#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2atp s ILE 2 N 0.00 5.05 -0.10 -0.08 1.01 -1.23 -2.38 121.20 123.46 2atp s ILE 2 Ca 0.00 1.06 -0.04 0.00 0.00 0.00 0.00 60.65 61.68 2atp s ILE 2 Cb 0.00 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 2atp s ILE 2 CO 0.00 0.11 0.04 -1.58 0.00 0.00 0.00 174.94 173.52 2atp s GLN 3 N 2.00 3.17 -0.00 2.79 0.74 -1.26 -1.14 119.66 125.96 2atp s GLN 3 Ca 0.26 -0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.35 2atp s GLN 3 Cb -0.16 -2.93 -0.00 0.00 1.10 0.00 0.00 33.01 31.02 2atp s GLN 3 CO 0.10 0.70 -0.01 0.95 -0.55 0.00 0.00 175.29 176.48 2atp s THR 4 N -0.85 0.05 0.67 -0.34 -4.23 -0.80 -4.22 115.64 105.92 2atp s THR 4 Ca 0.13 -0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.53 2atp s THR 4 Cb -0.12 -0.06 0.03 0.00 1.34 0.00 0.00 72.50 73.70 2atp s THR 4 CO 0.03 0.02 1.00 -2.16 -0.54 0.00 0.00 174.62 172.97 2atp s PRO 5 N -0.01 2.62 0.28 3.99 0.04 -1.26 -1.04 135.00 139.62 2atp s PRO 5 Ca 0.00 0.05 0.11 0.00 0.04 0.00 0.00 61.00 61.20 2atp s PRO 5 Cb -0.00 -2.16 0.36 0.00 0.04 0.00 0.00 34.50 32.74 2atp s PRO 5 CO -0.00 -1.01 1.61 0.66 0.04 0.00 0.00 177.00 178.30 2atp h SER 6 N -0.49 0.00 -4.88 6.66 4.64 -1.76 -3.39 113.55 114.35 2atp h SER 6 Ca -0.45 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.73 2atp h SER 6 Cb 1.28 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.16 2atp h SER 6 CO 0.62 0.61 -0.41 -0.94 -0.87 0.00 0.00 176.83 175.83 2atp s SER 7 N -6.77 -0.07 -0.16 4.97 1.04 -1.26 -0.74 113.70 110.70 2atp s SER 7 Ca -0.01 -0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.30 2atp s SER 7 Cb 0.12 0.27 0.07 0.00 0.10 0.00 0.00 66.02 66.57 2atp s SER 7 CO 0.76 -0.37 0.36 -0.22 0.98 0.00 0.00 173.24 174.74 2atp s LEU 8 N -1.23 -0.20 -0.29 2.42 2.96 -0.14 -4.87 118.68 117.32 2atp s LEU 8 Ca -0.13 0.80 -0.07 0.00 -0.22 0.00 0.00 54.13 54.51 2atp s LEU 8 Cb -0.06 1.12 0.00 0.00 0.50 0.00 0.00 46.19 47.75 2atp s LEU 8 CO 0.02 -0.21 0.08 -0.22 -1.32 0.00 0.00 176.35 174.70 2atp s LEU 9 N 1.92 3.78 0.06 -0.68 2.96 -1.26 -1.85 118.68 123.60 2atp s LEU 9 Ca -0.05 -0.64 0.04 0.00 -0.22 0.00 0.00 54.13 53.25 2atp s LEU 9 Cb -0.10 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 2atp s LEU 9 CO -0.11 -0.17 -0.11 0.54 -1.32 0.00 0.00 176.35 175.18 2atp s VAL 10 N 1.51 0.83 0.49 1.68 0.11 -0.92 -5.01 120.40 119.09 2atp s VAL 10 Ca 0.03 -1.24 -0.09 0.00 -2.93 0.00 0.00 61.98 57.75 2atp s VAL 10 Cb -0.17 -0.89 -0.05 0.00 -1.53 0.00 0.00 36.38 33.74 2atp s VAL 10 CO 0.02 -0.34 0.84 -1.10 -3.33 0.00 0.00 175.10 171.19 2atp s GLN 11 N -1.80 3.65 0.23 1.54 -0.21 -1.26 0.19 119.66 122.00 2atp s GLN 11 Ca -0.05 0.44 -0.31 0.00 0.02 0.00 0.00 55.36 55.46 2atp s GLN 11 Cb -0.09 -2.31 -0.14 0.00 1.00 0.00 0.00 33.01 31.47 2atp s GLN 11 CO 0.01 -0.23 1.30 2.41 -2.12 0.00 0.00 175.29 176.66 2atp n THR 12 N -2.00 1.09 -1.00 -0.19 -1.04 -1.26 -2.25 114.28 107.62 2atp n THR 12 Ca 0.03 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 2atp n THR 12 Cb 0.54 -1.27 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 2atp n THR 12 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2atp n ASN 13 N 1.95 -1.34 -1.62 8.00 5.15 0.22 -4.92 115.26 122.70 2atp n ASN 13 Ca 0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 2atp n ASN 13 Cb 0.30 -0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 2atp n ASN 13 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2atp n HIS 14 N -2.45 -2.23 -4.34 1.20 8.25 -0.96 -4.24 115.22 110.45 2atp n HIS 14 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 2atp n HIS 14 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 2atp n HIS 14 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2atp s THR 15 N 1.04 3.87 -0.26 1.59 2.01 -1.26 -2.34 115.64 120.28 2atp s THR 15 Ca 0.00 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.27 