.24 3.15 3.64 -1.91 -2.73 116.57 118.91 2gya h LYS 91 Ca 0.10 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.31 2gya h LYS 91 Cb 0.22 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2gya h LYS 91 CO 0.00 0.09 -0.52 0.28 -2.27 0.00 0.00 179.45 177.04 2gya h VAL 92 N 0.00 1.30 -0.39 2.00 2.07 -1.37 -0.80 116.25 119.07 2gya h VAL 92 Ca -0.00 -1.73 -0.04 0.00 0.82 0.00 0.00 66.70 65.75 2gya h VAL 92 Cb 0.64 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2gya h VAL 92 CO 0.01 0.55 0.11 -0.09 0.02 0.00 0.00 177.57 178.17 2gya h ARG 93 N 0.52 0.62 -0.64 1.57 2.43 -1.32 0.52 114.38 118.08 2gya h ARG 93 Ca 0.02 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 2gya h ARG 93 Cb 1.08 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 2gya h ARG 93 CO 0.10 0.64 0.17 0.74 -1.51 0.00 0.00 179.97 180.11 2gya h PHE 94 N 0.49 1.06 -0.19 2.20 0.04 -1.45 -1.75 116.94 117.33 2gya h PHE 94 Ca 0.12 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 2gya h PHE 94 Cb 0.29 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 2gya h PHE 94 CO 0.01 0.88 -0.10 0.35 -0.60 0.00 0.00 178.31 178.85 2gya h PHE 95 N 0.94 0.30 0.00 -0.55 3.04 -0.87 -1.73 116.94 118.07 2gya h PHE 95 Ca 0.20 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.09 2gya h PHE 95 Cb 0.34 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.76 2gya h PHE 95 CO 0.02 0.39 -0.14 -0.22 -2.02 0.00 0.00 178.31 176.35 2gya h LYS 96 N 0.28 0.00 -5.98 1.11 1.63 -0.23 -3.43 116.57 109.94 2gya h LYS 96 Ca 0.06 0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 59.29 2gya h LYS 96 Cb 0.35 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.92 2gya h LYS 96 CO 0.02 0.14 0.23 -1.54 -3.45 0.00 0.00 179.45 174.85 2gya s SER 97 N -6.09 6.97 0.00 4.20 1.04 -0.66 -4.92 113.70 114.24 2gya s SER 97 Ca 0.03 1.17 0.02 0.00 0.48 0.00 0.00 55.95 57.66 2gya s SER 97 Cb 0.08 -2.43 0.13 0.00 0.10 0.00 0.00 66.02 63.90 2gya s SER 97 CO 0.63 -0.26 0.76 0.59 0.98 0.00 0.00 173.24 175.95 2gya n ASN 98 N 4.52 0.00 -0.09 7.02 3.02 -1.26 -2.60 115.26 125.87 2gya n ASN 98 Ca 0.02 0.10 -0.14 0.00 -0.03 0.00 0.00 54.58 54.52 2gya n ASN 98 Cb 0.50 -0.15 -0.07 0.00 -0.61 0.00 0.00 39.78 39.45 2gya n ASN 98 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2gya n SER 99 N -1.15 2.22 -5.00 6.41 3.41 -1.26 -4.93 113.62 113.32 2gya n SER 99 Ca 0.01 0.01 -0.21 0.00 -0.26 0.00 0.00 58.87 58.43 2gya n SER 99 Cb 0.01 -0.36 0.04 0.00 -0.26 0.00 0.00 64.21 63.64 2gya n SER 99 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2gya s GLU 100 N -2.34 2.36 0.00 4.33 0.41 -1.07 -4.98 118.70 117.42 2gya s GLU 100 Ca -0.24 -1.68 0.00 0.00 -0.41 0.00 0.00 54.97 52.65 2gya s GLU 100 Cb 0.07 -2.53 0.00 0.00 -1.78 0.00 0.00 34.13 29.89 2gya s GLU 100 CO 0.37 -0.71 0.00 2.41 -0.49 0.00 0.00 175.26 176.84