#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2u s ILE 4 N 0.00 0.90 -0.06 3.15 -5.25 -1.26 -5.10 121.20 113.58 2i2u s ILE 4 Ca 0.00 -1.10 -0.21 0.00 -0.99 0.00 0.00 60.65 58.36 2i2u s ILE 4 Cb 0.00 -1.49 -0.10 0.00 2.95 0.00 0.00 42.46 43.82 2i2u s ILE 4 CO 0.00 -0.42 0.59 0.54 -1.79 0.00 0.00 174.94 173.87 2i2u n ARG 5 N 4.87 0.00 -5.19 0.37 5.12 -1.26 -4.95 116.66 115.63 2i2u n ARG 5 Ca -0.06 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.56 2i2u n ARG 5 Cb 0.44 -0.74 -0.16 0.00 -1.16 0.00 0.00 32.46 30.84 2i2u n ARG 5 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2i2u s THR 6 N 0.37 1.91 -0.15 0.55 2.01 -1.26 -4.64 115.64 114.44 2i2u s THR 6 Ca 0.46 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.46 2i2u s THR 6 Cb -0.65 -1.61 0.02 0.00 0.01 0.00 0.00 72.50 70.27 2i2u s THR 6 CO 0.31 0.54 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.86 2i2u s LEU 7 N -0.32 1.79 -0.78 4.42 2.01 -0.15 -4.98 118.68 120.67 2i2u s LEU 7 Ca 0.02 -0.51 -0.24 0.00 0.01 0.00 0.00 54.13 53.41 2i2u s LEU 7 Cb -0.11 -1.23 0.06 0.00 0.01 0.00 0.00 46.19 44.91 2i2u s LEU 7 CO 0.01 -0.03 1.20 -1.58 1.01 0.00 0.00 176.35 176.96 2i2u s GLN 8 N 1.36 3.27 0.45 1.70 2.00 -1.26 -1.35 119.66 125.83 2i2u s GLN 8 Ca 0.03 -0.72 0.05 0.00 -2.00 0.00 0.00 55.36 52.73 2i2u s GLN 8 Cb -0.13 -4.47 -0.04 0.00 0.80 0.00 0.00 33.01 29.16 2i2u s GLN 8 CO -0.10 -2.03 0.10 0.20 -0.50 0.00 0.00 175.29 172.97 2i2u s GLY 9 N 3.93 2.58 -0.08 2.59 0.00 -0.79 -4.73 107.32 110.82 2i2u s GLY 9 Ca 0.33 -1.64 -0.01 0.00 0.00 0.00 0.00 44.72 43.39 2i2u s GLY 9 CO 0.07 -2.05 0.01 0.50 0.00 0.00 0.00 173.10 171.62 2i2u s ARG 10 N -3.87 0.56 0.71 2.90 0.52 -0.75 -1.62 118.95 117.39 2i2u s ARG 10 Ca 0.29 0.10 -0.17 0.00 -0.52 0.00 0.00 55.73 55.43 2i2u s ARG 10 Cb 0.05 -1.00 -0.13 0.00 0.52 0.00 0.00 34.95 34.39 2i2u s ARG 10 CO 0.16 -0.32 -0.26 0.28 0.02 0.00 0.00 175.30 175.18 2i2u n VAL 11 N 5.16 0.26 -2.00 3.52 0.31 -1.24 -2.47 118.33 121.87 2i2u n VAL 11 Ca -0.07 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 2i2u n VAL 11 Cb 0.50 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 2i2u n VAL 11 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2i2u n VAL 12 N -2.00 0.00 -3.07 2.52 3.14 -0.72 -3.33 118.33 114.87 2i2u n VAL 12 Ca 0.05 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.46 2i2u n VAL 12 Cb 0.51 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.29 2i2u n VAL 12 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2i2u s SER 13 N -0.00 -1.00 -0.76 6.55 0.15 -1.19 -4.90 113.70 112.55 2i2u s SER 13 Ca 0.00 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.44 