2atp s THR 15 Cb 0.00 -2.72 0.06 0.00 0.01 0.00 0.00 72.50 69.85 2atp s THR 15 CO 0.00 0.34 -0.11 0.00 -0.69 0.00 0.00 174.62 174.17 2atp s ALA 16 N -1.07 2.55 -0.14 7.40 0.00 -0.73 -4.96 121.76 124.80 2atp s ALA 16 Ca 0.19 -1.76 -0.01 0.00 0.00 0.00 0.00 51.96 50.38 2atp s ALA 16 Cb -0.11 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 2atp s ALA 16 CO 0.10 -1.21 -0.11 0.21 0.00 0.00 0.00 175.76 174.76 2atp s LYS 17 N 1.11 3.45 0.10 0.00 2.20 -1.26 -1.73 119.74 123.61 2atp s LYS 17 Ca -0.09 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 54.90 2atp s LYS 17 Cb -0.20 -2.70 -0.04 0.00 -1.51 0.00 0.00 37.83 33.38 2atp s LYS 17 CO -0.05 0.22 -0.07 0.00 -0.36 0.00 0.00 175.35 175.09 2atp s MET 18 N 0.36 0.85 0.20 4.03 0.23 -0.63 -4.64 119.30 119.71 2atp s MET 18 Ca -0.09 -1.34 0.00 0.00 -1.03 0.00 0.00 55.69 53.23 2atp s MET 18 Cb -0.16 -0.26 -0.04 0.00 -1.53 0.00 0.00 34.83 32.84 2atp s MET 18 CO 0.05 -0.01 0.09 -1.54 -2.03 0.00 0.00 175.02 171.58 2atp s SER 19 N -3.02 0.69 -0.06 -1.18 1.04 -0.21 -0.87 113.70 110.09 2atp s SER 19 Ca 0.12 -1.32 0.02 0.00 0.48 0.00 0.00 55.95 55.24 2atp s SER 19 Cb 0.05 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.44 2atp s SER 19 CO -0.04 -0.74 -0.09 0.00 0.98 0.00 0.00 173.24 173.34 2atp s GLU 21 N 0.77 2.98 -0.67 0.00 2.12 -0.29 -2.47 118.70 121.15 2atp s GLU 21 Ca -0.13 -1.33 -0.24 0.00 0.36 0.00 0.00 54.97 53.63 2atp s GLU 21 Cb -0.15 -4.13 0.05 0.00 0.26 0.00 0.00 34.13 30.16 2atp s GLU 21 CO 0.02 -1.03 1.06 0.08 -0.54 0.00 0.00 175.26 174.86 2atp s VAL 22 N 1.67 4.15 -0.70 3.70 1.01 0.57 -3.50 120.40 127.29 2atp s VAL 22 Ca 0.04 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.07 2atp s VAL 22 Cb -0.24 -4.73 0.17 0.00 0.00 0.00 0.00 36.38 31.57 2atp s VAL 22 CO 0.07 -1.52 0.49 -1.59 0.00 0.00 0.00 175.10 172.54 2atp s LYS 23 N 4.56 2.45 0.00 2.72 -2.85 -1.26 -4.78 119.74 120.59 2atp s LYS 23 Ca 0.28 -3.33 0.00 0.00 -1.00 0.00 0.00 55.97 51.92 2atp s LYS 23 Cb -0.13 -3.42 0.00 0.00 -2.06 0.00 0.00 37.83 32.21 2atp s LYS 23 CO 0.13 -1.28 0.00 0.43 0.10 0.00 0.00 175.35 174.73 2atp n SER 24 N 2.00 0.00 0.24 0.03 7.64 -1.26 -4.98 113.62 117.30 2atp n SER 24 Ca 0.19 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.24 2atp n SER 24 Cb 0.35 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 64.25 2atp n SER 24 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 2atp h ILE 25 N 0.00 0.00 0.00 0.44 3.07 -2.05 -3.39 117.51 115.58 2atp h ILE 25 Ca 0.00 -0.35 -0.39 0.00 1.55 0.00 0.00 64.86 65.67 2atp h ILE 25 Cb 0.00 1.26 0.07 0.00 -0.27 0.00 0.00 36.82 37.88 2atp h ILE 25 CO 0.00 0.00 1.52 -0.24 -1.05 0.00 0.00 178.15 178.38 2atp n SER 26 N -2.84 1.30 -4.55 2.16 2.88 -1.26 -4.79 113.62 106.52 2atp n SER 26 Ca 0.00 -2.35 -0.35 0.00 -1.33 0.00 0.00 58.87 54.84 2atp n SER 26 Cb 0.24 -0.65 -0.03 0.00 -0.75 0.00 0.00 64.21 63.02 2atp n SER 26 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2atp s LYS 27 N 5.70 2.54 0.00 -1.46 1.02 -1.26 -4.69 119.74 121.59 2atp s LYS 27 Ca 0.42 0.51 0.00 0.00 0.02 0.00 0.00 55.97 56.93 2atp s LYS 27 Cb 0.10 -4.54 0.00 0.00 -0.52 0.00 0.00 37.83 32.87 2atp s LYS 27 CO 0.17 -2.95 0.00 1.28 -0.92 0.00 0.00 175.35 172.93 2atp n LEU 28 N 13.41 0.00 -0.13 3.17 4.77 -1.26 -4.86 117.00 132.11 2atp n LEU 28 Ca 0.26 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.98 2atp n LEU 28 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 2atp n LEU 28 CO 0.69 0.00 -1.36 0.41 -1.33 0.00 0.00 177.39 175.79 2atp n THR 29 N 0.00 1.39 -4.02 -5.08 -1.04 -1.26 -4.79 114.28 99.48 2atp n THR 29 Ca 0.00 -0.38 -0.10 0.00 -2.04 0.00 0.00 64.05 61.53 2atp n THR 29 Cb 0.00 -1.77 -0.06 0.00 -1.82 0.00 0.00 70.33 66.68 2atp n THR 29 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2atp s SER 30 N -7.14 -0.01 -0.26 8.00 0.01 -1.26 -1.36 113.70 111.67 