#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gya h ILE 2 N 0.00 0.00 0.00 2.02 6.09 -1.94 -3.46 117.51 120.22 2gya h ILE 2 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2gya h ILE 2 Cb 0.00 0.89 0.00 0.00 0.47 0.00 0.00 36.82 38.18 2gya h ILE 2 CO 0.00 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.69 2gya n GLY 3 N -1.13 0.23 3.76 8.18 0.00 -1.26 -4.11 105.19 110.87 2gya n GLY 3 Ca -0.03 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 2gya n GLY 3 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gya s LEU 4 N 0.00 2.32 -0.03 0.99 2.96 -1.12 -4.53 118.68 119.27 2gya s LEU 4 Ca 0.00 -1.64 -0.07 0.00 -0.22 0.00 0.00 54.13 52.20 2gya s LEU 4 Cb 0.00 -0.74 0.01 0.00 0.50 0.00 0.00 46.19 45.96 2gya s LEU 4 CO 0.00 -0.84 0.16 -0.69 -1.32 0.00 0.00 176.35 173.66 2gya s VAL 5 N -2.87 0.05 0.29 1.68 1.01 -1.26 0.12 120.40 119.42 2gya s VAL 5 Ca 0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 2gya s VAL 5 Cb 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 2gya s VAL 5 CO 0.04 -0.20 0.38 -0.83 0.00 0.00 0.00 175.10 174.48 2gya s GLY 6 N -0.71 1.40 -0.16 4.51 0.00 -0.78 -4.56 107.32 107.01 2gya s GLY 6 Ca -0.08 -1.50 -0.05 0.00 0.00 0.00 0.00 44.72 43.09 2gya s GLY 6 CO 0.01 -1.06 0.00 0.54 0.00 0.00 0.00 173.10 172.59 2gya s LYS 7 N -3.52 3.74 0.12 2.90 -0.14 0.35 -2.12 119.74 121.08 2gya s LYS 7 Ca 0.32 -0.44 -0.31 0.00 -1.36 0.00 0.00 55.97 54.18 2gya s LYS 7 Cb 0.01 -3.02 -0.10 0.00 -1.68 0.00 0.00 37.83 33.04 2gya s LYS 7 CO 0.17 0.29 1.80 0.21 -0.76 0.00 0.00 175.35 177.06 2gya s LYS 8 N 0.26 4.15 -0.25 1.68 2.20 -1.06 -0.03 119.74 126.69 2gya s LYS 8 Ca -0.00 2.56 -0.08 0.00 -0.36 0.00 0.00 55.97 58.08 2gya s LYS 8 Cb -0.13 -3.56 -0.16 0.00 -1.51 0.00 0.00 37.83 32.46 2gya s LYS 8 CO 0.02 -0.82 -0.18 0.28 -0.36 0.00 0.00 175.35 174.29 2gya n VAL 9 N 4.69 1.54 -3.56 4.02 0.31 -0.16 0.93 118.33 126.10 2gya n VAL 9 Ca 0.17 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2gya n VAL 9 Cb 0.38 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 2gya n VAL 9 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2gya n GLY 10 N 1.72 -0.83 3.09 2.92 0.00 -1.12 -4.84 105.19 106.14 2gya n GLY 10 Ca -0.47 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 2gya n GLY 10 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gya s MET 11 N -1.11 2.35 0.00 1.61 1.75 -1.26 -0.90 119.30 121.74 2gya s MET 11 Ca 0.00 -0.62 0.00 0.00 -1.25 0.00 0.00 55.69 53.82 2gya s MET 11 Cb 0.00 -1.92 0.00 0.00 2.84 0.00 0.00 34.83 35.75 2gya s MET 11 CO 0.00 0.01 0.00 0.25 -0.65 0.00 0.00 175.02 174.63 2gya n THR 12 N 3.98 0.00 0.00 10.11 -2.24 0.46 -4.93 114.28 121.66 2gya n THR 12 Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2gya n THR 12 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 2gya n THR 12 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2gya n ARG 13 N 0.00 0.00 -3.66 -0.78 0.00 -1.24 -0.76 116.66 110.22 2gya n ARG 13 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.67 2gya n ARG 13 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.30 2gya n ARG 13 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2gya s ILE 14 N -2.00 -0.23 -0.52 5.15 -1.09 -1.25 -4.84 121.20 116.42 2gya s ILE 14 Ca 0.00 0.32 -0.28 0.00 -2.23 0.00 0.00 60.65 58.46 2gya s ILE 14 Cb 0.00 -0.30 0.03 0.00 -1.58 0.00 0.00 42.46 40.61 2gya s ILE 14 CO 0.00 0.12 1.12 0.12 -1.23 0.00 0.00 174.94 175.06 2gya s PHE 15 N 2.27 2.75 -0.08 3.97 5.36 -1.26 -4.33 117.98 126.65 2gya s PHE 15 Ca 0.04 0.50 -0.04 0.00 -0.96 0.00 0.00 56.93 56.46 2gya s PHE 15 Cb -0.12 -4.38 -0.04 0.00 -0.34 0.00 0.00 43.02 38.14 2gya s PHE 15 CO -0.06 -1.38 0.10 -0.08 -1.46 0.00 0.00 175.22 172.35 2gya s THR 16 N 4.51 5.10 0.10 0.12 -1.32 -1.26 -5.00 115.64 117.89 2gya s THR 16 Ca 0.43 -0.02 -0.26 0.00 -1.21 0.00 0.00 61.69 60.62 2gya s THR 16 Cb -0.08 -3.24 -0.09 0.00 -1.51 0.00 0.00 72.50 67.58 2gya s THR 16 CO 0.28 0.55 1.43 -0.33 -2.21 0.00 0.00 174.62 174.34 2gya h GLU 17 N 4.79 -0.35 -7.24 7.08 5.08 -1.96 -3.38 114.58 118.60 2gya h GLU 17 Ca -0.53 0.02 -0.51 0.00 -1.00 0.00 0.00 59.36 57.35 2gya h GLU 17 Cb 1.21 0.08 0.10 0.00 0.50 0.00 0.00 28.75 30.64 2gya h GLU 17 CO 0.59 -0.23 0.36 -0.51 -1.00 0.00 0.00 179.01 178.22 2gya s ASP 18 N -4.50 5.12 1.30 1.42 1.01 -1.26 -4.63 116.67 115.13 2gya s ASP 18 Ca -0.12 1.89 0.00 0.00 0.71 0.00 0.00 52.55 55.04 2gya s ASP 18 Cb 0.06 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.46 2gya s ASP 18 CO 0.48 -1.62 0.00 0.61 0.21 0.00 0.00 175.17 174.85 2gya n GLY 19 N -0.89 2.71 3.61 0.21 0.00 -1.26 -4.89 105.19 104.68 2gya n GLY 19 Ca 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 2gya n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gya s VAL 20 N 0.00 0.00 0.20 1.61 0.11 -1.26 -5.07 120.40 116.00 2gya s VAL 20 Ca 0.00 -0.03 -0.32 0.00 -2.93 0.00 0.00 61.98 58.70 2gya s VAL 20 Cb 0.00 -1.19 -0.14 0.00 -1.53 0.00 0.00 36.38 33.52 2gya s VAL 20 CO 0.00 0.00 1.44 -1.54 -3.33 0.00 0.00 175.10 171.67 2gya n SER 21 N -0.14 2.71 -3.64 3.54 3.41 -1.26 -4.63 113.62 113.61 2gya n SER 21 Ca 0.00 1.12 -0.10 0.00 -0.26 0.00 0.00 58.87 59.64 2gya n SER 21 Cb 0.58 -1.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.06 2gya n SER 21 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2gya s ILE 22 N 0.26 -0.00 0.48 -1.33 1.10 -1.26 -5.06 121.20 115.38 2gya s ILE 22 Ca 0.73 0.01 -0.22 0.00 -0.51 0.00 0.00 60.65 60.65 2gya s ILE 22 Cb -0.69 -0.95 -0.09 0.00 0.15 0.00 0.00 42.46 40.88 2gya s ILE 22 CO 0.46 0.00 0.95 -2.65 -2.11 0.00 0.00 174.94 171.60 2gya n PRO 23 N 3.69 1.16 -4.31 3.50 -0.02 -1.26 -3.75 135.00 134.01 2gya n PRO 23 Ca -0.18 0.43 -0.20 0.00 -2.02 0.00 0.00 63.50 61.53 2gya n PRO 23 Cb 0.57 -2.05 -0.16 0.00 -0.02 0.00 0.00 33.50 31.85 2gya n PRO 23 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2gya s VAL 24 N -1.38 0.69 -0.31 -1.45 1.01 0.06 -1.16 120.40 117.84 2gya s VAL 24 Ca 0.67 -0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.19 2gya s VAL 24 Cb -0.51 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 2gya s VAL 24 CO 0.54 0.23 0.53 -0.89 0.00 0.00 0.00 175.10 175.52 2gya s THR 25 N 0.45 5.02 0.00 3.92 2.01 0.22 0.18 115.64 127.43 2gya s THR 25 Ca -0.07 0.60 -0.30 0.00 0.31 0.00 0.00 61.69 62.23 2gya s THR 25 Cb -0.11 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2gya s THR 25 CO 0.01 -0.11 1.14 -0.69 -0.69 0.00 0.00 174.62 174.28 2gya s VAL 26 N 2.41 4.33 -0.09 3.82 1.01 -0.08 -2.26 120.40 129.54 2gya s VAL 26 Ca 0.21 1.67 0.01 0.00 0.00 0.00 0.00 61.98 63.86 2gya s VAL 26 Cb -0.15 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.18 2gya s VAL 26 CO 0.12 0.08 -0.09 -0.63 0.00 0.00 0.00 175.10 174.58 2gya s ILE 27 N 1.43 1.01 -0.46 2.22 -1.09 -0.10 -0.98 121.20 123.23 2gya s ILE 27 Ca 0.56 -0.33 -0.28 0.00 -2.23 0.00 0.00 60.65 58.36 2gya s ILE 27 Cb -0.25 -0.99 0.00 0.00 -1.58 0.00 0.00 42.46 39.64 2gya s ILE 27 CO 0.26 0.35 1.51 -1.61 -1.23 0.00 0.00 174.94 174.22 2gya s GLU 28 N 1.27 3.38 -0.47 2.79 2.02 0.96 0.51 118.70 