2i2u s SER 13 Cb 0.00 1.43 0.19 0.00 -1.71 0.00 0.00 66.02 65.93 2i2u s SER 13 CO 0.00 -0.14 0.59 -0.62 1.20 0.00 0.00 173.24 174.26 2i2u s ASP 14 N 2.35 5.35 0.21 5.45 3.68 -1.26 -3.09 116.67 129.36 2i2u s ASP 14 Ca 0.17 -3.57 0.00 0.00 2.13 0.00 0.00 52.55 51.28 2i2u s ASP 14 Cb -0.03 -1.79 0.00 0.00 -1.45 0.00 0.00 42.92 39.65 2i2u s ASP 14 CO -0.17 -0.18 0.00 1.17 0.13 0.00 0.00 175.17 176.12 2i2u n LYS 15 N 2.46 0.00 -1.68 4.34 3.00 -1.26 -4.93 118.16 120.08 2i2u n LYS 15 Ca 0.17 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 58.04 2i2u n LYS 15 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.37 2i2u n LYS 15 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2i2u n MET 16 N -3.18 2.13 -2.39 1.64 0.00 -1.25 -4.93 117.12 109.14 2i2u n MET 16 Ca 0.00 0.76 -0.41 0.00 0.00 0.00 0.00 57.70 58.05 2i2u n MET 16 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 33.22 30.75 2i2u n MET 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 2i2u s GLU 17 N -0.46 4.54 -0.83 0.03 2.12 -1.26 -2.46 118.70 120.38 2i2u s GLU 17 Ca 0.67 1.89 0.00 0.00 0.36 0.00 0.00 54.97 57.89 2i2u s GLU 17 Cb -0.62 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 30.57 2i2u s GLU 17 CO 0.50 0.04 0.00 1.63 -0.54 0.00 0.00 175.26 176.89 2i2u n LYS 18 N 1.64 -1.77 -3.82 4.30 4.76 -1.24 -4.92 118.16 117.10 2i2u n LYS 18 Ca 0.01 0.74 -0.16 0.00 -2.87 0.00 0.00 58.31 56.03 2i2u n LYS 18 Cb 0.44 -5.11 -0.16 0.00 -1.84 0.00 0.00 35.03 28.36 2i2u n LYS 18 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2i2u s SER 19 N -2.19 0.26 -0.06 4.39 0.01 -1.03 -2.51 113.70 112.57 2i2u s SER 19 Ca 0.00 0.02 -0.03 0.00 1.31 0.00 0.00 55.95 57.25 2i2u s SER 19 Cb 0.00 -0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.14 2i2u s SER 19 CO 0.00 -0.12 0.13 -0.51 0.41 0.00 0.00 173.24 173.15 2i2u s ILE 20 N 1.11 -0.11 -0.13 1.44 1.10 0.11 -3.95 121.20 120.76 2i2u s ILE 20 Ca -0.09 0.25 -0.22 0.00 -0.51 0.00 0.00 60.65 60.08 2i2u s ILE 20 Cb -0.13 -0.23 -0.03 0.00 0.15 0.00 0.00 42.46 42.21 2i2u s ILE 20 CO -0.03 0.10 0.67 -0.69 -2.11 0.00 0.00 174.94 172.89 2i2u s VAL 21 N 1.53 5.03 0.17 4.00 1.01 -1.18 -0.05 120.40 130.90 2i2u s VAL 21 Ca -0.05 1.33 0.08 0.00 0.00 0.00 0.00 61.98 63.35 2i2u s VAL 21 Cb -0.12 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2i2u s VAL 21 CO -0.05 0.18 -0.08 -0.69 0.00 0.00 0.00 175.10 174.45 2i2u s VAL 22 N 1.38 3.29 -0.11 2.92 1.01 0.79 -1.75 120.40 127.92 2i2u s VAL 22 Ca 0.33 -1.56 0.04 0.00 0.00 0.00 0.00 61.98 60.79 2i2u s VAL 22 Cb -0.17 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.60 