2atp s SER 30 Ca -0.35 -1.01 -0.16 0.00 1.31 0.00 0.00 55.95 55.74 2atp s SER 30 Cb 0.13 0.58 0.08 0.00 0.21 0.00 0.00 66.02 67.01 2atp s SER 30 CO 0.46 -1.13 0.66 -0.51 0.41 0.00 0.00 173.24 173.13 2atp s ILE 31 N -3.95 -0.00 0.19 1.44 1.10 -0.83 -4.70 121.20 114.45 2atp s ILE 31 Ca 0.24 0.01 0.11 0.00 -0.51 0.00 0.00 60.65 60.50 2atp s ILE 31 Cb 0.00 -0.95 -0.04 0.00 0.15 0.00 0.00 42.46 41.62 2atp s ILE 31 CO 0.10 0.00 -0.19 -0.31 -2.11 0.00 0.00 174.94 172.43 2atp s TYR 32 N 1.47 2.40 -0.12 3.50 1.51 0.28 -1.10 117.35 125.29 2atp s TYR 32 Ca -0.09 -0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 55.64 2atp s TYR 32 Cb -0.05 -1.18 0.03 0.00 -0.11 0.00 0.00 41.96 40.66 2atp s TYR 32 CO -0.17 0.52 -0.03 -1.58 -1.11 0.00 0.00 175.55 173.17 2atp s TRP 33 N -1.73 1.24 0.22 2.71 0.52 0.18 -0.69 118.94 121.40 2atp s TRP 33 Ca 0.22 -0.67 0.10 0.00 0.02 0.00 0.00 56.10 55.77 2atp s TRP 33 Cb -0.08 -1.10 -0.05 0.00 -1.15 0.00 0.00 33.47 31.09 2atp s TRP 33 CO 0.12 -0.50 -0.18 -0.51 0.02 0.00 0.00 176.95 175.89 2atp s LEU 34 N 1.79 2.53 0.00 2.99 2.01 -0.05 -0.78 118.68 127.17 2atp s LEU 34 Ca 0.03 -0.98 0.08 0.00 0.01 0.00 0.00 54.13 53.27 2atp s LEU 34 Cb -0.14 -0.92 -0.02 0.00 0.01 0.00 0.00 46.19 45.11 2atp s LEU 34 CO -0.07 -0.03 -0.23 -0.60 1.01 0.00 0.00 176.35 176.42 2atp s ARG 35 N -3.31 2.07 -0.72 1.70 3.52 -0.71 -1.34 118.95 120.16 2atp s ARG 35 Ca 0.24 -0.96 -0.15 0.00 -0.13 0.00 0.00 55.73 54.73 2atp s ARG 35 Cb -0.04 -2.09 0.18 0.00 -1.56 0.00 0.00 34.95 31.44 2atp s ARG 35 CO 0.10 0.55 0.67 -2.00 -0.81 0.00 0.00 175.30 173.82 2atp s GLU 36 N -0.91 3.36 0.27 5.12 2.12 -0.62 -1.24 118.70 126.80 2atp s GLU 36 Ca 0.11 -2.14 -0.29 0.00 0.36 0.00 0.00 54.97 53.01 2atp s GLU 36 Cb -0.10 -4.39 -0.10 0.00 0.26 0.00 0.00 34.13 29.81 2atp s GLU 36 CO 0.01 -1.32 1.24 1.03 -0.54 0.00 0.00 175.26 175.68 2atp s ARG 37 N 0.81 4.45 -0.13 4.30 1.81 -0.65 -4.30 118.95 125.24 2atp s ARG 37 Ca 0.12 2.04 -0.05 0.00 -1.72 0.00 0.00 55.73 56.12 2atp s ARG 37 Cb -0.18 -3.15 0.06 0.00 -0.45 0.00 0.00 34.95 31.24 2atp s ARG 37 CO -0.04 -0.09 0.28 -1.14 -0.68 0.00 0.00 175.30 173.63 2atp s GLN 38 N -1.11 0.19 -0.06 3.54 2.00 -1.26 -2.67 119.66 120.28 2atp s GLN 38 Ca 0.50 0.74 0.01 0.00 -2.00 0.00 0.00 55.36 54.62 2atp s GLN 38 Cb -0.36 -0.01 0.02 0.00 0.80 0.00 0.00 33.01 33.46 2atp s GLN 38 CO 0.44 -0.25 -0.08 0.16 -0.50 0.00 0.00 175.29 175.06 2atp s ASP 39 N 2.18 1.51 -0.22 6.67 -4.77 -1.07 -5.03 116.67 115.93 2atp s ASP 39 Ca -0.02 -0.23 -0.04 0.00 -3.30 0.00 0.00 52.55 48.96 2atp s ASP 39 Cb -0.12 -0.68 -0.06 0.00 -1.09 0.00 0.00 42.92 40.98 2atp s ASP 39 CO -0.09 -0.02 1.24 -2.65 0.70 0.00 0.00 175.17 174.35 2atp n PRO 40 N 4.06 0.02 0.00 2.11 -0.02 -1.26 -2.04 135.00 137.88 2atp n PRO 40 Ca -0.22 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.04 2atp n PRO 40 Cb 0.51 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 2atp n PRO 40 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2atp n LYS 41 N 5.07 0.00 -4.01 -0.52 5.02 -1.26 -5.14 118.16 117.32 2atp n LYS 41 Ca 0.11 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.17 2atp n LYS 41 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.45 2atp n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2atp s ASP 42 N -4.00 6.08 -0.03 4.39 1.01 -0.86 -5.13 116.67 118.12 2atp s ASP 42 Ca 0.00 0.01 -0.06 0.00 0.71 0.00 0.00 52.55 53.20 2atp s ASP 42 Cb 0.00 -1.73 0.01 0.00 1.01 0.00 0.00 42.92 42.21 2atp s ASP 42 CO 0.00 -0.02 0.15 -0.75 0.21 0.00 0.00 175.17 174.77 2atp s LYS 43 N -3.67 0.32 -0.12 8.23 2.20 -1.26 -2.61 119.74 122.84 2atp s LYS 43 Ca 0.34 -0.05 -0.31 0.00 -0.36 0.00 0.00 55.97 55.58 2atp s LYS 43 Cb -0.09 0.14 0.12 0.00 -1.51 0.00 0.00 37.83 36.49 2atp s LYS 43 CO 0.27 -0.06 1.05 1.52 -0.36 0.00 0.00 175.35 177.77 2atp s TYR 44 N -0.56 -0.25 0.29 4.03 -0.85 -1.09 -5.06 117.35 113.86 2atp s TYR 44 Ca -0.06 0.22 -0.05 0.00 -0.52 0.00 0.00 57.07 56.66 2atp s TYR 44 Cb -0.04 0.51 -0.05 0.00 0.38 0.00 0.00 41.96 42.76 2atp s TYR 44 CO 0.01 -0.35 0.55 -0.06 -1.52 0.00 0.00 175.55 174.18 2atp s PHE 45 N -2.42 3.48 0.06 -3.49 0.08 -1.26 -1.63 117.98 112.80 2atp s PHE 45 Ca 0.06 0.64 0.04 0.00 0.12 0.00 0.00 56.93 57.79 2atp s PHE 45 Cb -0.01 -2.10 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 2atp s PHE 45 CO -0.06 0.17 -0.13 -1.83 -0.10 0.00 0.00 175.22 173.28 2atp s GLU 46 N -3.55 0.75 -0.21 0.44 -1.05 -0.37 -4.92 118.70 109.78 2atp s GLU 46 Ca 0.44 -0.89 -0.26 0.00 -0.15 0.00 0.00 54.97 54.11 2atp s GLU 46 Cb -0.11 -0.70 -0.00 0.00 -0.44 0.00 0.00 34.13 32.88 2atp s GLU 46 CO 0.30 0.15 0.88 0.12 0.95 0.00 0.00 175.26 177.66 2atp s PHE 47 N -1.26 3.36 -0.20 4.83 5.36 -1.26 -1.74 117.98 127.06 2atp s PHE 47 Ca -0.04 1.26 -0.16 0.00 -0.96 0.00 0.00 56.93 57.03 2atp s PHE 47 Cb -0.10 -3.09 -0.10 0.00 -0.34 0.00 0.00 43.02 39.39 2atp s PHE 47 CO 0.02 -0.36 -0.16 1.28 -1.46 0.00 0.00 175.22 174.53 2atp n LEU 48 N 5.81 1.89 -3.64 6.12 4.32 0.04 -4.19 117.00 127.35 2atp n LEU 48 Ca 0.07 0.43 -0.02 0.00 -0.02 0.00 0.00 56.01 56.47 2atp n LEU 48 Cb 0.48 -0.85 -0.01 0.00 -1.62 0.00 0.00 43.42 41.41 2atp n LEU 48 CO 0.49 0.05 0.92 0.00 -1.22 0.00 0.00 177.39 177.62 2atp s ALA 49 N -2.61 -2.00 0.14 -1.18 0.00 -1.04 -0.41 121.76 114.66 2atp s ALA 49 Ca -0.28 0.71 -0.13 0.00 0.00 0.00 0.00 51.96 52.27 2atp s ALA 49 Cb 0.07 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.57 2atp s ALA 49 CO 0.44 -0.94 0.34 -1.54 0.00 0.00 0.00 175.76 174.06 2atp s SER 50 N -2.79 -0.08 -0.08 0.00 1.04 0.10 -0.64 113.70 111.26 2atp s SER 50 Ca 0.12 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.99 2atp s SER 50 Cb 0.01 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.60 2atp s SER 50 CO -0.03 -0.86 -0.09 0.86 0.98 0.00 0.00 173.24 174.10 2atp s TRP 51 N -3.87 1.30 0.04 5.02 -0.00 -0.25 -1.30 118.94 119.88 2atp s TRP 51 Ca 0.08 -0.53 0.08 0.00 -0.00 0.00 0.00 56.10 55.73 2atp s TRP 51 Cb 0.03 -1.04 -0.03 0.00 -0.00 0.00 0.00 33.47 32.43 2atp s TRP 51 CO -0.07 -0.35 -0.24 0.45 -0.00 0.00 0.00 176.95 176.74 2atp s SER 52 N 1.13 2.88 0.48 5.86 0.15 0.11 -1.96 113.70 122.34 2atp s SER 52 Ca -0.06 -0.55 0.27 0.00 0.70 0.00 0.00 55.95 56.31 2atp s SER 52 Cb -0.14 -0.26 0.82 0.00 -1.71 0.00 0.00 66.02 64.73 2atp s SER 52 CO -0.01 0.23 1.78 0.77 1.20 0.00 0.00 173.24 177.20 2atp h SER 53 N 4.89 0.00 0.27 5.45 4.64 -1.51 -0.94 113.55 126.34 2atp h SER 53 Ca -0.45 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.83 2atp h SER 53 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2atp h SER 53 CO 0.44 0.06 -1.77 -1.54 -0.87 0.00 0.00 176.83 173.15 2atp n SER 54 N -3.14 0.25 0.00 4.97 3.41 -1.26 -4.62 113.62 113.24 2atp n SER 54 Ca 0.02 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2atp n SER 54 Cb 0.44 1.43 0.00 0.00 -0.26 0.00 0.00 64.21 65.81 2atp n SER 54 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2atp n LYS 55 N -2.45 -0.35 0.00 4.33 5.02 -1.22 -5.13 118.16 118.36 2atp n LYS 55 Ca -0.06 -0.27 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 2atp n LYS 55 Cb 0.64 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.89 2atp n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2atp n GLY 56 N 0.03 0.47 3.57 0.72 0.00 -0.36 -4.81 105.19 104.80 2atp n GLY 56 Ca 0.00 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 2atp n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2atp s VAL 57 N 0.00 4.33 0.01 1.61 1.01 -1.26 0.05 120.40 126.15 2atp s VAL 57 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.85 2atp s VAL 57 Cb 0.00 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 2atp s VAL 57 CO 0.00 0.48 -0.21 -0.76 0.00 0.00 0.00 175.10 174.61 2atp s LEU 58 N 0.35 2.10 0.14 