129.16 2gya s GLU 28 Ca -0.03 0.83 0.02 0.00 0.02 0.00 0.00 54.97 55.81 2gya s GLU 28 Cb -0.14 -4.11 0.12 0.00 0.10 0.00 0.00 34.13 30.10 2gya s GLU 28 CO -0.03 -1.82 0.22 0.14 0.02 0.00 0.00 175.26 173.79 2gya s VAL 29 N 6.14 2.74 0.00 2.63 -7.23 -0.61 -0.49 120.40 123.58 2gya s VAL 29 Ca 0.62 -2.84 0.00 0.00 -1.81 0.00 0.00 61.98 57.95 2gya s VAL 29 Cb -0.14 -2.91 0.00 0.00 0.56 0.00 0.00 36.38 33.89 2gya s VAL 29 CO 0.30 -0.74 0.00 -0.62 -0.31 0.00 0.00 175.10 173.73 2gya n GLU 30 N 3.67 3.50 -2.98 4.82 1.02 -1.23 -4.26 120.64 125.19 2gya n GLU 30 Ca 0.04 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.78 2gya n GLU 30 Cb 0.37 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.74 2gya n GLU 30 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gya s ALA 31 N -2.63 3.33 0.30 0.62 0.00 -1.26 -3.77 121.76 118.35 2gya s ALA 31 Ca 0.00 0.25 0.09 0.00 0.00 0.00 0.00 51.96 52.30 2gya s ALA 31 Cb 0.00 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 2gya s ALA 31 CO 0.00 -0.03 0.05 -0.80 0.00 0.00 0.00 175.76 174.98 2gya s ASN 32 N 0.39 4.54 -0.40 0.00 0.02 -0.90 -4.80 114.94 113.80 2gya s ASN 32 Ca 0.40 -0.75 0.07 0.00 -1.02 0.00 0.00 52.86 51.56 2gya s ASN 32 Cb -0.19 -0.76 0.24 0.00 0.02 0.00 0.00 41.25 40.56 2gya s ASN 32 CO 0.22 -0.15 0.49 0.54 0.02 0.00 0.00 177.10 178.22 2gya n ARG 33 N -1.00 0.64 -2.03 -0.60 1.74 -0.91 -2.41 116.66 112.09 2gya n ARG 33 Ca -0.05 -3.22 -0.42 0.00 -0.77 0.00 0.00 57.85 53.39 2gya n ARG 33 Cb 0.60 -1.29 -0.03 0.00 -1.02 0.00 0.00 32.46 30.72 2gya n ARG 33 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2gya s VAL 34 N -0.99 3.49 0.04 1.55 1.01 -0.36 -3.03 120.40 122.12 2gya s VAL 34 Ca 0.35 0.47 -0.00 0.00 0.00 0.00 0.00 61.98 62.79 2gya s VAL 34 Cb 0.15 -3.74 -0.26 0.00 0.00 0.00 0.00 36.38 32.53 2gya s VAL 34 CO -0.12 -0.53 1.01 0.00 0.00 0.00 0.00 175.10 175.46 2gya h THR 35 N 6.80 1.35 -3.88 3.92 1.03 -1.71 -3.35 112.91 117.07 2gya h THR 35 Ca -0.32 -3.00 -0.10 0.00 -0.01 0.00 0.00 66.41 62.98 2gya h THR 35 Cb 1.16 2.80 -0.11 0.00 -1.07 0.00 0.00 68.15 70.94 2gya h THR 35 CO 1.07 0.84 -0.26 -1.10 -0.01 0.00 0.00 175.52 176.06 2gya s GLN 36 N -2.65 1.37 -0.08 0.00 -0.21 -1.14 -3.60 119.66 113.36 2gya s GLN 36 Ca -0.05 -1.29 -0.00 0.00 0.02 0.00 0.00 55.36 54.04 2gya s GLN 36 Cb 0.08 0.41 0.02 0.00 1.00 0.00 0.00 33.01 34.52 2gya s GLN 36 CO 0.85 -0.53 -0.04 0.14 -2.12 0.00 0.00 175.29 173.59 2gya s VAL 37 N -4.03 0.63 -0.18 1.09 -7.23 -0.93 -0.54 120.40 109.22 2gya s VAL 37 Ca 0.24 -0.08 -0.16 0.00 -1.81 0.00 0.00 61.98 60.17 2gya s VAL 37 Cb 0.02 -0.71 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 2gya s VAL 37 CO 0.07 0.29 0.41 -0.75 -0.31 0.00 0.00 175.10 174.81 2gya s LYS 38 N 1.60 4.23 -0.12 4.82 2.20 0.37 -2.01 119.74 130.84 2gya s LYS 38 Ca 0.01 0.26 -0.02 0.00 -0.36 0.00 0.00 55.97 55.85 2gya s LYS 38 Cb -0.13 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 2gya s LYS 38 CO -0.04 0.04 -0.03 0.34 -0.36 0.00 0.00 175.35 175.29 2gya s ASP 39 N 0.87 4.92 0.10 1.43 2.15 -1.02 -2.34 116.67 122.78 2gya s ASP 39 Ca 0.21 -0.02 0.05 0.00 0.43 0.00 0.00 52.55 53.22 2gya s ASP 39 Cb -0.15 -1.56 -0.04 0.00 -0.30 0.00 0.00 42.92 40.88 2gya s ASP 39 CO 0.08 0.27 0.02 -0.76 -0.17 0.00 0.00 175.17 174.62 2gya s LEU 40 N -0.27 3.54 0.14 -1.34 2.01 -1.25 0.47 118.68 121.98 2gya s LEU 40 Ca 0.05 -0.16 0.09 0.00 0.01 0.00 0.00 54.13 54.13 2gya s LEU 40 Cb -0.13 -2.25 -0.04 0.00 0.01 0.00 0.00 46.19 43.78 2gya s LEU 40 CO 0.02 0.16 -0.18 0.00 1.01 0.00 0.00 176.35 177.37 2gya s ALA 41 N -1.38 2.69 -1.13 4.21 0.00 0.20 0.71 121.76 127.06 2gya s ALA 41 Ca 0.27 -1.43 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 2gya s ALA 41 Cb -0.12 -0.60 0.27 0.00 0.00 0.00 0.00 23.12 22.67 2gya s ALA 41 CO 0.19 0.54 1.35 0.09 0.00 0.00 0.00 175.76 177.94 2gya n ASN 42 N 0.57 5.75 -4.56 0.00 4.13 0.49 -2.72 115.26 118.93 2gya n ASN 42 Ca -0.14 -3.16 -0.40 0.00 1.68 0.00 0.00 54.58 52.55 2gya n ASN 42 Cb 0.54 -1.38 -0.03 0.00 -1.54 0.00 0.00 39.78 37.37 2gya n ASN 42 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2gya s ASP 43 N 0.43 5.72 0.22 6.41 1.11 -1.25 -4.49 116.67 124.82 2gya s ASP 43 Ca 0.33 0.10 0.00 0.00 0.18 0.00 0.00 52.55 53.16 2gya s ASP 43 Cb -0.02 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.42 2gya s ASP 43 CO 0.00 -2.07 0.00 0.61 1.18 0.00 0.00 175.17 174.89 2gya n GLY 44 N 5.51 1.12 2.70 0.21 0.00 -1.26 -2.24 105.19 111.24 2gya n GLY 44 Ca 0.13 0.34 -0.07 0.00 0.00 0.00 0.00 46.02 46.42 2gya n GLY 44 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2gya n TYR 45 N 0.00 -2.31 -3.55 1.61 4.02 -1.26 -5.08 117.16 110.59 2gya n TYR 45 Ca 0.00 -2.00 -0.24 0.00 -0.01 0.00 0.00 57.90 55.66 2gya n TYR 45 Cb 0.00 1.50 -0.15 0.00 -0.02 0.00 0.00 39.34 40.67 2gya n TYR 45 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2gya s ARG 46 N 0.02 0.14 0.30 -0.72 3.52 -0.95 -5.13 118.95 116.13 2gya s ARG 46 Ca 0.22 -0.08 -0.28 0.00 -0.13 0.00 0.00 55.73 55.46 2gya s ARG 46 Cb 0.39 -1.43 -0.14 0.00 -1.56 0.00 0.00 34.95 32.21 2gya s ARG 46 CO -0.08 -0.76 1.10 0.00 -0.81 0.00 0.00 175.30 174.75 2gya n ALA 47 N 5.29 0.22 -3.64 6.12 0.00 -1.26 -3.84 120.51 123.40 2gya n ALA 47 Ca -0.06 0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.66 2gya n ALA 47 Cb 0.48 -2.09 -0.10 0.00 0.00 0.00 0.00 19.45 17.74 2gya n ALA 47 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2gya s ILE 48 N -1.03 -0.02 -0.31 0.00 -1.16 -1.10 -4.95 121.20 112.64 2gya s ILE 48 Ca 0.58 0.07 -0.29 0.00 -0.51 0.00 0.00 60.65 60.50 2gya s ILE 48 Cb -0.67 -0.68 -0.01 0.00 0.61 0.00 0.00 42.46 41.72 2gya s ILE 48 CO 0.60 0.03 1.51 0.00 -2.81 0.00 0.00 174.94 174.27 2gya s GLN 49 N 1.29 3.70 0.00 3.50 -2.07 -1.26 0.63 119.66 125.44 2gya s GLN 49 Ca -0.08 1.33 0.00 0.00 -1.82 0.00 0.00 55.36 54.79 2gya s GLN 49 Cb -0.07 -4.02 0.00 0.00 -1.09 0.00 0.00 33.01 27.83 2gya s GLN 49 CO -0.12 -1.41 0.77 0.28 -1.32 0.00 0.00 175.29 173.50 2gya n VAL 50 N 6.69 0.00 -4.11 3.63 0.31 0.18 -4.92 118.33 120.10 2gya n VAL 50 Ca 0.18 1.27 -0.16 0.00 -0.01 0.00 0.00 64.34 65.62 2gya n VAL 50 Cb 0.46 -2.25 -0.04 0.00 -0.91 0.00 0.00 33.84 31.11 2gya n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2gya s THR 51 N -2.45 0.00 -0.04 2.52 -4.23 -1.25 -5.04 115.64 105.14 2gya s THR 51 Ca 0.00 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 2gya s THR 51 Cb 0.00 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.20 2gya s THR 51 CO 0.00 0.00 -0.05 0.28 -0.54 0.00 0.00 174.62 174.31 2gya s THR 52 N -2.97 0.57 -0.23 3.99 -1.32 -1.26 -2.43 115.64 111.98 2gya s THR 52 Ca 0.32 -0.14 -0.17 0.00 -1.21 0.00 0.00 61.69 60.48 2gya s THR 52 Cb -0.00 -0.59 -0.03 0.00 -1.51 0.00 0.00 72.50 70.36 2gya s THR 52 CO 0.22 0.23 0.45 -0.83 -2.21 0.00 0.00 174.62 172.48 2gya s GLY 53 N 0.89 1.99 0.00 6.08 0.00 -0.85 -4.86 107.32 110.57 2gya s GLY 53 Ca -0.11 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.04 2gya s GLY 53 CO 0.00 1.01 0.00 0.00 0.00 0.00 0.00 173.10 174.11 2gya n ALA 54 N 4.95 0.00 -0.05 3.20 0.00 -1.26 -2.19 120.51 125.16 2gya n ALA 54 Ca -0.06 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.57 2gya n ALA 54 Cb 0.51 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.61 2gya n ALA 54 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2gya h LYS 55 N 0.00 0.09 -1.73 0.00 1.79 -1.89 -3.37 116.57 111.46 2gya h LYS 55 Ca 0.00 -0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 2gya h LYS 55 Cb 0.00 -0.02 -0.29 0.00 -1.58 0.00 0.00 32.23 30.34 2gya h LYS 55 CO 0.00 0.06 -0.52 0.21 -1.08 0.00 0.00 179.45 178.12 2gya s LYS 56 N -5.10 0.40 -0.36 3.15 2.20 -1.26 -4.86 119.74 113.91 2gya s LYS 56 Ca -0.06 0.24 0.07 0.00 -0.36 0.00 0.00 55.97 55.86 2gya s LYS 56 Cb 0.20 -0.33 0.19 0.00 -1.51 0.00 0.00 37.83 36.38 2gya s LYS 56 CO 0.74 -0.94 0.61 0.00 -0.36 0.00 0.00 175.35 175.40 2gya s ALA 57 N 2.55 -2.35 -0.75 3.13 0.00 -1.26 -4.99 121.76 118.09 2gya s ALA 57 Ca 0.11 0.52 0.26 0.00 0.00 0.00 0.00 51.96 52.85 2gya s ALA 57 Cb -0.13 -2.65 0.88 0.00 0.00 0.00 0.00 23.12 21.22 2gya s ALA 57 CO -0.27 -2.07 1.79 0.09 0.00 0.00 0.00 175.76 175.31 2gya n ASN 58 N 4.80 0.69 0.18 0.00 4.13 -1.26 -3.07 115.26 120.73 2gya n ASN 58 Ca 0.09 0.57 0.14 0.00 1.68 0.00 0.00 54.58 57.05 2gya n ASN 58 Cb 0.56 -0.75 0.44 0.00 -1.54 0.00 0.00 39.78 38.48 2gya n ASN 58 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 2gya h ARG 59 N 0.00 0.00 0.00 3.52 9.65 -1.99 -2.90 114.38 122.66 2gya h ARG 59 Ca 0.00 0.00 -0.27 0.00 -1.10 0.00 0.00 59.98 58.61 2gya h ARG 59 Cb 0.67 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.20 2gya h ARG 59 CO 0.00 0.00 -2.03 1.33 2.80 0.00 0.00 179.97 182.07 2gya n VAL 60 N -2.65 1.04 0.15 0.20 0.24 -1.19 -4.30 118.33 111.82 2gya n VAL 60 Ca 0.03 -0.55 0.01 0.00 -2.04 0.00 0.00 64.34 61.79 2gya n VAL 60 Cb 0.37 -0.80 0.30 0.00 -1.47 0.00 0.00 33.84 32.24 2gya n VAL 60 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2gya h THR 61 N 0.00 1.30 0.15 3.34 1.03 -1.60 -1.89 112.91 115.24 2gya h THR 61 Ca -0.41 -1.43 -0.01 0.00 -0.01 0.00 0.00 66.41 64.55 2gya h THR 61 Cb 1.82 1.73 0.00 0.00 -1.07 0.00 0.00 68.15 70.63 2gya h THR 61 CO -0.01 0.42 -0.07 0.50 -0.01 0.00 0.00 175.52 176.35 2gya h LYS 62 N 0.06 -0.19 -0.67 0.00 3.64 -1.73 -1.46 116.57 116.22 2gya h LYS 62 Ca 0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2gya h LYS 62 Cb 0.75 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 2gya h LYS 62 CO 0.06 0.04 0.36 -1.35 -2.27 0.00 0.00 179.45 176.28 2gya h PRO 63 N -0.40 0.93 -0.34 1.90 0.11 -1.72 -1.55 132.00 130.93 2gya h PRO 63 Ca -0.02 -0.10 0.06 0.00 0.11 0.00 0.00 66.00 66.05 2gya h PRO 63 Cb 0.32 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 31.19 2gya h PRO 63 CO 0.03 0.69 0.02 1.49 -0.21 0.00 0.00 178.00 180.02 2gya h GLU 64 N 0.94 0.11 -7.43 1.05 4.81 -1.14 -3.19 114.58 109.72 2gya h GLU 64 Ca 0.24 -0.01 -0.47 0.00 -0.13 0.00 0.00 59.36 58.99 2gya h GLU 64 Cb 0.04 -0.03 0.13 0.00 0.63 0.00 0.00 28.75 29.52 2gya h GLU 64 CO -0.04 0.07 0.29 0.00 -0.73 0.00 0.00 179.01 178.61 2gya s ALA 65 N -6.18 1.81 0.00 2.92 0.00 -0.57 -2.66 121.76 117.08 2gya s ALA 65 Ca -0.13 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2gya s ALA 65 Cb 0.13 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2gya s ALA 65 CO 0.70 -2.17 0.00 0.41 0.00 0.00 0.00 175.76 174.70 2gya n GLY 66 N -1.91 1.42 0.31 0.00 0.00 -1.26 -4.30 105.19 99.46 2gya n GLY 66 Ca 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.08 2gya n GLY 66 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2gya h HIS 67 N 0.00 0.66 -0.24 1.61 -0.00 -1.57 0.97 115.15 116.57 2gya h HIS 67 Ca 0.00 -0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.21 2gya h HIS 67 Cb 0.00 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 2gya h HIS 67 CO 0.00 0.47 -0.48 0.35 -0.00 0.00 0.00 177.93 178.27 2gya h PHE 68 N 0.68 0.80 -0.05 2.45 3.04 -1.69 -0.24 116.94 121.93 2gya h PHE 68 Ca 0.17 -0.26 -0.07 0.00 3.98 0.00 0.00 57.97 61.79 2gya h PHE 68 Cb 0.04 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.38 2gya h PHE 68 CO 0.00 1.01 -0.29 0.00 -2.02 0.00 0.00 178.31 177.01 2gya h ALA 69 N 0.95 1.42 -0.00 2.41 0.00 -1.02 0.11 119.26 123.13 2gya h ALA 69 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2gya h ALA 69 Cb 1.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2gya h ALA 69 CO 0.10 0.42 -0.04 1.63 0.00 0.00 0.00 179.25 181.36 2gya n LYS 70 N -4.17 0.19 -1.58 0.00 4.76 0.31 -4.89 118.16 112.79 2gya n LYS 70 Ca -0.02 -0.02 -0.18 0.00 -2.87 0.00 0.00 58.31 55.23 2gya n LYS 70 Cb 0.36 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.98 2gya n LYS 70 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2gya n ALA 71 N -1.39 -0.29 0.95 7.82 0.00 0.40 -4.85 120.51 123.15 2gya n ALA 71 Ca 0.10 0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.93 2gya n ALA 71 Cb 0.30 -1.83 0.16 0.00 0.00 0.00 0.00 19.45 18.09 2gya n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gya n GLY 72 N -0.83 -1.21 3.75 0.00 0.00 -0.24 -4.92 105.19 101.74 2gya n GLY 72 Ca -0.18 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 2gya n GLY 72 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gya s VAL 73 N -3.02 3.03 0.00 1.61 -7.23 -1.20 -0.38 120.40 113.21 2gya s VAL 73 Ca 0.10 0.90 0.00 0.00 -1.81 0.00 0.00 61.98 61.17 2gya s VAL 73 Cb 0.17 -3.58 0.00 0.00 0.56 0.00 0.00 36.38 33.53 2gya s VAL 73 CO 0.74 0.16 0.00 1.21 -0.31 0.00 0.00 175.10 176.90 2gya n GLU 74 N 2.02 1.49 -1.55 4.82 2.13 0.22 -4.82 120.64 124.95 2gya n GLU 74 Ca 0.04 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.47 2gya n GLU 74 Cb 0.42 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.17 2gya n GLU 74 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gya n ALA 75 N -3.00 -0.41 -3.86 4.31 0.00 -1.26 -4.56 120.51 111.73 2gya n ALA 75 Ca 0.00 0.04 -0.33 0.00 0.00 0.00 0.00 53.44 53.15 2gya n ALA 75 Cb 0.00 -1.98 -0.16 0.00 0.00 0.00 0.00 19.45 17.31 2gya n ALA 75 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2gya s GLY 76 N -1.12 1.44 0.02 0.00 0.00 -1.26 -3.79 107.32 102.60 2gya s GLY 76 Ca 0.70 -1.17 0.05 0.00 0.00 0.00 0.00 44.72 44.31 2gya s GLY 76 CO 0.52 0.23 -0.16 0.50 0.00 0.00 0.00 173.10 174.20 2gya s ARG 77 N 1.20 1.14 -0.02 2.90 0.52 -0.99 -4.99 118.95 118.72 2gya s ARG 77 Ca 0.02 -0.70 0.04 0.00 -0.52 0.00 0.00 55.73 54.58 2gya s ARG 77 Cb -0.14 -1.15 -0.01 0.00 0.52 0.00 0.00 34.95 34.17 2gya s ARG 77 CO -0.08 0.30 -0.14 0.20 0.02 0.00 0.00 175.30 175.60 2gya s GLY 78 N -0.80 0.73 -0.44 -3.53 0.00 -1.26 0.14 107.32 102.15 2gya s GLY 78 Ca 0.04 -0.59 -0.42 0.00 0.00 0.00 0.00 44.72 43.76 2gya s GLY 78 CO 0.01 -0.41 2.08 1.04 0.00 0.00 0.00 173.10 175.82 2gya n LEU 79 N 2.92 1.28 -4.35 0.66 7.99 0.30 -4.77 117.00 121.02 2gya n LEU 79 Ca -0.16 0.68 -0.20 0.00 -0.01 0.00 0.00 56.01 56.32 2gya n LEU 79 Cb 0.54 -1.01 -0.11 0.00 -0.11 0.00 0.00 43.42 42.74 2gya n LEU 79 CO 0.25 -0.74 -0.46 -1.66 -1.51 0.00 0.00 177.39 173.26 2gya s TRP 80 N 5.92 1.79 -0.61 -1.77 -2.14 -1.26 -1.93 118.94 118.93 2gya