#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a7y s HIS 2 N 0.00 0.81 0.03 1.12 3.76 -1.25 -4.36 115.29 115.39 2a7y s HIS 2 Ca 0.00 -1.12 0.01 0.00 -0.15 0.00 0.00 55.06 53.80 2a7y s HIS 2 Cb 0.00 -0.49 -0.02 0.00 1.11 0.00 0.00 32.58 33.18 2a7y s HIS 2 CO 0.00 -0.39 -0.04 0.00 -0.85 0.00 0.00 174.74 173.45 2a7y s ALA 3 N -3.91 0.24 0.02 -1.40 0.00 -1.26 -4.95 121.76 110.50 2a7y s ALA 3 Ca 0.17 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2a7y s ALA 3 Cb 0.07 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 2a7y s ALA 3 CO -0.02 -0.12 -0.04 0.21 0.00 0.00 0.00 175.76 175.79 2a7y s LYS 4 N -1.47 0.32 0.36 0.00 2.47 -1.26 -5.05 119.74 115.10 2a7y s LYS 4 Ca -0.14 -0.56 -0.24 0.00 -1.56 0.00 0.00 55.97 53.47 2a7y s LYS 4 Cb -0.10 -0.00 -0.10 0.00 -1.46 0.00 0.00 37.83 36.17 2a7y s LYS 4 CO -0.01 -0.02 0.94 0.54 0.16 0.00 0.00 175.35 176.97 2a7y s VAL 5 N -1.23 4.28 0.00 4.02 0.11 -1.26 -3.59 120.40 122.73 2a7y s VAL 5 Ca -0.12 1.70 0.00 0.00 -2.93 0.00 0.00 61.98 60.63 2a7y s VAL 5 Cb -0.09 -3.87 0.00 0.00 -1.53 0.00 0.00 36.38 30.89 2a7y s VAL 5 CO -0.01 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.37 2a7y n GLY 6 N 0.17 0.77 3.04 6.54 0.00 -0.66 -5.03 105.19 110.03 2a7y n GLY 6 Ca 0.04 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 2a7y n GLY 6 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a7y n ASP 7 N 1.00 -0.38 -4.11 1.61 9.92 -1.24 -4.98 116.55 118.38 2a7y n ASP 7 Ca 0.00 -3.06 -0.15 0.00 -0.53 0.00 0.00 54.79 51.04 2a7y n ASP 7 Cb 0.04 1.48 -0.10 0.00 -0.64 0.00 0.00 41.12 41.91 2a7y n ASP 7 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2a7y s TYR 8 N -3.23 1.42 -0.01 1.24 1.51 -0.58 -0.65 117.35 117.05 2a7y s TYR 8 Ca 0.35 -1.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.06 2a7y s TYR 8 Cb 0.02 -0.73 0.01 0.00 -0.11 0.00 0.00 41.96 41.14 2a7y s TYR 8 CO 0.25 -0.55 -0.01 -1.17 -1.11 0.00 0.00 175.55 172.95 2a7y s LEU 9 N -3.27 1.76 0.08 -1.29 0.20 -0.46 -0.41 118.68 115.29 2a7y s LEU 9 Ca 0.38 -0.03 -0.01 0.00 0.69 0.00 0.00 54.13 55.17 2a7y s LEU 9 Cb 0.06 -0.12 -0.04 0.00 -0.43 0.00 0.00 46.19 45.66 2a7y s LEU 9 CO 0.15 -0.01 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.49 2a7y s VAL 10 N 0.26 0.28 0.12 1.68 1.01 -0.91 -2.11 120.40 120.72 2a7y s VAL 10 Ca -0.02 -1.85 -0.00 0.00 0.00 0.00 0.00 61.98 60.10 2a7y s VAL 10 Cb -0.04 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2a7y s VAL 10 CO -0.01 -0.85 0.02 0.68 0.00 0.00 0.00 175.10 174.94 2a7y s VAL 11 N -3.90 0.28 0.11 2.92 -7.23 0.46 -0.31 120.40 112.74 2a7y s VAL 11 Ca 0.12 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 58.41 2a7y s VAL 11 Cb 0.07 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2a7y s VAL 11 CO -0.06 -0.60 -0.08 -0.54 -0.31 0.00 0.00 175.10 173.50 2a7y s LYS 12 N -3.98 0.87 0.43 4.82 3.01 -1.18 -2.35 119.74 121.37 2a7y s LYS 12 Ca 0.20 -1.32 -0.02 0.00 -1.01 0.00 0.00 55.97 53.82 2a7y s LYS 12 Cb 0.07 -0.34 -0.02 0.00 -1.01 0.00 0.00 37.83 36.52 2a7y s LYS 12 CO -0.01 0.02 0.68 0.20 0.51 0.00 0.00 175.35 176.75 2a7y s GLY 13 N -2.94 1.46 0.17 -3.33 0.00 -1.26 -4.55 107.32 96.87 2a7y