2i2u s VAL 22 CO 0.14 -0.07 -0.23 0.00 0.00 0.00 0.00 175.10 174.93 2i2u s ALA 23 N -1.62 2.18 -0.41 5.51 0.00 -1.03 0.48 121.76 126.87 2i2u s ALA 23 Ca 0.25 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.24 2i2u s ALA 23 Cb -0.09 -0.86 0.12 0.00 0.00 0.00 0.00 23.12 22.29 2i2u s ALA 23 CO 0.15 0.20 0.17 0.42 0.00 0.00 0.00 175.76 176.71 2i2u s ILE 24 N 0.47 1.90 0.06 0.00 1.09 -0.56 -1.81 121.20 122.34 2i2u s ILE 24 Ca -0.16 -2.53 -0.28 0.00 -1.10 0.00 0.00 60.65 56.58 2i2u s ILE 24 Cb -0.17 -2.36 -0.05 0.00 -1.06 0.00 0.00 42.46 38.81 2i2u s ILE 24 CO 0.06 -0.75 0.89 -1.83 -0.10 0.00 0.00 174.94 173.21 2i2u s GLU 25 N 0.53 4.59 0.20 2.79 -1.05 -1.26 -2.38 118.70 122.12 2i2u s GLU 25 Ca 0.14 1.29 0.11 0.00 -0.15 0.00 0.00 54.97 56.36 2i2u s GLU 25 Cb -0.22 -3.39 -0.04 0.00 -0.44 0.00 0.00 34.13 30.03 2i2u s GLU 25 CO -0.06 0.17 -0.22 -0.98 0.95 0.00 0.00 175.26 175.11 2i2u s ARG 26 N 0.24 1.49 -0.59 -4.83 1.70 -0.39 -4.90 118.95 111.68 2i2u s ARG 26 Ca 0.45 -1.54 -0.27 0.00 -0.47 0.00 0.00 55.73 53.90 2i2u s ARG 26 Cb -0.22 -1.73 -0.01 0.00 -0.57 0.00 0.00 34.95 32.42 2i2u s ARG 26 CO 0.27 0.36 1.69 -0.06 -1.08 0.00 0.00 175.30 176.48 2i2u s PHE 27 N -1.87 1.88 -0.13 5.89 0.40 -1.26 -1.64 117.98 121.24 2i2u s PHE 27 Ca 0.21 0.60 -0.13 0.00 -0.60 0.00 0.00 56.93 57.02 2i2u s PHE 27 Cb -0.07 -4.22 -0.05 0.00 0.51 0.00 0.00 43.02 39.19 2i2u s PHE 27 CO 0.10 -2.28 0.28 0.54 0.70 0.00 0.00 175.22 174.55 2i2u s VAL 28 N 7.84 5.30 0.06 -0.44 0.11 0.36 -4.90 120.40 128.73 2i2u s VAL 28 Ca 0.61 0.52 0.01 0.00 -2.93 0.00 0.00 61.98 60.19 2i2u s VAL 28 Cb -0.13 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.09 2i2u s VAL 28 CO 0.22 0.46 0.17 -0.75 -3.33 0.00 0.00 175.10 171.87 2i2u s LYS 29 N 0.00 3.28 -0.14 1.54 2.20 -1.26 -0.45 119.74 124.92 2i2u s LYS 29 Ca 0.17 -0.51 -0.17 0.00 -0.36 0.00 0.00 55.97 55.10 2i2u s LYS 29 Cb -0.13 -2.95 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 2i2u s LYS 29 CO 0.05 0.60 0.41 -1.58 -0.36 0.00 0.00 175.35 174.47 2i2u s HIS 30 N -1.47 3.48 0.19 4.03 2.46 -1.23 -4.90 115.29 117.85 2i2u s HIS 30 Ca 0.33 0.77 0.35 0.00 0.47 0.00 0.00 55.06 56.98 2i2u s HIS 30 Cb -0.13 -2.48 1.55 0.00 -0.13 0.00 0.00 32.58 31.39 2i2u s HIS 30 CO 0.26 0.17 2.05 -1.00 -2.47 0.00 0.00 174.74 173.75 2i2u h PRO 31 N 6.78 0.00 0.00 2.88 0.13 -1.96 0.36 132.00 140.20 2i2u h PRO 31 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2i2u h PRO 31 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2i2u h PRO 31 CO 0.75 0.00 -0.13 1.51 -0.23 0.00 0.00 178.00 179.90 2i2u n ILE 32 N -3.06 0.00 -0.02 -3.56 3.06 -1.26 -4.78 