s TRP 80 Ca 1.14 -0.51 -0.02 0.00 2.66 0.00 0.00 56.10 59.37 2gya s TRP 80 Cb -1.30 -0.85 0.16 0.00 -3.10 0.00 0.00 33.47 28.38 2gya s TRP 80 CO 0.63 0.37 0.42 -1.21 -2.66 0.00 0.00 176.95 174.49 2gya s GLU 81 N -3.25 2.49 0.00 3.25 0.41 -1.17 -4.75 118.70 115.69 2gya s GLU 81 Ca 0.20 -2.52 0.00 0.00 -0.41 0.00 0.00 54.97 52.24 2gya s GLU 81 Cb -0.03 -3.69 0.00 0.00 -1.78 0.00 0.00 34.13 28.63 2gya s GLU 81 CO 0.07 -1.16 0.00 1.19 -0.49 0.00 0.00 175.26 174.87 2gya n PHE 82 N 3.48 0.00 -3.94 1.61 3.01 -1.26 -2.14 117.46 118.22 2gya n PHE 82 Ca 0.07 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.44 2gya n PHE 82 Cb 0.37 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.78 2gya n PHE 82 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2gya s ARG 83 N 0.00 1.23 0.99 -1.08 0.52 -1.26 -5.09 118.95 114.25 2gya s ARG 83 Ca 0.00 -1.16 -0.17 0.00 -0.52 0.00 0.00 55.73 53.89 2gya s ARG 83 Cb 0.00 0.40 0.25 0.00 0.52 0.00 0.00 34.95 36.12 2gya s ARG 83 CO 0.00 -0.46 0.82 1.47 0.02 0.00 0.00 175.30 177.15 2gya n LEU 84 N -0.25 0.00 0.00 2.53 -0.00 -1.26 -4.63 117.00 113.39 2gya n LEU 84 Ca -0.07 -0.87 0.00 0.00 -0.00 0.00 0.00 56.01 55.07 2gya n LEU 84 Cb 0.63 -0.78 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 2gya n LEU 84 CO 0.23 -2.01 0.00 0.00 -0.00 0.00 0.00 177.39 175.62 2gya n ALA 85 N -4.57 0.00 -2.00 1.47 0.00 -1.26 -4.66 120.51 109.49 2gya n ALA 85 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2gya n ALA 85 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2gya n ALA 85 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2gya n GLU 86 N -0.45 0.00 0.00 0.00 4.07 -1.26 -4.61 120.64 118.39 2gya n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2gya n GLU 86 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2gya n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2gya n GLY 87 N 3.97 -0.09 0.20 8.31 0.00 -1.26 -1.91 105.19 114.41 2gya n GLY 87 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2gya n GLY 87 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2gya h GLU 88 N 0.00 0.00 -0.11 1.61 4.81 -1.97 -3.21 114.58 115.71 2gya h GLU 88 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2gya h GLU 88 Cb 0.01 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 2gya h GLU 88 CO 0.00 0.33 0.03 1.05 -0.73 0.00 0.00 179.01 179.69 2gya h GLU 89 N 0.00 0.18 -0.96 1.92 4.11 -1.61 -1.74 114.58 116.49 2gya h GLU 89 Ca -0.00 -0.04 0.19 0.00 0.07 0.00 0.00 59.36 59.57 2gya h GLU 89 Cb 0.73 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.85 2gya h GLU 89 CO 0.04 0.34 0.54 0.74 0.07 0.00 0.00 179.01 180.75 2gya h PHE 90 N -0.01 0.95 0.00 2.06 0.04 -1.79 -3.17 116.94 115.02 2gya h PHE 90 Ca 0.04 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.84 2gya h PHE 90 Cb 0.24 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.12 2gya h PHE 90 CO 0.00 0.17 0.00 0.25 -0.60 0.00 0.00 178.31 178.14 2gya n THR 91 N -4.83 0.00 -0.38 -1.55 -2.24 -1.18 -4.88 114.28 99.21 2gya n THR 91 Ca 0.22 0.87 0.00 0.00 -2.27 0.00 0.00 64.05 62.87 2gya n THR 91 Cb 0.57 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 2gya n THR 91 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2gya n VAL 92 N -0.49 0.00 0.00 2.28 0.24 -1.20 -5.01 118.33 114.15 2gya n VAL 92 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2gya n VAL 92 Cb 0.00 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 2gya n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gya n GLY 93 N 0.00 3.15 3.66 7.63 0.00 -0.66 -4.83 105.19 114.13 2gya n GLY 93 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2gya n GLY 93 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2gya s GLN 94 N -0.38 4.24 0.20 1.61 2.00 -1.25 -1.22 119.66 124.85 2gya s GLN 94 Ca 0.00 1.06 -0.20 0.00 -2.00 0.00 0.00 55.36 54.22 2gya s GLN 94 Cb 0.00 -3.62 0.04 0.00 0.80 0.00 0.00 33.01 30.23 2gya s GLN 94 CO 0.00 -0.48 0.59 0.45 -0.50 0.00 0.00 175.29 175.35 2gya s SER 95 N 1.25 -0.35 0.24 6.67 0.15 -1.01 -5.01 113.70 115.64 2gya s SER 95 Ca 0.38 -0.37 0.10 0.00 0.70 0.00 0.00 55.95 56.76 2gya s SER 95 Cb -0.16 0.62 -0.05 0.00 -1.71 0.00 0.00 66.02 64.72 2gya s SER 95 CO 0.09 -1.10 -0.18 -0.63 1.20 0.00 0.00 173.24 172.63 2gya s ILE 96 N -3.85 2.14 0.49 6.45 -1.09 -1.26 -2.11 121.20 121.97 2gya s ILE 96 Ca 0.07 -2.30 0.15 0.00 -2.23 0.00 0.00 60.65 56.35 2gya s ILE 96 Cb -0.02 -2.17 0.24 0.00 -1.58 0.00 0.00 42.46 38.93 2gya s ILE 96 CO -0.04 -0.47 2.09 0.77 -1.23 0.00 0.00 174.94 176.06 2gya h SER 97 N 2.45 0.00 -0.08 3.58 4.64 -1.78 -1.59 113.55 120.78 2gya h SER 97 Ca -0.39 -0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.95 2gya h SER 97 Cb 1.24 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2gya h SER 97 CO 0.60 0.07 0.07 -0.37 -0.87 0.00 0.00 176.83 176.34 2gya h VAL 98 N 0.01 0.72 -0.27 0.95 -1.51 -1.89 0.60 116.25 114.87 2gya h VAL 98 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.30 2gya h VAL 98 Cb 0.12 0.94 -0.00 0.00 -2.13 0.00 0.00 31.29 30.23 2gya h VAL 98 CO 0.01 0.00 -0.52 -0.33 -1.23 0.00 0.00 177.57 175.50 2gya h GLU 99 N 0.00 0.77 0.06 5.19 5.08 -1.70 -3.34 114.58 120.64 2gya h GLU 99 Ca 0.04 -0.47 -0.35 0.00 -1.00 0.00 0.00 59.36 57.58 2gya h GLU 99 Cb 0.19 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2gya h GLU 99 CO -0.00 1.10 -1.98 -0.11 -1.00 0.00 0.00 179.01 177.02 2gya n LEU 100 N -4.00 2.46 -4.26 1.33 7.94 -0.76 -5.09 117.00 114.61 2gya n LEU 100 Ca -0.04 0.20 -0.29 0.00 -1.11 0.00 0.00 56.01 54.78 2gya n LEU 100 Cb 0.60 -1.02 -0.16 0.00 0.53 0.00 0.00 43.42 43.38 2gya n LEU 100 CO 0.49 0.71 -0.55 -0.36 -1.11 0.00 0.00 177.39 176.58 2gya s PHE 101 N -2.50 2.09 0.28 1.96 0.08 0.20 -5.11 117.98 114.98 2gya s PHE 101 Ca -0.28 -0.40 0.10 0.00 0.12 0.00 0.00 56.93 56.48 2gya s PHE 101 Cb 0.08 -1.34 -0.05 0.00 -0.57 0.00 0.00 43.02 41.14 2gya s PHE 101 CO 0.67 -0.04 -0.07 0.00 -0.10 0.00 0.00 175.22 175.68 2gya s ALA 102 N -0.54 3.02 0.94 5.36 0.00 -1.26 -3.46 121.76 125.82 2gya s ALA 102 Ca 0.09 -1.78 -0.11 0.00 0.00 0.00 0.00 51.96 50.15 2gya s ALA 102 Cb -0.09 -0.52 0.16 0.00 0.00 0.00 0.00 23.12 22.66 2gya s ALA 102 CO -0.01 0.24 1.09 0.16 0.00 0.00 0.00 175.76 177.24 2gya s ASP 103 N -3.62 2.96 0.00 0.00 -4.77 -1.26 -3.12 116.67 106.86 2gya s ASP 103 Ca 0.31 1.60 0.00 0.00 -3.30 0.00 0.00 52.55 51.17 2gya s ASP 103 Cb -0.05 -2.26 0.00 0.00 -1.09 0.00 0.00 42.92 39.52 2gya s ASP 103 CO 0.18 -2.98 0.00 0.52 0.70 0.00 0.00 175.17 173.59 2gya n VAL 104 N -4.12 0.00 -3.44 2.11 0.31 0.36 -4.95 118.33 108.61 2gya n VAL 104 Ca 0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.03 2gya n VAL 104 Cb 0.55 -0.44 -0.06 0.00 -0.91 0.00 0.00 33.84 32.98 2gya n VAL 104 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2gya s LYS 105 N -0.88 3.96 0.18 5.55 2.47 -1.18 -4.69 119.74 125.14 2gya s LYS 105 Ca 0.00 0.45 -0.27 0.00 -1.56 0.00 0.00 55.97 54.59 2gya s LYS 105 Cb 0.00 -3.12 -0.08 0.00 -1.46 0.00 0.00 37.83 33.17 2gya s LYS 105 CO 0.00 0.61 0.85 0.15 0.16 0.00 0.00 175.35 177.12 2gya s LYS 