s GLY 13 Ca 0.11 -0.79 0.24 0.00 0.00 0.00 0.00 44.72 44.28 2a7y s GLY 13 CO -0.03 -0.65 1.72 2.41 0.00 0.00 0.00 173.10 176.55 2a7y n THR 14 N -2.06 0.67 1.95 0.90 -1.04 -1.26 -1.71 114.28 111.74 2a7y n THR 14 Ca -0.01 0.04 0.02 0.00 -2.04 0.00 0.00 64.05 62.06 2a7y n THR 14 Cb 0.56 -0.87 0.10 0.00 -1.82 0.00 0.00 70.33 68.31 2a7y n THR 14 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2a7y n THR 15 N -2.03 0.02 -1.86 12.58 -2.24 -1.26 -4.90 114.28 114.59 2a7y n THR 15 Ca 0.04 -0.02 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2a7y n THR 15 Cb 0.30 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 2a7y n THR 15 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2a7y n THR 16 N -0.51 -4.67 -4.03 4.28 -1.04 -0.69 -5.09 114.28 102.54 2a7y n THR 16 Ca 0.03 0.38 -0.25 0.00 -2.04 0.00 0.00 64.05 62.17 2a7y n THR 16 Cb 0.02 -4.87 -0.04 0.00 -1.82 0.00 0.00 70.33 63.62 2a7y n THR 16 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2a7y s GLU 17 N -0.97 3.14 0.00 -2.82 2.56 -1.18 -4.91 118.70 114.53 2a7y s GLU 17 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 54.97 54.21 2a7y s GLU 17 Cb -0.01 -2.77 0.00 0.00 2.00 0.00 0.00 34.13 33.35 2a7y s GLU 17 CO 0.22 0.48 0.00 0.54 -0.56 0.00 0.00 175.26 175.93 2a7y n ARG 18 N -0.65 0.00 -3.44 4.30 1.74 -1.26 -4.63 116.66 112.71 2a7y n ARG 18 Ca -0.08 0.22 -0.25 0.00 -0.77 0.00 0.00 57.85 56.97 2a7y n ARG 18 Cb 0.55 -0.70 -0.11 0.00 -1.02 0.00 0.00 32.46 31.18 2a7y n ARG 18 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2a7y s HIS 19 N -0.93 0.26 0.17 -1.55 3.76 -1.26 -4.84 115.29 110.89 2a7y s HIS 19 Ca 0.00 -1.13 0.11 0.00 -0.15 0.00 0.00 55.06 53.89 2a7y s HIS 19 Cb 0.00 -0.73 -0.04 0.00 1.11 0.00 0.00 32.58 32.92 2a7y s HIS 19 CO 0.00 -0.88 -0.23 -0.51 -0.85 0.00 0.00 174.74 172.27 2a7y s ASP 20 N 1.49 3.48 -0.19 1.40 1.11 -0.99 -4.01 116.67 118.96 2a7y s ASP 20 Ca 0.15 -0.80 -0.09 0.00 0.18 0.00 0.00 52.55 51.99 2a7y s ASP 20 Cb -0.19 -0.29 0.03 0.00 1.07 0.00 0.00 42.92 43.54 2a7y s ASP 20 CO -0.11 0.14 0.18 0.00 1.18 0.00 0.00 175.17 176.56 2a7y n GLN 21 N 0.43 -4.04 -3.82 8.23 3.00 -1.06 -0.40 117.38 119.73 2a7y n GLN 21 Ca -0.14 3.10 -0.17 0.00 -0.01 0.00 0.00 57.00 59.78 2a7y n GLN 21 Cb 0.55 -4.71 -0.17 0.00 0.00 0.00 0.00 30.24 25.92 2a7y n GLN 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2a7y s HIS 22 N -0.82 0.20 0.30 1.08 2.46 -1.21 -3.18 115.29 114.12 2a7y s HIS 22 Ca -0.20 0.08 0.07 0.00 0.47 0.00 0.00 55.06 55.47 2a7y s HIS 22 Cb 0.01 -0.40 -0.03 0.00 -0.13 0.00 0.00 32.58 32.04 2a7y s HIS 22 CO 0.71 -0.14 0.24 0.00 -2.47 0.00 0.00 174.74 173.09 2a7y n ALA 23 N 4.45 0.64 -3.69 1.58 0.00 -0.90 -3.65 120.51 118.94 2a7y n ALA 23 Ca -0.21 -1.75 -0.26 0.00 0.00 0.00 0.00 53.44 51.22 2a7y n ALA 23 Cb 0.50 1.40 -0.17 0.00 0.00 0.00 0.00 19.45 21.18 2a7y n ALA 23 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2a7y s GLU 24 N -3.22 0.39 -0.65 0.00 2.12 -0.55 -1.36 118.70 115.43 2a7y s GLU 24 Ca 0.35 -0.19 -0.27 0.00 0.36 0.00 0.00 54.97 55.22 2a7y s GLU 24 Cb 0.02 -1.79 0.03 0.00 0.26 0.00 0.00 34.13 32.65 2a7y s GLU 24 CO 0.24 -0.60 1.19 0.42 -0.54 0.00 