3.92 1.43 -0.42 -4.98 118.68 121.22 2atp s LEU 58 Ca -0.01 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 52.74 2atp s LEU 58 Cb -0.13 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 2atp s LEU 58 CO 0.02 0.21 -0.13 -0.31 0.23 0.00 0.00 176.35 176.37 2atp s TYR 59 N -0.63 2.62 0.54 0.29 1.51 -1.26 -0.72 117.35 119.70 2atp s TYR 59 Ca 0.08 -0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 55.80 2atp s TYR 59 Cb -0.08 -1.34 -0.05 0.00 -0.11 0.00 0.00 41.96 40.38 2atp s TYR 59 CO 0.00 0.45 0.94 0.20 -1.11 0.00 0.00 175.55 176.04 2atp s GLY 60 N -2.45 1.76 0.57 0.71 0.00 0.45 -4.92 107.32 103.44 2atp s GLY 60 Ca 0.22 -0.11 0.27 0.00 0.00 0.00 0.00 44.72 45.09 2atp s GLY 60 CO 0.13 0.13 2.22 -2.09 0.00 0.00 0.00 173.10 173.49 2atp h GLU 61 N 0.26 0.00 0.00 2.90 4.57 -1.90 -0.45 114.58 119.97 2atp h GLU 61 Ca -0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2atp h GLU 61 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2atp h GLU 61 CO 0.62 0.00 0.00 0.66 -1.18 0.00 0.00 179.01 179.11 2atp h SER 62 N 0.00 0.00 -0.17 1.04 4.64 -1.92 -1.93 113.55 115.21 2atp h SER 62 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2atp h SER 62 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2atp h SER 62 CO -0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 2atp n VAL 63 N -2.43 0.20 -2.15 0.95 0.24 -0.18 -4.91 118.33 110.04 2atp n VAL 63 Ca 0.02 -0.57 -0.34 0.00 -2.04 0.00 0.00 64.34 61.40 2atp n VAL 63 Cb 0.24 1.21 0.01 0.00 -1.47 0.00 0.00 33.84 33.83 2atp n VAL 63 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2atp s ASP 64 N -1.79 5.71 0.00 -1.34 -1.08 -0.73 0.11 116.67 117.55 2atp s ASP 64 Ca 0.33 2.02 0.00 0.00 -0.52 0.00 0.00 52.55 54.38 2atp s ASP 64 Cb 0.21 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 2atp s ASP 64 CO 0.31 -1.22 0.00 0.29 0.52 0.00 0.00 175.17 175.07 2atp n LYS 65 N -1.64 0.00 -0.01 4.34 5.02 -1.26 -4.45 118.16 120.16 2atp n LYS 65 Ca 0.10 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.38 2atp n LYS 65 Cb 0.52 -2.91 -0.01 0.00 -0.02 0.00 0.00 35.03 32.61 2atp n LYS 65 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2atp n LYS 66 N -2.00 0.04 -4.10 1.97 4.81 -1.18 -5.03 118.16 112.67 2atp n LYS 66 Ca 0.00 0.01 -0.34 0.00 -0.87 0.00 0.00 58.31 57.11 2atp n LYS 66 Cb 0.00 -0.82 -0.07 0.00 0.02 0.00 0.00 35.03 34.15 2atp n LYS 66 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2atp n ARG 67 N -2.79 -0.80 -1.10 1.64 1.74 0.31 -4.83 116.66 110.82 2atp n ARG 67 Ca -0.03 0.11 -0.21 0.00 -0.77 0.00 0.00 57.85 56.95 2atp n ARG 67 Cb 0.53 -3.81 0.17 0.00 -1.02 0.00 0.00 32.46 28.34 2atp n ARG 67 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2atp n ASN 68 N -2.10 3.74 -4.37 0.55 6.94 -1.26 -4.94 115.26 113.82 2atp n ASN 68 Ca 0.01 -3.44 -0.32 0.00 -0.02 0.00 0.00 54.58 50.81 2atp n ASN 68 Cb 0.44 -0.80 -0.15 0.00 -2.36 0.00 0.00 39.78 36.91 2atp n ASN 68 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2atp s ILE 69 N -2.97 2.66 -0.06 1.53 1.01 -1.26 -0.19 121.20 121.91 2atp s ILE 69 Ca 0.52 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 2atp s ILE 69 Cb 0.43 -2.04 0.03 0.00 0.01 0.00 0.00 42.46 40.89 2atp s ILE 69 CO 0.10 0.57 0.01 -0.63 0.00 0.00 0.00 174.94 174.99 2atp s ILE 70 N -0.22 0.29 0.30 2.92 -1.09 -0.22 -5.00 121.20 118.19 2atp s ILE 70 Ca -0.01 0.16 -0.04 0.00 -2.23 0.00 0.00 60.65 58.53 2atp s ILE 70 Cb -0.13 -0.45 -0.05 0.00 -1.58 0.00 0.00 42.46 40.25 2atp s ILE 70 CO 0.03 0.24 0.56 -0.76 -1.23 0.00 0.00 174.94 173.78 2atp s LEU 71 N 1.91 4.03 -0.17 2.97 1.02 -1.26 -0.57 118.68 126.61 2atp s LEU 71 Ca 0.03 0.70 -0.13 0.00 0.02 0.00 0.00 54.13 54.75 2atp s LEU 71 Cb -0.12 -3.52 0.05 0.00 0.02 0.00 0.00 46.19 42.61 2atp s LEU 71 CO -0.04 -0.22 0.44 -0.70 0.02 0.00 0.00 176.35 175.85 2atp s GLU 72 N -3.68 0.48 -1.17 1.70 2.12 -0.60 -4.90 