106 N -1.44 4.68 -0.01 4.03 3.01 -1.26 -1.28 119.74 127.47 2gya s LYS 106 Ca 0.30 1.30 -0.08 0.00 -1.01 0.00 0.00 55.97 56.48 2gya s LYS 106 Cb -0.16 -3.29 0.00 0.00 -1.01 0.00 0.00 37.83 33.38 2gya s LYS 106 CO 0.17 0.50 0.15 0.14 0.51 0.00 0.00 175.35 176.82 2gya s VAL 107 N -0.98 0.07 -0.35 3.17 -7.23 -0.94 -2.13 120.40 112.01 2gya s VAL 107 Ca 0.39 -0.59 -0.13 0.00 -1.81 0.00 0.00 61.98 59.84 2gya s VAL 107 Cb -0.24 -0.42 -0.01 0.00 0.56 0.00 0.00 36.38 36.26 2gya s VAL 107 CO 0.28 -0.32 0.24 -1.81 -0.31 0.00 0.00 175.10 173.19 2gya s ASP 108 N -1.19 6.06 -0.27 4.85 1.01 0.44 -1.47 116.67 126.10 2gya s ASP 108 Ca -0.13 -0.46 -0.06 0.00 0.71 0.00 0.00 52.55 52.61 2gya s ASP 108 Cb -0.07 -2.14 -0.00 0.00 1.01 0.00 0.00 42.92 41.72 2gya s ASP 108 CO 0.02 -0.25 0.05 -0.69 0.21 0.00 0.00 175.17 174.50 2gya s VAL 109 N 1.72 3.90 0.23 -1.27 1.01 -1.03 -2.12 120.40 122.85 2gya s VAL 109 Ca 0.06 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.59 2gya s VAL 109 Cb -0.18 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2gya s VAL 109 CO 0.10 0.21 0.02 0.28 0.00 0.00 0.00 175.10 175.72 2gya s THR 110 N 1.52 3.65 0.00 3.92 -1.32 -1.18 -2.46 115.64 119.77 2gya s THR 110 Ca 0.04 -1.69 0.00 0.00 -1.21 0.00 0.00 61.69 58.83 2gya s THR 110 Cb -0.16 -2.91 0.00 0.00 -1.51 0.00 0.00 72.50 67.92 2gya s THR 110 CO 0.01 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.75 2gya n GLY 111 N -0.67 0.50 3.60 6.08 0.00 -0.23 -2.82 105.19 111.65 2gya n GLY 111 Ca -0.08 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 2gya n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gya s THR 112 N -2.00 4.61 0.53 2.61 -4.23 -1.26 -1.28 115.64 114.62 2gya s THR 112 Ca 0.00 1.13 -0.22 0.00 -1.18 0.00 0.00 61.69 61.42 2gya s THR 112 Cb 0.00 -4.31 -0.06 0.00 1.34 0.00 0.00 72.50 69.47 2gya s THR 112 CO 0.00 -0.52 1.30 -1.20 -0.54 0.00 0.00 174.62 173.66 2gya n SER 113 N 6.70 2.45 -4.80 3.99 7.64 -0.31 -3.77 113.62 125.52 2gya n SER 113 Ca 0.06 0.99 -0.34 0.00 1.01 0.00 0.00 58.87 60.59 2gya n SER 113 Cb 0.48 -1.54 -0.03 0.00 -1.01 0.00 0.00 64.21 62.11 2gya n SER 113 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2gya s LYS 114 N -2.72 3.76 0.09 1.43 -2.85 -1.26 -3.85 119.74 114.35 2gya s LYS 114 Ca 0.70 1.33 -0.32 0.00 -1.00 0.00 0.00 55.97 56.68 2gya s LYS 114 Cb -0.44 -2.09 -0.11 0.00 -2.06 0.00 0.00 37.83 33.13 2gya s LYS 114 CO 0.51 -0.46 1.82 0.41 0.10 0.00 0.00 175.35 177.73 2gya n GLY 115 N -0.37 1.59 0.00 0.59 0.00 -1.26 -4.82 105.19 100.92 2gya n GLY 115 Ca 0.09 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.85 2gya n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gya n LYS 116 N 5.61 -0.23 0.00 1.61 5.02 -1.24 -4.87 118.16 124.05 2gya n LYS 116 Ca 0.19 -0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 2gya n LYS 116 Cb 0.35 -0.81 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 2gya n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gya n GLY 117 N -0.05 0.32 3.75 0.72 0.00 -1.26 -4.73 105.19 103.94 2gya n GLY 117 Ca 0.00 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 2gya n GLY 117 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gya s PHE 118 N 0.00 3.95 0.27 1.61 0.08 -1.26 -3.89 117.98 118.74 2gya s PHE 118 Ca 0.00 1.84 0.06 0.00 0.12 0.00 0.00 56.93 58.95 2gya s PHE 118 Cb 0.00 -2.95 -0.06 0.00 -0.57 0.00 0.00 43.02 39.44 2gya s PHE 118 CO 0.00 0.43 -0.04 0.00 -0.10 0.00 0.00 175.22 175.51 2gya s ALA 119 N -0.99 2.20 0.41 5.36 0.00 -1.17 -5.01 121.76 122.56 2gya s ALA 119 Ca 0.41 -1.87 -0.23 0.00 0.00 0.00 0.00 51.96 50.27 2gya s ALA 119 Cb -0.25 0.29 -0.10 0.00 0.00 0.00 0.00 23.12 23.06 2gya s ALA 119 CO 0.30 -0.13 1.00 0.20 0.00 0.00 0.00 175.76 177.14 2gya s GLY 120 N -3.41 2.62 0.21 0.00 0.00 -1.26 -4.09 107.32 101.39 2gya s GLY 120 Ca 0.29 0.57 0.01 0.00 0.00 0.00 0.00 44.72 45.59 2gya s GLY 120 CO 0.11 0.95 1.08 -1.30 0.00 0.00 0.00 173.10 173.94 2gya n THR 121 N -0.26 -0.29 0.12 0.90 -2.24 -1.26 0.37 114.28 111.62 2gya n THR 121 Ca 0.06 1.53 -0.05 0.00 -2.27 0.00 0.00 64.05 63.32 2gya n THR 121 Cb 0.51 -2.22 -0.02 0.00 -2.10 0.00 0.00 70.33 66.50 2gya n THR 121 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2gya h VAL 122 N 0.00 0.00 -0.51 2.28 2.07 -1.78 -2.99 116.25 115.32 2gya h VAL 122 Ca 0.41 -0.19 0.15 0.00 0.82 0.00 0.00 66.70 67.89 2gya h VAL 122 Cb 0.83 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2gya h VAL 122 CO -0.66 0.00 0.62 0.50 0.02 0.00 0.00 177.57 178.05 2gya h LYS 123 N -0.52 0.00 0.00 1.57 3.64 -1.58 -3.15 116.57 116.53 2gya h LYS 123 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2gya h LYS 123 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2gya h LYS 123 CO 0.06 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.78 2gya n ARG 124 N -3.50 0.35 -0.44 1.90 1.74 0.16 -4.57 116.66 112.30 2gya n ARG 124 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2gya n ARG 124 Cb 0.81 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.25 2gya n ARG 124 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2gya n TRP 125 N -1.22 0.00 -0.06 -1.55 7.02 -1.25 -3.52 117.44 116.86 2gya n TRP 125 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2gya n TRP 125 Cb 0.00 -0.19 0.00 0.00 -2.42 0.00 0.00 31.31 28.70 2gya n TRP 125 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2gya n ASN 126 N 1.66 0.00 -4.46 -0.99 3.02 -1.23 -4.84 115.26 108.42 2gya n ASN 126 Ca 0.00 0.00 -0.53 0.00 -0.03 0.00 0.00 54.58 54.02 2gya n ASN 126 Cb 0.14 -0.27 -0.05 0.00 -0.61 0.00 0.00 39.78 38.99 2gya n ASN 126 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2gya n PHE 127 N -0.06 0.17 0.00 3.10 7.35 -1.19 -4.93 117.46 121.90 2gya n PHE 127 Ca 0.00 0.98 0.00 0.00 -0.76 0.00 0.00 57.45 57.67 2gya n PHE 127 Cb 0.00 -2.05 0.00 0.00 0.35 0.00 0.00 39.48 37.78 2gya n PHE 127 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2gya n ARG 128 N 1.28 2.19 -3.76 -4.13 1.74 -1.26 -4.39 116.66 108.33 2gya n ARG 128 Ca 0.19 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.17 2gya n ARG 128 Cb 0.18 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.58 2gya n ARG 128 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2gya s THR 129 N 0.00 0.03 -0.86 0.55 -1.32 -1.26 -4.64 115.64 108.14 2gya s THR 129 Ca 0.00 -0.83 -0.25 0.00 -1.21 0.00 0.00 61.69 59.40 2gya s THR 129 Cb 0.00 -1.60 -0.10 0.00 -1.51 0.00 0.00 72.50 69.29 2gya s THR 129 CO 0.00 -0.14 2.20 -1.10 -2.21 0.00 0.00 174.62 173.37 2gya s GLN 130 N -3.88 2.00 0.98 7.08 1.11 -0.94 -4.94 119.66 121.07 2gya s GLN 130 Ca 0.10 0.10 -0.15 0.00 0.01 0.00 0.00 55.36 55.42 2gya s GLN 130 Cb -0.01 -4.92 0.18 0.00 -1.01 0.00 0.00 33.01 27.26 2gya s GLN 130 CO -0.03 -4.04 1.21 0.34 0.01 0.00 0.00 175.29 172.78 2gya s ASP 131 N 9.54 2.95 0.39 5.90 -1.08 -1.26 -1.83 116.67 131.29 2gya s ASP 131 Ca 0.82 0.60 0.00 0.00 -0.52 0.00 0.00 52.55 53.46 2gya s ASP 131 Cb -0.10 -0.90 0.00 0.00 -1.46 0.00 0.00 42.92 40.47 2gya s ASP 131 CO 0.05 -2.86 0.00 0.00 0.52 0.00 0.00 175.17 172.87 2gya n ALA 132 N -3.91 0.00 