119.36 109.73 2i2u n ILE 32 Ca -0.00 -0.34 -0.03 0.00 -2.50 0.00 0.00 62.75 59.88 2i2u n ILE 32 Cb 0.26 0.90 -0.03 0.00 0.54 0.00 0.00 39.64 41.31 2i2u n ILE 32 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 2i2u n TYR 33 N -0.87 0.00 0.00 9.51 4.02 -1.22 -5.01 117.16 123.58 2i2u n TYR 33 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2i2u n TYR 33 Cb 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 2i2u n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2i2u n GLY 34 N 2.93 1.75 3.40 2.72 0.00 0.13 -4.90 105.19 111.22 2i2u n GLY 34 Ca -0.08 -0.02 -0.58 0.00 0.00 0.00 0.00 46.02 45.34 2i2u n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2i2u n LYS 35 N 0.00 0.40 -1.80 1.61 3.00 -1.26 -3.49 118.16 116.63 2i2u n LYS 35 Ca 0.00 0.12 -0.37 0.00 -0.00 0.00 0.00 58.31 58.06 2i2u n LYS 35 Cb 0.00 -1.82 0.06 0.00 0.00 0.00 0.00 35.03 33.27 2i2u n LYS 35 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2i2u s PHE 36 N 5.85 2.14 0.26 5.64 0.08 -1.26 -3.84 117.98 126.84 2i2u s PHE 36 Ca 1.14 1.49 -0.16 0.00 0.12 0.00 0.00 56.93 59.51 2i2u s PHE 36 Cb -1.28 -3.66 0.01 0.00 -0.57 0.00 0.00 43.02 37.52 2i2u s PHE 36 CO 0.63 -2.80 0.57 0.96 -0.10 0.00 0.00 175.22 174.49 2i2u s ILE 37 N -1.43 0.00 -0.30 0.64 -4.36 0.41 -4.98 121.20 111.18 2i2u s ILE 37 Ca 0.82 -1.21 -0.18 0.00 -0.26 0.00 0.00 60.65 59.82 2i2u s ILE 37 Cb -0.36 -2.09 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 2i2u s ILE 37 CO 0.38 -0.01 0.50 -0.54 0.24 0.00 0.00 174.94 175.52 2i2u s LYS 38 N -3.97 3.87 -0.37 0.37 3.01 -1.26 -0.49 119.74 120.90 2i2u s LYS 38 Ca 0.17 0.08 0.04 0.00 -1.01 0.00 0.00 55.97 55.26 2i2u s LYS 38 Cb -0.03 -3.72 0.10 0.00 -1.01 0.00 0.00 37.83 33.18 2i2u s LYS 38 CO 0.08 -0.48 0.08 0.50 0.51 0.00 0.00 175.35 176.04 2i2u s ARG 39 N 2.33 1.55 1.02 1.68 6.06 -0.65 -4.94 118.95 126.00 2i2u s ARG 39 Ca 0.20 -1.99 -0.13 0.00 -2.50 0.00 0.00 55.73 51.31 2i2u s ARG 39 Cb -0.15 -3.22 0.20 0.00 0.06 0.00 0.00 34.95 31.83 2i2u s ARG 39 CO 0.11 -0.97 1.10 0.99 -2.50 0.00 0.00 175.30 174.03 2i2u s THR 40 N 0.72 1.99 -0.29 4.11 2.01 -1.26 -1.26 115.64 121.65 2i2u s THR 40 Ca 0.12 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.18 2i2u s THR 40 Cb -0.20 -2.50 0.20 0.00 0.01 0.00 0.00 72.50 70.01 2i2u s THR 40 CO -0.07 0.00 0.59 -0.89 -0.69 0.00 0.00 174.62 173.56 2i2u s THR 41 N -2.98 -0.99 0.30 -0.82 2.01 -1.00 -4.84 115.64 107.31 2i2u s THR 41 Ca 0.66 -0.01 -0.28 0.00 0.31 0.00 0.00 61.69 62.38 2i2u s THR 41 Cb -0.18 -0.97 -0.09 0.00 0.01 0.00 0.00 72.50 71.26 2i2u s THR 41 CO 0.57 -0.01 0.97 -0.54 -0.69 0.00 0.00 174.62 174.93 2i2u s LYS 42 N 2.79 4.65 0.13 4.92 1.02 -1.26 -1.50 119.74 130.50 2i2u s LYS 42 Ca 0.10 1.44 0.01 0.00 0.02 0.00 0.00 55.97 57.54 2i2u s LYS 42 Cb -0.10 -2.