118.70 112.65 2atp s GLU 72 Ca 0.44 0.71 -0.09 0.00 0.36 0.00 0.00 54.97 56.39 2atp s GLU 72 Cb -0.11 0.14 0.07 0.00 0.26 0.00 0.00 34.13 34.50 2atp s GLU 72 CO 0.31 -0.10 0.39 0.43 -0.54 0.00 0.00 175.26 175.75 2atp n SER 73 N 3.44 -3.24 -0.10 -1.70 7.64 -1.26 -0.92 113.62 117.48 2atp n SER 73 Ca -0.17 -0.31 0.18 0.00 1.01 0.00 0.00 58.87 59.58 2atp n SER 73 Cb 0.56 -2.72 0.59 0.00 -1.01 0.00 0.00 64.21 61.64 2atp n SER 73 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2atp h SER 74 N -0.76 0.21 0.28 6.43 0.02 -1.88 -0.59 113.55 117.26 2atp h SER 74 Ca -0.38 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2atp h SER 74 Cb 1.26 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2atp h SER 74 CO 0.49 0.11 -0.07 -0.90 -1.14 0.00 0.00 176.83 175.32 2atp n ASP 75 N -4.43 0.43 -2.10 3.07 5.75 -1.26 -4.70 116.55 113.32 2atp n ASP 75 Ca 0.13 -0.70 -0.01 0.00 -0.01 0.00 0.00 54.79 54.20 2atp n ASP 75 Cb 0.59 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2atp n ASP 75 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2atp n SER 76 N -0.89 0.06 0.05 -1.12 3.41 -0.23 -4.80 113.62 110.10 2atp n SER 76 Ca 0.17 -1.05 0.13 0.00 -0.26 0.00 0.00 58.87 57.86 2atp n SER 76 Cb 0.25 -0.02 0.49 0.00 -0.26 0.00 0.00 64.21 64.67 2atp n SER 76 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2atp n ARG 77 N -1.06 0.12 -3.51 4.33 1.74 -1.26 -4.32 116.66 112.71 2atp n ARG 77 Ca 0.01 0.09 -0.27 0.00 -0.77 0.00 0.00 57.85 56.91 2atp n ARG 77 Cb 0.02 -1.63 -0.10 0.00 -1.02 0.00 0.00 32.46 29.73 2atp n ARG 77 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2atp n ARG 78 N -1.84 0.87 -2.11 5.56 0.63 -1.26 -0.32 116.66 118.19 2atp n ARG 78 Ca 0.06 -3.65 -0.40 0.00 -0.92 0.00 0.00 57.85 52.95 2atp n ARG 78 Cb 0.38 -1.82 -0.01 0.00 0.45 0.00 0.00 32.46 31.46 2atp n ARG 78 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2atp s PRO 79 N -0.70 4.12 0.04 -0.14 0.02 -1.03 -4.77 135.00 132.53 2atp s PRO 79 Ca 0.32 2.13 0.09 0.00 0.02 0.00 0.00 61.00 63.55 2atp s PRO 79 Cb 0.04 -2.86 -0.03 0.00 0.02 0.00 0.00 34.50 31.67 2atp s PRO 79 CO -0.17 -0.36 -0.25 -0.06 -0.33 0.00 0.00 177.00 175.84 2atp s PHE 80 N -1.24 2.37 -0.09 6.54 0.40 -0.10 -1.38 117.98 124.48 2atp s PHE 80 Ca 0.54 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.51 2atp s PHE 80 Cb -0.38 -1.41 0.01 0.00 0.51 0.00 0.00 43.02 41.75 2atp s PHE 80 CO 0.49 0.14 -0.14 -1.17 0.70 0.00 0.00 175.22 175.25 2atp s LEU 81 N -1.24 1.65 -0.08 -0.37 2.96 -0.04 -1.56 118.68 119.98 2atp s LEU 81 Ca 0.12 -0.37 0.05 0.00 -0.22 0.00 0.00 54.13 53.71 2atp s LEU 81 Cb -0.10 -0.98 -0.01 0.00 0.50 0.00 0.00 46.19 45.60 2atp s LEU 81 CO 0.02 0.01 -0.24 -0.44 -1.32 0.00 0.00 176.35 174.39 2atp s SER 82 N 0.93 3.16 -0.26 3.68 0.01 0.27 -1.61 113.70 119.88 2atp s SER 82 Ca -0.09 -0.52 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 2atp s SER 82 Cb -0.15 -1.16 0.01 0.00 0.21 0.00 0.00 66.02 64.93 2atp s SER 82 CO -0.00 0.20 -0.00 -0.63 0.41 0.00 0.00 173.24 173.22 2atp s ILE 83 N 0.09 3.45 0.36 1.44 1.01 -0.71 -1.05 121.20 125.79 2atp s ILE 83 Ca -0.11 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 59.86 2atp s ILE 83 Cb -0.16 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 2atp s ILE 83 CO 0.06 0.22 0.52 -0.04 0.00 0.00 0.00 174.94 175.70 2atp s MET 84 N 1.44 3.15 -1.36 2.79 -1.94 0.73 -1.78 119.30 122.32 2atp s MET 84 Ca 0.03 -0.81 -0.14 0.00 -1.71 0.00 0.00 55.69 53.05 2atp s MET 84 Cb -0.16 -2.75 0.02 0.00 2.01 0.00 0.00 34.83 33.94 2atp s MET 84 CO -0.01 0.01 0.40 0.09 -0.01 0.00 0.00 175.02 175.49 2atp n ASN 85 N -1.74 -1.69 -4.75 3.03 3.02 -1.03 -4.81 115.26 107.28 2atp n ASN 85 Ca -0.01 -1.21 -0.35 0.00 -0.03 0.00 0.00 54.58 52.98 2atp n ASN 85 Cb 0.58 -2.08 0.05 0.00 -0.61 0.00 0.00 39.78 37.72 2atp n ASN 85 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2atp