0.38 3.66 0.00 -1.26 -2.97 120.51 116.40 2gya n ALA 132 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.67 2gya n ALA 132 Cb 0.60 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.52 2gya n ALA 132 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gya n THR 133 N 0.00 0.88 -0.22 0.00 -2.24 -1.26 -2.05 114.28 109.39 2gya n THR 133 Ca 0.00 0.28 0.16 0.00 -2.27 0.00 0.00 64.05 62.22 2gya n THR 133 Cb 0.00 -1.20 0.48 0.00 -2.10 0.00 0.00 70.33 67.51 2gya n THR 133 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2gya h HIS 134 N 0.00 0.58 0.01 4.78 3.86 -1.76 0.62 115.15 123.24 2gya h HIS 134 Ca 0.00 0.02 -0.21 0.00 -1.16 0.00 0.00 60.37 59.01 2gya h HIS 134 Cb 0.32 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.60 2gya h HIS 134 CO 0.00 0.19 -0.92 0.78 0.86 0.00 0.00 177.93 178.84 2gya h GLY 135 N 0.47 0.34 1.92 2.45 0.00 -0.76 -3.03 103.07 104.45 2gya h GLY 135 Ca 0.43 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 2gya h GLY 135 CO -0.16 0.54 -0.11 3.43 0.00 0.00 0.00 176.54 180.24 2gya h ASN 136 N 0.17 0.09 0.00 0.19 2.35 -0.01 0.23 115.58 118.60 2gya h ASN 136 Ca -0.06 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2gya h ASN 136 Cb 1.56 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.90 2gya h ASN 136 CO 0.15 0.22 0.00 -1.54 -1.65 0.00 0.00 177.43 174.61 2gya n SER 137 N -4.35 2.42 -0.34 5.81 3.41 0.52 -4.78 113.62 116.30 2gya n SER 137 Ca -0.02 -1.93 -0.01 0.00 -0.26 0.00 0.00 58.87 56.65 2gya n SER 137 Cb 0.22 -0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 63.68 2gya n SER 137 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2gya n LEU 138 N 0.39 0.02 -4.20 1.04 4.77 0.07 -4.77 117.00 114.33 2gya n LEU 138 Ca 0.00 0.02 -0.44 0.00 -0.03 0.00 0.00 56.01 55.56 2gya n LEU 138 Cb 0.42 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2gya n LEU 138 CO 0.00 -0.10 1.33 -0.24 -1.33 0.00 0.00 177.39 177.04 2gya n SER 139 N 2.01 5.51 0.00 -1.43 2.88 -1.20 -4.86 113.62 116.53 2gya n SER 139 Ca -0.01 -3.11 0.00 0.00 -1.33 0.00 0.00 58.87 54.42 2gya n SER 139 Cb 0.06 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.08 2gya n SER 139 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2gya n HIS 140 N 3.60 0.00 -2.69 0.66 8.25 -1.26 -4.39 115.22 119.39 2gya n HIS 140 Ca 0.32 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.36 2gya n HIS 140 Cb 0.38 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.47 2gya n HIS 140 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2gya n ARG 141 N -0.59 4.50 -3.73 -0.41 1.74 -1.26 -2.22 116.66 114.70 2gya n ARG 141 Ca 0.00 -4.25 -0.13 0.00 -0.77 0.00 0.00 57.85 52.70 2gya n ARG 141 Cb 0.00 -2.60 -0.14 0.00 -1.02 0.00 0.00 32.46 28.70 2gya n ARG 141 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2gya s VAL 142 N -2.27 -0.05 0.63 1.55 1.01 -1.26 -4.44 120.40 115.57 2gya s VAL 142 Ca 0.37 0.16 0.36 0.00 0.00 0.00 0.00 61.98 62.86 2gya s VAL 142 Cb 0.10 -0.34 0.39 0.00 0.00 0.00 0.00 36.38 36.53 2gya s VAL 142 CO 0.02 0.07 2.25 1.55 0.00 0.00 0.00 175.10 178.99 2gya h PRO 143 N 7.25 0.00 0.00 2.72 0.13 -1.96 -3.45 132.00 136.69 2gya h PRO 143 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2gya h PRO 143 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2gya h PRO 143 CO 0.38 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.56 2gya n GLY 144 N -1.23 2.13 2.72 1.56 0.00 -1.26 -4.87 105.19 104.24 2gya n GLY 144 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 2gya n GLY 144 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gya s SER 145 N -2.36 1.83 0.51 1.61 0.15 -1.26 -4.99 113.70 109.19 2gya s SER 145 Ca 0.00 -0.62 0.21 0.00 0.70 0.00 0.00 55.95 56.24 2gya s SER 145 Cb 0.00 0.34 1.34 0.00 -1.71 0.00 0.00 66.02 65.99 2gya s SER 145 CO 0.00 -0.37 2.09 -0.29 1.20 0.00 0.00 173.24 175.87 2gya h ILE 146 N 6.30 0.83 0.00 6.45 6.09 -1.98 -3.46 117.51 131.74 2gya h ILE 146 Ca -0.16 -0.38 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 2gya h ILE 146 Cb 1.10 1.22 0.00 0.00 0.47 0.00 0.00 36.82 39.60 2gya h ILE 146 CO 0.33 0.10 0.00 0.61 -3.07 0.00 0.00 178.15 176.12 2gya n GLY 147 N -1.07 1.61 3.60 8.18 0.00 -1.26 -4.65 105.19 111.60 2gya n GLY 147 Ca -0.02 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 2gya n GLY 147 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2gya s GLN 148 N -2.00 -0.73 0.00 1.61 0.00 -1.26 -4.58 119.66 112.69 2gya s GLN 148 Ca 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 55.36 55.58 2gya s GLN 148 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 33.01 31.38 2gya s GLN 148 CO 0.00 -3.44 0.00 0.27 0.00 0.00 0.00 175.29 172.12 2gya n ASN 149 N -4.62 -5.60 -0.40 12.60 0.23 -1.26 -4.64 115.26 111.57 2gya n ASN 149 Ca 0.09 0.39 0.38 0.00 -0.53 0.00 0.00 54.58 54.91 2gya n ASN 149 Cb 0.58 -1.31 0.64 0.00 -2.08 0.00 0.00 39.78 37.61 2gya n ASN 149 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 2gya h GLN 150 N 3.33 0.00 -4.92 -3.83 4.20 -1.96 -3.17 115.11 108.76 2gya h GLN 150 Ca 0.00 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.04 2gya h GLN 150 Cb 0.74 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 28.15 2gya h GLN 150 CO 0.00 0.00 -0.82 -0.08 -0.67 0.00 0.00 178.83 177.26 2gya s THR 151 N -4.66 2.09 0.52 -0.54 -1.32 -1.26 -0.63 115.64 109.84 2gya s THR 151 Ca -0.04 -1.33 -0.23 0.00 -1.21 0.00 0.00 61.69 58.88 2gya s THR 151 Cb 0.20 -2.08 -0.06 0.00 -1.51 0.00 0.00 72.50 69.05 2gya s THR 151 CO 0.67 0.20 1.39 -0.81 -2.21 0.00 0.00 174.62 173.87 2gya n PRO 152 N 4.52 1.87 0.00 7.08 -0.04 -1.20 -5.03 135.00 142.21 2gya n PRO 152 Ca -0.17 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 2gya n PRO 152 Cb 0.45 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 2gya n PRO 152 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gya n GLY 153 N 0.69 1.53 3.89 0.55 0.00 0.20 -4.79 105.19 107.25 2gya n GLY 153 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2gya n GLY 153 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gya s LYS 154 N -0.85 3.65 -0.29 1.61 2.20 -1.26 -5.09 119.74 119.72 2gya s LYS 154 Ca 0.00 -0.02 -0.08 0.00 -0.36 0.00 0.00 55.97 55.51 2gya s LYS 154 Cb 0.00 -2.86 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 2gya s LYS 154 CO 0.00 0.47 0.11 0.54 -0.36 0.00 0.00 175.35 176.12 2gya s VAL 155 N -1.63 4.38 -0.05 4.02 0.11 -1.26 -4.81 120.40 121.16 2gya s VAL 155 Ca 0.40 -0.42 -0.38 0.00 -2.93 0.00 0.00 61.98 58.65 2gya s VAL 155 Cb -0.12 -3.19 -0.16 0.00 -1.53 0.00 0.00 36.38 31.38 2gya s VAL 155 CO 0.23 0.14 1.54 0.49 -3.33 0.00 0.00 175.10 174.17 2gya n PHE 156 N 4.94 1.83 -0.43 1.54 3.01 -1.26 -4.75 117.46 122.34 2gya n PHE 156 Ca -0.15 0.53 0.36 0.00 1.01 0.00 0.00 57.45 59.20 2gya n PHE 156 Cb 0.49 -2.42 0.64 0.00 -0.01 0.00 0.00 39.48 38.18 2gya n PHE 156 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2gya h LYS 157 N 5.96 0.08 0.33 -1.08 6.56 -1.99 0.26 116.57 126.69 2gya h LYS 157 Ca -0.47 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.10 2gya h LYS 157 Cb 1.32 