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 2i2u s LYS 42 CO -0.25 0.32 -0.00 -0.51 -0.92 0.00 0.00 175.35 173.99 2i2u s LEU 43 N -1.74 2.15 -0.44 3.17 1.02 0.18 -4.97 118.68 118.04 2i2u s LEU 43 Ca 0.47 -1.13 -0.04 0.00 0.02 0.00 0.00 54.13 53.45 2i2u s LEU 43 Cb -0.23 0.06 0.12 0.00 0.02 0.00 0.00 46.19 46.16 2i2u s LEU 43 CO 0.29 -0.59 0.25 -1.00 0.02 0.00 0.00 176.35 175.31 2i2u s HIS 44 N -3.78 3.55 0.15 0.29 3.76 -1.26 -0.15 115.29 117.86 2i2u s HIS 44 Ca 0.20 -2.40 -0.05 0.00 -0.15 0.00 0.00 55.06 52.66 2i2u s HIS 44 Cb 0.06 -3.25 -0.06 0.00 1.11 0.00 0.00 32.58 30.44 2i2u s HIS 44 CO 0.00 -0.96 0.39 0.08 -0.85 0.00 0.00 174.74 173.40 2i2u s VAL 45 N 1.02 5.15 -0.26 -0.90 1.01 0.92 -3.66 120.40 123.68 2i2u s VAL 45 Ca 0.09 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 2i2u s VAL 45 Cb -0.23 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2i2u s VAL 45 CO -0.04 0.01 0.15 -2.28 0.00 0.00 0.00 175.10 172.94 2i2u s HIS 46 N -1.69 3.21 -0.27 5.22 5.65 0.75 0.08 115.29 128.24 2i2u s HIS 46 Ca 0.41 0.00 0.02 0.00 0.25 0.00 0.00 55.06 55.75 2i2u s HIS 46 Cb -0.12 -2.30 0.07 0.00 -1.18 0.00 0.00 32.58 29.05 2i2u s HIS 46 CO 0.25 -0.14 -0.04 0.34 -0.65 0.00 0.00 174.74 174.50 2i2u s ASP 47 N 1.48 4.21 0.00 9.88 3.68 -1.04 -3.27 116.67 131.61 2i2u s ASP 47 Ca 0.07 -1.46 0.00 0.00 2.13 0.00 0.00 52.55 53.29 2i2u s ASP 47 Cb -0.15 -1.35 0.00 0.00 -1.45 0.00 0.00 42.92 39.97 2i2u s ASP 47 CO 0.07 -0.26 0.48 -0.62 0.13 0.00 0.00 175.17 174.97 2i2u n GLU 48 N 4.54 0.00 0.00 4.34 -0.58 -1.26 -2.05 120.64 125.63 2i2u n GLU 48 Ca -0.09 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 2i2u n GLU 48 Cb 0.43 -0.98 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 2i2u n GLU 48 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2i2u n ASN 49 N -0.76 0.14 -3.07 1.62 3.02 -1.26 -4.38 115.26 110.58 2i2u n ASN 49 Ca 0.00 -1.04 -0.13 0.00 -0.03 0.00 0.00 54.58 53.38 2i2u n ASN 49 Cb 0.00 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.08 2i2u n ASN 49 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2i2u n ASN 50 N -0.30 -1.55 -1.79 6.41 6.94 -0.87 -4.70 115.26 119.41 2i2u n ASN 50 Ca 0.00 -0.01 -0.00 0.00 -0.02 0.00 0.00 54.58 54.54 2i2u n ASN 50 Cb 0.04 -1.42 -0.00 0.00 -2.36 0.00 0.00 39.78 36.03 2i2u n ASN 50 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 2i2u n GLU 51 N -2.99 0.48 -0.37 -3.83 0.28 -1.26 -4.68 120.64 108.26 2i2u n GLU 51 Ca 0.02 