s VAL 86 N -3.92 2.65 0.12 2.41 1.01 -0.99 -4.59 120.40 117.10 2atp s VAL 86 Ca 0.22 0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.60 2atp s VAL 86 Cb -0.11 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2atp s VAL 86 CO 0.96 -0.13 -0.09 -0.54 0.00 0.00 0.00 175.10 175.30 2atp s LYS 87 N -3.62 0.94 0.59 2.72 -0.14 -1.26 0.73 119.74 119.69 2atp s LYS 87 Ca 0.75 -1.37 0.29 0.00 -1.36 0.00 0.00 55.97 54.28 2atp s LYS 87 Cb -0.28 -0.43 1.55 0.00 -1.68 0.00 0.00 37.83 36.99 2atp s LYS 87 CO 0.38 0.04 1.98 -1.35 -0.76 0.00 0.00 175.35 175.63 2atp h PRO 88 N 2.95 0.00 0.00 -1.68 0.11 -1.98 0.21 132.00 131.61 2atp h PRO 88 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2atp h PRO 88 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2atp h PRO 88 CO 0.63 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 2atp n GLU 89 N -3.74 0.16 0.00 1.05 4.71 -1.26 -1.77 120.64 119.78 2atp n GLU 89 Ca 0.05 0.54 0.13 0.00 -0.01 0.00 0.00 57.16 57.87 2atp n GLU 89 Cb 0.52 -1.91 0.33 0.00 -1.01 0.00 0.00 31.44 29.38 2atp n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2atp n ASP 90 N -2.22 0.84 -4.68 1.62 9.92 0.06 -4.92 116.55 117.16 2atp n ASP 90 Ca 0.00 -0.67 -0.45 0.00 -0.53 0.00 0.00 54.79 53.14 2atp n ASP 90 Cb 0.11 0.18 -0.04 0.00 -0.64 0.00 0.00 41.12 40.73 2atp n ASP 90 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2atp n SER 91 N -0.95 3.64 0.00 -2.24 7.64 -0.73 -4.90 113.62 116.08 2atp n SER 91 Ca 0.10 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.97 2atp n SER 91 Cb 0.34 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 2atp n SER 91 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2atp n ASP 92 N 5.75 0.00 -4.76 6.43 8.00 -0.42 -5.00 116.55 126.55 2atp n ASP 92 Ca 0.20 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.31 2atp n ASP 92 Cb 0.33 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 2atp n ASP 92 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2atp s PHE 93 N -2.00 3.67 -0.05 1.24 0.08 -1.26 0.26 117.98 119.92 2atp s PHE 93 Ca 0.00 1.17 0.05 0.00 0.12 0.00 0.00 56.93 58.27 2atp s PHE 93 Cb 0.00 -2.59 -0.02 0.00 -0.57 0.00 0.00 43.02 39.84 2atp s PHE 93 CO 0.00 0.34 -0.21 0.71 -0.10 0.00 0.00 175.22 175.97 2atp s TYR 94 N -0.14 2.52 -0.02 0.36 2.02 0.12 -1.59 117.35 120.62 2atp s TYR 94 Ca 0.30 -0.41 0.04 0.00 -0.37 0.00 0.00 57.07 56.63 2atp s TYR 94 Cb -0.18 -1.59 -0.00 0.00 -0.40 0.00 0.00 41.96 39.78 2atp s TYR 94 CO 0.16 -0.01 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.95 2atp s PHE 95 N -0.49 1.22 0.43 2.71 0.40 -0.45 -0.53 117.98 121.28 2atp s PHE 95 Ca 0.06 -0.28 -0.00 0.00 -0.60 0.00 0.00 56.93 56.10 2atp s PHE 95 Cb -0.11 -0.82 -0.01 0.00 0.51 0.00 0.00 43.02 42.58 2atp s PHE 95 CO 0.01 -0.08 0.65 0.00 0.70 0.00 0.00 175.22 176.51 2atp s ALA 97 N -2.52 -1.69 0.11 0.00 0.00 0.14 -0.98 121.76 116.81 2atp s ALA 97 Ca 0.46 1.15 0.04 0.00 0.00 0.00 0.00 51.96 53.61 2atp s ALA 97 Cb -0.10 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2atp s ALA 97 CO 0.38 -0.42 -0.10 -0.08 0.00 0.00 0.00 175.76 175.53 2atp s THR 98 N -1.58 1.02 0.29 0.00 -1.32 -0.78 0.99 115.64 114.26 2atp s THR 98 Ca -0.09 -1.72 0.11 0.00 -1.21 0.00 0.00 61.69 58.77 2atp s THR 98 Cb -0.00 -1.46 -0.05 0.00 -1.51 0.00 0.00 72.50 69.47 2atp s THR 98 CO 0.06 -0.58 -0.16 0.68 -2.21 0.00 0.00 174.62 172.42 2atp s VAL 99 N -2.57 2.28 0.00 5.08 -7.23 -1.26 -1.89 120.40 114.81 2atp s VAL 99 Ca 0.08 -2.31 0.00 0.00 -1.81 0.00 0.00 61.98 57.93 2atp s VAL 99 Cb -0.02 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.54 2atp s VAL 99 CO 0.00 -0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 2atp n GLY 100 N -0.64 5.65 2.48 2.32 0.00 0.23 -4.87 105.19 110.38 2atp n GLY 100 Ca -0.05 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 2atp n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2atp