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 2gya h LYS 157 CO 0.86 0.05 -0.16 0.78 -2.06 0.00 0.00 179.45 178.93 2gya h GLY 158 N 0.08 -0.46 -4.56 3.86 0.00 -2.02 -3.40 103.07 96.57 2gya h GLY 158 Ca 0.83 0.17 -0.13 0.00 0.00 0.00 0.00 47.33 48.19 2gya h GLY 158 CO -0.47 -0.17 1.04 1.17 0.00 0.00 0.00 176.54 178.11 2gya n LYS 159 N -3.19 0.00 -1.54 4.80 3.00 0.93 -4.70 118.16 117.46 2gya n LYS 159 Ca -0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.82 2gya n LYS 159 Cb 0.17 -0.65 -0.00 0.00 0.00 0.00 0.00 35.03 34.55 2gya n LYS 159 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2gya n LYS 160 N 3.30 1.04 0.00 1.64 5.02 -1.26 -4.81 118.16 123.10 2gya n LYS 160 Ca 0.25 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 2gya n LYS 160 Cb 0.19 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 2gya n LYS 160 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gya n MET 161 N 0.57 0.62 -3.59 1.97 0.00 -1.26 -5.08 117.12 110.35 2gya n MET 161 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.61 2gya n MET 161 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.56 2gya n MET 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2gya s ALA 162 N -2.00 4.12 0.00 3.17 0.00 -1.26 -4.60 121.76 121.19 2gya s ALA 162 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.47 2gya s ALA 162 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2gya s ALA 162 CO 0.00 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.17 2gya n GLY 163 N -1.56 -0.75 3.74 0.00 0.00 -1.26 -5.03 105.19 100.33 2gya n GLY 163 Ca -0.01 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 2gya n GLY 163 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2gya s GLN 164 N -0.10 2.69 0.23 1.61 2.00 -1.26 -3.07 119.66 121.76 2gya s GLN 164 Ca 0.00 -0.90 -0.20 0.00 -2.00 0.00 0.00 55.36 52.26 2gya s GLN 164 Cb 0.00 -2.56 0.07 0.00 0.80 0.00 0.00 33.01 31.32 2gya s GLN 164 CO 0.00 0.50 0.97 -0.12 -0.50 0.00 0.00 175.29 176.14 2gya n MET 165 N 0.00 0.76 -0.21 1.67 0.00 -1.25 -5.05 117.12 113.04 2gya n MET 165 Ca -0.09 -1.64 0.03 0.00 -0.00 0.00 0.00 57.70 55.99 2gya n MET 165 Cb 0.54 2.17 -0.01 0.00 0.00 0.00 0.00 33.22 35.92 2gya n MET 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2gya n GLY 166 N -0.68 -1.64 2.68 -5.12 0.00 -1.26 -3.71 105.19 95.46 2gya n GLY 166 Ca -0.04 -1.47 -0.02 0.00 0.00 0.00 0.00 46.02 44.50 2gya n GLY 166 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2gya n ASN 167 N -2.00 -5.09 -4.51 1.61 2.85 -1.26 -4.59 115.26 102.27 2gya n ASN 167 Ca -0.00 0.05 -0.34 0.00 -0.11 0.00 0.00 54.58 54.17 2gya n ASN 167 Cb 0.10 -2.75 -0.12 0.00 1.24 0.00 0.00 39.78 38.25 2gya n ASN 167 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2gya s GLU 168 N -1.65 3.71 0.15 1.20 2.12 -1.25 -4.90 118.70 118.08 2gya s GLU 168 Ca 0.00 -0.49 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 2gya s GLU 168 Cb 0.00 -3.02 -0.07 0.00 0.26 0.00 0.00 34.13 31.29 2gya s GLU 168 CO 0.00 0.18 1.20 0.50 -0.54 0.00 0.00 175.26 176.60 2gya s ARG 169 N 0.56 4.47 -0.04 4.30 3.52 -1.26 -1.16 118.95 129.33 2gya s ARG 169 Ca -0.01 1.85 -0.02 0.00 -0.13 0.00 0.00 55.73 57.42 2gya s ARG 169 Cb -0.14 -3.27 0.03 0.00 -1.56 0.00 0.00 34.95 30.01 2gya s ARG 169 CO 0.02 -0.14 0.09 0.08 -0.81 0.00 0.00 175.30 174.54 2gya s VAL 170 N 0.31 -0.05 -0.65 7.11 1.01 -0.40 -4.95 120.40 122.78 2gya s VAL 170 Ca 0.55 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.70 2gya s VAL 170 Cb -0.32 -0.16 0.17 0.00 0.00 0.00 0.00 36.38 36.07 2gya s VAL 170 CO 0.34 0.08 0.46 0.28 0.00 0.00 0.00 175.10 176.26 2gya s THR 171 N 1.06 3.65 0.09 3.92 -1.32 -1.26 -1.06 115.64 120.71 2gya s THR 171 Ca -0.08 -3.15 -0.31 0.00 -1.21 0.00 0.00 61.69 56.94 2gya s THR 171 Cb -0.11 -3.38 -0.07 0.00 -1.51 0.00 0.00 72.50 67.43 2gya s THR 171 CO -0.04 -0.90 1.32 0.54 -2.21 0.00 0.00 174.62 173.33 2gya s VAL 172 N -0.29 3.60 0.47 5.08 0.11 -1.03 -4.89 120.40 123.45 2gya s VAL 172 Ca 0.18 1.14 0.03 0.00 -2.93 0.00 0.00 61.98 60.40 2gya s VAL 172 Cb -0.19 -3.73 0.01 0.00 -1.53 0.00 0.00 36.38 30.94 2gya s VAL 172 CO -0.04 0.08 0.67 -1.10 -3.33 0.00 0.00 175.10 171.38 2gya s GLN 173 N 1.14 2.84 -0.95 1.54 -0.21 -1.26 -2.46 119.66 120.31 2gya s GLN 173 Ca 0.62 -0.78 -0.09 0.00 0.02 0.00 0.00 55.36 55.13 2gya s GLN 173 Cb -0.34 -2.60 -0.01 0.00 1.00 0.00 0.00 33.01 31.06 2gya s GLN 173 CO 0.30 -0.39 0.76 0.43 -2.12 0.00 0.00 175.29 174.26 2gya n SER 174 N -2.08 -6.20 -4.13 5.90 7.64 -1.26 -4.97 113.62 108.52 2gya n SER 174 Ca 0.05 -0.68 -0.37 0.00 1.01 0.00 0.00 58.87 58.87 2gya n SER 174 Cb 0.59 -3.96 -0.10 0.00 -1.01 0.00 0.00 64.21 59.73 2gya n SER 174 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2gya s LEU 175 N -5.32 5.35 0.35 -3.43 1.43 -0.54 -4.91 118.68 111.60 2gya s LEU 175 Ca 0.26 -2.41 -0.28 0.00 -1.03 0.00 0.00 54.13 50.66 2gya s LEU 175 Cb -0.07 -1.87 -0.12 0.00 0.03 0.00 0.00 46.19 44.15 2gya s LEU 175 CO 0.82 -0.48 1.42 0.47 0.23 0.00 0.00 176.35 178.80 2gya n ASP 176 N 4.11 3.36 -4.42 2.29 8.00 -1.26 -2.21 116.55 126.42 2gya n ASP 176 Ca 0.02 1.21 -0.44 0.00 0.71 0.00 0.00 54.79 56.29 2gya n ASP 176 Cb 0.40 -1.56 -0.05 0.00 -0.02 0.00 0.00 41.12 39.89 2gya n ASP 176 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2gya s VAL 177 N -0.91 4.72 0.08 2.53 1.01 -0.41 -1.79 120.40 125.64 2gya s VAL 177 Ca 0.56 -0.64 -0.35 0.00 0.00 0.00 0.00 61.98 61.56 2gya s VAL 177 Cb -0.52 -4.47 -0.17 0.00 0.00 0.00 0.00 36.38 31.22 2gya s VAL 177 CO 0.61 -1.08 1.59 0.58 0.00 0.00 0.00 175.10 176.79 2gya h VAL 178 N 5.92 0.12 -1.41 2.92 2.07 -1.06 1.05 116.25 125.86 2gya h VAL 178 Ca -0.28 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.54 2gya h VAL 178 Cb 1.09 0.12 -0.16 0.00 -1.52 0.00 0.00 31.29 30.82 2gya h VAL 178 CO 1.07 0.00 0.84 -0.60 0.02 0.00 0.00 177.57 178.90 2gya s ARG 179 N -5.96 0.32 -0.50 1.57 3.52 -1.23 -4.31 118.95 112.36 2gya s ARG 179 Ca -0.18 -0.15 -0.06 0.00 -0.13 0.00 0.00 55.73 55.20 2gya s ARG 179 Cb 0.04 0.12 0.13 0.00 -1.56 0.00 0.00 34.95 33.68 2gya s ARG 179 CO 0.61 -0.14 0.34 0.14 -0.81 0.00 0.00 175.30 175.44 2gya s VAL 180 N -2.38 3.92 0.05 7.11 -7.23 -1.26 0.43 120.40 121.05 2gya s VAL 180 Ca 0.12 -2.10 -0.27 0.00 -1.81 0.00 0.00 61.98 57.92 2gya s VAL 180 Cb 0.02 -3.60 0.08 0.00 0.56 0.00 0.00 36.38 33.44 2gya s VAL 180 CO -0.04 -0.78 0.67 1.51 -0.31 0.00 0.00 175.10 176.15 2gya s ASP 181 N 2.07 -0.58 0.00 4.85 -4.77 -1.22 -4.82 116.67 112.19 2gya s ASP 181 Ca 0.09 0.30 0.00 0.00 -3.30 0.00 0.00 52.55 49.64 2gya s ASP 181 Cb -0.23 0.55 0.00 0.00 -1.09 0.00 0.00 42.92 42.14 2gya s ASP 181 CO -0.03 -0.77 0.00 0.00 0.70 0.00 0.00 175.17 175.07 2gya n ALA 182 N 0.19 0.00 -0.33 2.11 0.00 -1.26 -4.56 120.51 116.66 2gya n ALA 182 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.28 2gya n ALA 182 Cb 0.61 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.24 2gya n ALA 182 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2gya h GLU 183 N 1.62 1.16 -5.79 0.00 5.08 -2.01 -3.43 114.58 111.19 2gya h GLU 183 Ca 0.00 -0.07 -0.61 