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2i2u n GLU 51 Cb 0.50 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 32.08 2i2u n GLU 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2i2u s GLY 53 N -0.19 -0.16 0.20 0.00 0.00 -1.26 -5.06 107.32 100.86 2i2u s GLY 53 Ca 0.00 2.14 -0.33 0.00 0.00 0.00 0.00 44.72 46.53 2i2u s GLY 53 CO 0.00 0.87 1.61 4.51 0.00 0.00 0.00 173.10 180.09 2i2u n ILE 54 N 0.36 0.22 -0.79 0.90 3.06 -1.26 -0.90 119.36 120.95 2i2u n ILE 54 Ca -0.03 -0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.16 2i2u n ILE 54 Cb 0.58 -1.73 0.00 0.00 0.54 0.00 0.00 39.64 39.03 2i2u n ILE 54 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2i2u n GLY 55 N 3.33 1.05 3.55 4.50 0.00 -1.21 -4.81 105.19 111.60 2i2u n GLY 55 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2i2u n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i2u s ASP 56 N -2.93 6.01 0.18 1.61 -0.00 -0.07 -4.58 116.67 116.88 2i2u s ASP 56 Ca 0.00 -0.45 -0.33 0.00 -0.00 0.00 0.00 52.55 51.76 2i2u s ASP 56 Cb 0.00 -2.56 -0.14 0.00 -0.00 0.00 0.00 42.92 40.22 2i2u s ASP 56 CO 0.00 -1.92 1.41 0.52 -0.00 0.00 0.00 175.17 175.17 2i2u n VAL 57 N 6.65 0.51 -4.10 -1.27 0.31 -0.91 -3.70 118.33 115.83 2i2u n VAL 57 Ca 0.12 -0.13 -0.14 0.00 -0.01 0.00 0.00 64.34 64.18 2i2u n VAL 57 Cb 0.50 -1.29 -0.05 0.00 -0.91 0.00 0.00 33.84 32.08 2i2u n VAL 57 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2i2u s VAL 58 N 0.29 0.00 -0.10 2.52 -7.23 -0.64 -1.41 120.40 113.83 2i2u s VAL 58 Ca 0.75 -1.63 0.02 0.00 -1.81 0.00 0.00 61.98 59.30 2i2u s VAL 58 Cb -0.74 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 33.63 2i2u s VAL 58 CO 0.46 0.00 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.48 2i2u s GLU 59 N -3.31 3.06 0.28 4.82 2.02 -0.08 -1.88 118.70 123.62 2i2u s GLU 59 Ca 0.31 -0.73 0.04 0.00 0.02 0.00 0.00 54.97 54.60 2i2u s GLU 59 Cb 0.00 -2.48 -0.06 0.00 0.10 0.00 0.00 34.13 31.69 2i2u s GLU 59 CO 0.18 0.32 0.02 0.96 0.02 0.00 0.00 175.26 176.76 2i2u s ILE 60 N 0.05 1.20 0.02 -1.63 -4.36 -0.46 -1.93 121.20 114.10 2i2u s ILE 60 Ca -0.06 -2.04 -0.09 0.00 -0.26 0.00 0.00 60.65 58.21 2i2u s ILE 60 Cb -0.15 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 40.99 2i2u s ILE 60 CO 0.05 -0.17 0.17 0.00 0.24 0.00 0.00 174.94 175.23 2i2u s ARG 61 N -3.86 0.60 1.26 0.37 1.70 -1.00 -0.97 118.95 117.06 2i2u s ARG 61 Ca 0.33 -0.53 -0.21 0.00 -0.47 0.00 0.00 55.73 54.85 2i2u s ARG 61 Cb 0.07 0.25 0.31 0.00 -0.57 0.00 0.00 34.95 35.01 2i2u s ARG 61 CO 0.12 -0.16 1.09 -2.00 -1.08 0.00 0.00 175.30 173.27 2i2u s GLU 62 N -2.05 -1.72 0.00 3.89 2.12 -1.26 -1.43 118.70 118.24 