n SER 101 N 0.00 3.93 0.01 1.61 7.64 -1.26 -4.38 113.62 121.17 2atp n SER 101 Ca 0.00 -3.47 -0.10 0.00 1.01 0.00 0.00 58.87 56.31 2atp n SER 101 Cb 0.00 -0.68 -0.14 0.00 -1.01 0.00 0.00 64.21 62.38 2atp n SER 101 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2atp h PRO 102 N 4.10 0.05 0.00 1.43 0.11 -2.05 -3.52 132.00 132.12 2atp h PRO 102 Ca 0.19 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2atp h PRO 102 Cb 0.64 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2atp h PRO 102 CO 0.85 0.73 0.00 1.17 -0.21 0.00 0.00 178.00 180.54 2atp n LYS 103 N -3.19 0.00 -4.21 1.05 3.00 -1.26 -4.92 118.16 108.63 2atp n LYS 103 Ca -0.15 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 57.97 2atp n LYS 103 Cb 1.03 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.90 2atp n LYS 103 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 2atp s MET 104 N 0.00 0.77 -0.05 1.64 -2.45 -1.26 0.78 119.30 118.73 2atp s MET 104 Ca 0.00 -0.15 0.02 0.00 -1.25 0.00 0.00 55.69 54.31 2atp s MET 104 Cb 0.00 -0.76 0.01 0.00 1.25 0.00 0.00 34.83 35.33 2atp s MET 104 CO 0.00 -0.01 -0.11 0.08 1.05 0.00 0.00 175.02 176.03 2atp s VAL 105 N 0.58 1.01 0.01 10.11 1.01 -0.79 -5.01 120.40 127.32 2atp s VAL 105 Ca -0.08 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2atp s VAL 105 Cb -0.11 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2atp s VAL 105 CO 0.00 0.32 0.05 -0.36 0.00 0.00 0.00 175.10 175.11 2atp s PHE 106 N 0.47 3.19 0.81 5.22 0.40 -1.26 -1.86 117.98 124.94 2atp s PHE 106 Ca -0.10 0.14 -0.11 0.00 -0.60 0.00 0.00 56.93 56.26 2atp s PHE 106 Cb -0.13 -1.69 0.08 0.00 0.51 0.00 0.00 43.02 41.79 2atp s PHE 106 CO 0.02 0.51 1.10 0.20 0.70 0.00 0.00 175.22 177.75 2atp s GLY 107 N -1.77 1.66 0.17 4.36 0.00 -0.16 -4.58 107.32 107.02 2atp s GLY 107 Ca 0.22 0.23 0.16 0.00 0.00 0.00 0.00 44.72 45.33 2atp s GLY 107 CO 0.14 0.61 1.48 -1.30 0.00 0.00 0.00 173.10 174.02 2atp n THR 108 N -3.66 1.22 0.00 0.90 -2.24 -1.00 -4.74 114.28 104.76 2atp n THR 108 Ca 0.09 0.48 0.00 0.00 -2.27 0.00 0.00 64.05 62.35 2atp n THR 108 Cb 0.53 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 2atp n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2atp n GLY 109 N -0.83 0.41 2.78 3.38 0.00 -1.26 -4.95 105.19 104.71 2atp n GLY 109 Ca 0.01 -1.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.10 2atp n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2atp s THR 110 N -2.92 0.51 -0.41 2.61 2.01 0.32 -4.34 115.64 113.42 2atp s THR 110 Ca 0.00 -0.10 -0.22 0.00 0.31 0.00 0.00 61.69 61.68 2atp s THR 110 Cb 0.00 -0.73 0.02 0.00 0.01 0.00 0.00 72.50 71.80 2atp s THR 110 CO 0.00 0.16 0.72 -0.75 -0.69 0.00 0.00 174.62 174.06 2atp s LYS 111 N 1.91 3.52 -0.15 4.92 2.20 0.08 0.15 119.74 132.36 2atp s LYS 111 Ca 0.04 -0.04 -0.14 0.00 -0.36 0.00 0.00 55.97 55.47 2atp s LYS 111 Cb -0.13 -3.88 -0.05 0.00 -1.51 0.00 0.00 37.83 32.26 2atp s LYS 111 CO -0.06 -0.94 0.30 -1.17 -0.36 0.00 0.00 175.35 173.11 2atp s LEU 112 N 3.01 4.25 -0.12 5.43 2.96 0.14 -0.97 118.68 133.37 2atp s LEU 112 Ca 0.27 0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 54.70 2atp s LEU 112 Cb -0.13 -2.39 0.03 0.00 0.50 0.00 0.00 46.19 44.20 2atp s LEU 112 CO 0.19 0.10 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.38 2atp s THR 113 N 0.42 0.91 -0.22 3.68 2.01 -0.77 -1.30 115.64 120.36 2atp s THR 113 Ca 0.17 -0.31 -0.08 0.00 0.31 0.00 0.00 61.69 61.78 2atp s THR 113 Cb -0.13 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 2atp s THR 113 CO 0.04 0.26 0.09 -0.69 -0.69 0.00 0.00 174.62 173.63 2atp s VAL 114 N 1.74 4.73 0.00 3.82 1.01 -1.26 -2.16 120.40 128.29 2atp s VAL 114 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2atp s VAL 114 Cb -0.13 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2atp s VAL 114 CO -0.08 0.39 0.00 0.52 0.00 0.00 0.00 175.10 175.93