0.00 -1.00 0.00 0.00 59.36 57.68 2gya h GLU 183 Cb 0.00 -0.26 -0.13 0.00 0.50 0.00 0.00 28.75 28.86 2gya h GLU 183 CO 0.00 0.76 -0.65 1.03 -1.00 0.00 0.00 179.01 179.15 2gya s ARG 184 N -6.01 1.84 -0.58 2.33 0.52 -1.26 -5.04 118.95 110.76 2gya s ARG 184 Ca -0.12 -1.98 -0.26 0.00 -0.52 0.00 0.00 55.73 52.85 2gya s ARG 184 Cb 0.19 -1.62 -0.09 0.00 0.52 0.00 0.00 34.95 33.95 2gya s ARG 184 CO 0.81 0.06 2.43 0.09 0.02 0.00 0.00 175.30 178.71 2gya n ASN 185 N -0.83 2.08 -2.58 0.23 5.03 -1.26 -4.81 115.26 113.11 2gya n ASN 185 Ca -0.05 -0.67 -0.08 0.00 0.87 0.00 0.00 54.58 54.65 2gya n ASN 185 Cb 0.65 -1.56 -0.02 0.00 -1.02 0.00 0.00 39.78 37.83 2gya n ASN 185 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2gya n LEU 186 N 16.13 0.00 -3.92 3.41 4.77 -1.26 -1.57 117.00 134.55 2gya n LEU 186 Ca 0.41 -0.83 -0.13 0.00 -0.03 0.00 0.00 56.01 55.42 2gya n LEU 186 Cb 0.50 0.13 -0.14 0.00 -2.33 0.00 0.00 43.42 41.58 2gya n LEU 186 CO 0.69 -0.12 -0.38 -0.22 -1.33 0.00 0.00 177.39 176.04 2gya s LEU 187 N 0.00 2.04 -0.39 2.23 2.96 0.18 -3.44 118.68 122.25 2gya s LEU 187 Ca 0.01 -0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.72 2gya s LEU 187 Cb 0.00 -0.11 0.06 0.00 0.50 0.00 0.00 46.19 46.64 2gya s LEU 187 CO 0.01 -0.01 0.22 -0.76 -1.32 0.00 0.00 176.35 174.49 2gya s LEU 188 N -0.25 4.87 -0.17 -0.68 1.43 0.17 -0.92 118.68 123.14 2gya s LEU 188 Ca -0.01 -1.27 -0.10 0.00 -1.03 0.00 0.00 54.13 51.72 2gya s LEU 188 Cb -0.02 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 2gya s LEU 188 CO -0.00 -0.45 0.15 -0.69 0.23 0.00 0.00 176.35 175.58 2gya s VAL 189 N 1.47 5.42 0.23 -1.59 1.01 -0.96 -0.39 120.40 125.59 2gya s VAL 189 Ca 0.02 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 2gya s VAL 189 Cb -0.21 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 2gya s VAL 189 CO 0.04 0.49 1.35 -0.75 0.00 0.00 0.00 175.10 176.23 2gya s LYS 190 N -0.04 4.35 3.03 2.72 2.20 -0.74 -0.61 119.74 130.64 2gya s LYS 190 Ca 0.11 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 2gya s LYS 190 Cb -0.12 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 2gya s LYS 190 CO 0.00 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 2gya n GLY 191 N 2.17 -0.09 3.63 5.54 0.00 -0.31 -4.73 105.19 111.41 2gya n GLY 191 Ca 0.06 -1.12 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 2gya n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gya s ALA 192 N -1.44 3.21 -0.04 4.61 0.00 -1.26 -3.32 121.76 123.52 2gya s ALA 192 Ca 0.00 -1.93 0.02 0.00 0.00 0.00 0.00 51.96 50.05 2gya s ALA 192 Cb 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.71 2gya s ALA 192 CO 0.00 0.08 -0.09 0.08 0.00 0.00 0.00 175.76 175.83 2gya s VAL 193 N -2.50 0.85 0.66 0.00 1.01 -1.26 -5.03 120.40 114.13 2gya s VAL 193 Ca 0.35 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 2gya s VAL 193 Cb -0.01 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 2gya s VAL 193 CO 0.19 0.28 0.58 -2.65 0.00 0.00 0.00 175.10 173.50 2gya n PRO 194 N 3.58 0.43 0.00 2.72 -0.02 -1.26 -4.81 135.00 135.64 2gya n PRO 194 Ca -0.21 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2gya n PRO 194 Cb 0.53 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 2gya n PRO 194 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gya n GLY 195 N 1.65 -0.53 3.78 -1.23 0.00 -1.25 -4.77 105.19 102.84 2gya n GLY 195 Ca 0.11 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.24 2gya n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gya n ALA 196 N -0.34 -0.04 -1.77 4.61 0.00 -1.26 -4.69 120.51 117.03 2gya n ALA 196 Ca 0.00 -1.88 -0.41 0.00 0.00 0.00 0.00 53.44 51.15 2gya n ALA 196 Cb 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 2gya n ALA 196 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2gya s THR 197 N -3.12 2.74 0.00 0.00 -1.32 -1.26 -2.23 115.64 110.45 2gya s THR 197 Ca 0.66 0.75 0.00 0.00 -1.21 0.00 0.00 61.69 61.89 2gya s THR 197 Cb -0.03 -3.48 0.00 0.00 -1.51 0.00 0.00 72.50 67.48 2gya s THR 197 CO 0.44 0.18 0.00 0.61 -2.21 0.00 0.00 174.62 173.64 2gya n GLY 198 N 0.81 2.53 3.76 6.08 0.00 0.26 -4.92 105.19 113.72 2gya n GLY 198 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2gya n GLY 198 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gya s SER 199 N -1.78 4.97 -0.34 1.61 0.01 -0.95 -4.66 113.70 112.56 2gya s SER 199 Ca 0.00 2.14 -0.20 0.00 1.31 0.00 0.00 55.95 59.20 2gya s SER 199 Cb 0.00 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.66 2gya s SER 199 CO 0.00 -1.73 0.60 -0.62 0.41 0.00 0.00 173.24 171.90 2gya s ASP 200 N -2.26 6.41 -0.00 2.44 2.15 -1.26 -2.55 116.67 121.59 2gya s ASP 200 Ca 0.70 0.17 0.07 0.00 0.43 0.00 0.00 52.55 53.92 2gya s ASP 200 Cb -0.24 -2.31 -0.03 0.00 -0.30 0.00 0.00 42.92 40.04 2gya s ASP 200 CO 0.40 -0.54 -0.21 -1.48 -0.17 0.00 0.00 175.17 173.17 2gya s LEU 201 N 2.60 2.38 0.17 -1.34 0.05 -0.90 -4.67 118.68 116.99 2gya s LEU 201 Ca 0.23 -0.40 0.06 0.00 0.05 0.00 0.00 54.13 54.06 2gya s LEU 201 Cb -0.15 -1.43 -0.04 0.00 -2.05 0.00 0.00 46.19 42.52 2gya s LEU 201 CO 0.14 0.30 0.12 0.27 -0.55 0.00 0.00 176.35 176.63 2gya s ILE 202 N -0.75 4.38 0.13 1.48 -4.36 -1.13 -1.87 121.20 119.08 2gya s ILE 202 Ca 0.12 -1.16 0.09 0.00 -0.26 0.00 0.00 60.65 59.43 2gya s ILE 202 Cb -0.10 -3.25 -0.04 0.00 1.25 0.00 0.00 42.46 40.32 2gya s ILE 202 CO 0.01 -0.13 -0.16 -0.69 0.24 0.00 0.00 174.94 174.21 2gya s VAL 203 N -1.79 2.94 -0.26 8.37 1.01 0.33 -3.11 120.40 127.89 2gya s VAL 203 Ca 0.31 -1.51 -0.18 0.00 0.00 0.00 0.00 61.98 60.59 2gya s VAL 203 Cb -0.10 -2.37 0.07 0.00 0.00 0.00 0.00 36.38 33.99 2gya s VAL 203 CO 0.23 0.07 0.66 -0.75 0.00 0.00 0.00 175.10 175.30 2gya s LYS 204 N -2.26 0.71 -0.23 2.72 2.20 -0.90 -2.81 119.74 119.17 2gya s LYS 204 Ca 0.19 1.09 -0.37 0.00 -0.36 0.00 0.00 55.97 56.52 2gya s LYS 204 Cb -0.10 0.21 -0.13 0.00 -1.51 0.00 0.00 37.83 36.29 2gya s LYS 204 CO 0.11 -0.13 1.89 -2.30 -0.36 0.00 0.00 175.35 174.56 2gya n PRO 205 N 3.75 1.49 -1.49 4.03 -0.02 -1.26 0.17 135.00 141.68 2gya n PRO 205 Ca -0.18 0.53 -0.61 0.00 -2.02 0.00 0.00 63.50 61.22 2gya n PRO 205 Cb 0.57 -2.37 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 2gya n PRO 205 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gya n ALA 206 N 6.77 -0.85 -0.27 3.55 0.00 -0.91 -4.68 120.51 124.12 2gya n ALA 206 Ca 0.28 0.38 0.09 0.00 0.00 0.00 0.00 53.44 54.19 2gya n ALA 206 Cb 0.21 -1.81 0.33 0.00 0.00 0.00 0.00 19.45 18.17 2gya n ALA 206 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2gya h VAL 207 N 5.13 0.93 -2.45 0.00 -1.51 -1.93 -3.39 116.25 113.03 2gya h VAL 207 Ca -0.32 -0.28 -0.18 0.00 -1.23 0.00 0.00 66.70 64.70 2gya h VAL 207 Cb 1.28 0.04 -0.31 0.00 -2.13 0.00 0.00 31.29 30.17 2gya h VAL 207 CO 0.93 0.15 -0.48 -1.59 -1.23 0.00 0.00 177.57 175.35 2gya s LYS 208 N -5.76 0.26 0.00 5.19 -2.85 -1.26 -5.21 119.74 110.11 2gya s LYS 208 Ca -0.10 0.70 0.05 0.00 -1.00 0.00 0.00 55.97 55.62 2gya s LYS 208 Cb 0.21 -0.20 0.04 0.00 -2.06 0.00 0.00 37.83 35.82 2gya s LYS 208 CO 0.79 -0.42 0.66 0.00 0.10 0.00 0.00 175.35 176.48