2i2u s GLU 62 Ca -0.09 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.10 2i2u s GLU 62 Cb -0.04 -1.54 0.00 0.00 0.26 0.00 0.00 34.13 32.81 2i2u s GLU 62 CO -0.01 -4.03 0.00 0.00 -0.54 0.00 0.00 175.26 170.68 2i2u s ARG 64 N -0.65 4.24 -1.00 0.00 3.52 -1.26 -4.63 118.95 119.17 2i2u s ARG 64 Ca 0.00 2.32 -0.24 0.00 -0.13 0.00 0.00 55.73 57.68 2i2u s ARG 64 Cb 0.00 -3.15 -0.15 0.00 -1.56 0.00 0.00 34.95 30.10 2i2u s ARG 64 CO 0.00 -0.53 1.93 -0.35 -0.81 0.00 0.00 175.30 175.55 2i2u n PRO 65 N 3.38 1.25 -0.57 5.12 -0.04 -1.26 -4.69 135.00 138.19 2i2u n PRO 65 Ca 0.11 -2.12 -0.11 0.00 -0.04 0.00 0.00 63.50 61.34 2i2u n PRO 65 Cb 0.39 -3.50 0.06 0.00 -0.04 0.00 0.00 33.50 30.42 2i2u n PRO 65 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2i2u n LEU 66 N 13.35 4.89 0.00 1.53 -0.00 -1.23 -4.72 117.00 130.82 2i2u n LEU 66 Ca 0.46 -2.52 0.00 0.00 -0.00 0.00 0.00 56.01 53.94 2i2u n LEU 66 Cb 0.45 -0.73 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 2i2u n LEU 66 CO 0.78 0.82 0.00 -0.24 -0.00 0.00 0.00 177.39 178.76 2i2u n SER 67 N 0.00 0.00 -4.46 1.45 2.88 -1.12 -5.03 113.62 107.33 2i2u n SER 67 Ca 0.24 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 57.30 2i2u n SER 67 Cb 0.88 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.31 2i2u n SER 67 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2i2u n LYS 68 N 0.00 0.38 0.00 -1.46 4.81 -1.26 0.10 118.16 120.73 2i2u n LYS 68 Ca 0.00 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 2i2u n LYS 68 Cb 0.00 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 33.76 2i2u n LYS 68 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2i2u n THR 69 N 0.26 0.00 -3.55 3.15 -2.24 -1.26 -4.84 114.28 105.80 2i2u n THR 69 Ca 0.16 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.53 2i2u n THR 69 Cb 0.25 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.37 2i2u n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2i2u s LYS 70 N 0.00 3.00 -0.01 -0.78 2.20 0.28 -4.35 119.74 120.08 2i2u s LYS 70 Ca 0.00 -0.97 0.07 0.00 -0.36 0.00 0.00 55.97 54.71 2i2u s LYS 70 Cb 0.00 -3.80 0.12 0.00 -1.51 0.00 0.00 37.83 32.64 2i2u s LYS 70 CO 0.00 -0.66 1.05 0.45 -0.36 0.00 0.00 175.35 175.83 2i2u n SER 71 N 5.06 0.41 -4.22 1.43 2.88 -1.24 -2.81 113.62 115.12 2i2u n SER 71 Ca -0.12 -2.11 -0.17 0.00 -1.33 0.00 0.00 58.87 55.14 2i2u n SER 71 Cb 0.47 -0.24 -0.11 0.00 -0.75 0.00 0.00 64.21 63.58 2i2u n SER 71 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2i2u s TRP 72 N -0.25 1.32 0.27 0.66 0.52 -1.25 -0.30 118.94 119.91 2i2u s TRP 72 Ca 0.10 -0.57 0.03 0.00 0.02 0.00 0.00 56.10 55.69 2i2u s TRP 72 Cb 0.11 -0.70 -0.06 0.00 -1.15 0.00 0.00 33.47 31.68 2i2u s TRP 72 CO -0.04 0.11 0.05 0.95 0.02 0.00 0.00 176.95 178.04 2i2u s THR 73 N -2.13 0.93 -0.05 2.01 -4.23 -0.52 -0.18 115.64 111.47 2i2u s THR 73 Ca 0.07 -2.01 -0.27 0.00 -1.18 0.00 0.00 61.69 58.30 2i2u s THR 73 Cb -0.05 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 2i2u s THR 73 CO 0.02 -0.12 0.86 -0.22 -0.54 0.00 0.00 174.62 174.62 2i2u s LEU 74 N -3.36 4.32 -0.14 4.79 1.98 -1.20 -2.36 118.68 122.70 2i2u s LEU 74 Ca 0.34 1.42 0.17 0.00 -2.89 0.00 0.00 54.13 53.16 2i2u s LEU 74 Cb 0.07 -3.34 -0.24 0.00 0.66 0.00 0.00 46.19 43.34 2i2u s LEU 74 CO 0.12 -0.23 0.14 1.33 -1.89 0.00 0.00 176.35 175.83 2i2u n VAL 75 N 3.98 0.93 -3.64 1.68 0.24 -0.81 -4.92 118.33 115.78 2i2u n VAL 75 Ca 0.03 -0.68 -0.02 0.00 -2.04 0.00 0.00 64.34 61.64 2i2u n VAL 75 Cb 0.51 -0.39 -0.04 0.00 -1.47 0.00 0.00 33.84 32.45 2i2u n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2i2u s ARG 76 N -2.64 0.04 -0.30 7.34 1.70 -1.05 -5.02 118.95 119.04 2i2u s ARG 76 Ca -0.08 0.01 -0.09 0.00 -0.47 0.00 0.00 55.73 55.09 2i2u s ARG 76 Cb 0.07 0.02 -0.01 0.00 -0.57 0.00 0.00 34.95 34.46 2i2u s ARG 76 CO 0.74 -0.01 0.13 0.08 -1.08 0.00 0.00 175.30 175.16 2i2u s VAL 77 N -1.09 4.54 0.00 4.99 1.01 -1.26 -0.90 120.40 127.69 2i2u s VAL 77 Ca 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2i2u s VAL 77 Cb -0.01 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2i2u s VAL 77 CO -0.08 0.13 0.00 0.52 0.00 0.00 0.00 175.10 175.68 2i2u n VAL 78 N 4.97 0.00 -1.77 2.92 0.31 -0.81 -4.80 118.33 119.15 2i2u n VAL 78 Ca -0.14 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.78 2i2u n VAL 78 Cb 0.50 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.40 2i2u n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2i2u s GLU 79 N 0.18 2.87 -0.98 5.55 2.02 -0.50 -4.86 118.70 122.99 2i2u s GLU 79 Ca 0.00 1.50 -0.20 0.00 0.02 0.00 0.00 54.97 56.29 2i2u s GLU 79 Cb 0.00 -4.37 -0.10 0.00 0.10 0.00 0.00 34.13 29.76 2i2u s GLU 79 CO 0.00 -2.40 1.99 0.36 0.02 0.00 0.00 175.26 175.23 2i2u n LYS 80 N 8.79 1.88 0.00 1.61 -0.00 -1.26 -2.14 118.16 127.03 2i2u n LYS 80 Ca 0.28 -2.11 0.00 0.00 -0.00 0.00 0.00 58.31 56.48 2i2u n LYS 80 Cb 0.49 -3.08 0.00 0.00 -0.00 0.00 0.00 35.03 32.44 2i2u n LYS 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2i2u n ALA 81 N 7.63 0.00 0.86 0.58 0.00 -1.26 -4.99 120.51 123.32 2i2u n ALA 81 Ca 0.50 0.00 0.10 0.00 0.00 0.00 0.00 53.44 54.04 2i2u n ALA 81 Cb 0.41 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.94 2i2u n ALA 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05