0.00 175.26 175.98 2a7y s ILE 25 N 1.99 3.94 -0.90 -3.70 1.01 0.18 -0.40 121.20 123.32 2a7y s ILE 25 Ca 0.01 0.55 0.13 0.00 0.00 0.00 0.00 60.65 61.34 2a7y s ILE 25 Cb -0.16 -4.79 -0.08 0.00 0.01 0.00 0.00 42.46 37.44 2a7y s ILE 25 CO -0.08 -1.55 0.65 2.30 0.00 0.00 0.00 174.94 176.26 2a7y n ILE 26 N 6.45 0.00 -3.89 2.92 -6.64 -1.23 -1.65 119.36 115.33 2a7y n ILE 26 Ca 0.05 -0.27 -0.14 0.00 -1.77 0.00 0.00 62.75 60.62 2a7y n ILE 26 Cb 0.49 1.07 -0.15 0.00 -1.44 0.00 0.00 39.64 39.61 2a7y n ILE 26 CO 0.00 0.00 0.00 -0.70 -1.77 0.00 0.00 176.55 174.08 2a7y s GLU 27 N -1.97 0.08 -0.30 6.28 2.56 -0.34 -4.93 118.70 120.09 2a7y s GLU 27 Ca 0.08 0.03 -0.03 0.00 0.00 0.00 0.00 54.97 55.05 2a7y s GLU 27 Cb 0.10 -0.18 0.10 0.00 2.00 0.00 0.00 34.13 36.16 2a7y s GLU 27 CO 0.44 -0.05 0.12 0.08 -0.56 0.00 0.00 175.26 175.30 2a7y s VAL 28 N 0.38 0.17 -0.91 3.70 1.01 -1.26 -2.40 120.40 121.10 2a7y s VAL 28 Ca -0.03 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 2a7y s VAL 28 Cb -0.05 -1.15 0.23 0.00 0.00 0.00 0.00 36.38 35.40 2a7y s VAL 28 CO -0.01 -0.72 0.83 -0.60 0.00 0.00 0.00 175.10 174.60 2a7y s ARG 29 N 1.96 3.53 -0.25 2.72 3.52 -1.26 -4.97 118.95 124.20 2a7y s ARG 29 Ca 0.09 -2.97 -0.03 0.00 -0.13 0.00 0.00 55.73 52.70 2a7y s ARG 29 Cb -0.16 -4.21 0.14 0.00 -1.56 0.00 0.00 34.95 29.15 2a7y s ARG 29 CO -0.33 -1.25 0.39 -1.12 -0.81 0.00 0.00 175.30 172.17 2a7y s SER 30 N 0.94 0.19 0.09 -2.12 0.01 -1.26 -4.72 113.70 106.84 2a7y s SER 30 Ca 0.25 0.23 0.23 0.00 1.31 0.00 0.00 55.95 57.97 2a7y s SER 30 Cb -0.11 1.15 0.03 0.00 0.21 0.00 0.00 66.02 67.31 2a7y s SER 30 CO -0.09 -0.30 1.01 0.00 0.41 0.00 0.00 173.24 174.27 2a7y n ALA 31 N 5.37 3.01 -0.05 1.44 0.00 -1.26 -4.35 120.51 124.67 2a7y n ALA 31 Ca -0.03 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.84 2a7y n ALA 31 Cb 0.50 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 18.81 2a7y n ALA 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2a7y n ASP 32 N -2.22 1.99 -0.03 0.00 9.92 -1.26 -5.01 116.55 119.93 2a7y n ASP 32 Ca 0.01 0.32 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 2a7y n ASP 32 Cb 0.48 -0.91 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 2a7y n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a7y n GLY 33 N 1.70 0.99 3.53 0.44 0.00 -1.26 -4.87 105.19 105.71 2a7y n GLY 33 Ca -0.33 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 2a7y n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a7y s SER 34 N -2.05 -0.11 0.92 1.61 0.01 -1.26 -3.94 113.70 108.88 2a7y s SER 34 Ca 0.00 -0.79 -0.12 0.00 1.31 0.00 0.00 55.95 56.36 2a7y s SER 34 Cb 0.00 0.56 0.09 0.00 0.21 0.00 0.00 66.02 66.87 2a7y s SER 34 CO 0.00 -1.07 0.78 -0.81 0.41 0.00 0.00 173.24 172.55 2a7y n PRO 35 N -0.34 -0.32 -2.07 12.44 -0.04 -1.26 -4.77 135.00 138.64 2a7y n PRO 35 Ca -0.05 -0.04 -0.29 0.00 -0.04 0.00 0.00 63.50 63.08 2a7y n PRO 35 Cb 0.62 -2.12 0.19 0.00 -0.04 0.00 0.00 33.50 32.15 2a7y n PRO 35 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2a7y s PRO 36 N -4.08 0.60 0.28 0.54 0.04 -1.26 -5.08 135.00 126.04 2a7y s PRO 36 Ca 0.62 -0.65 0.03 0.00 0.04 0.00 0.00 61.00 61.04 2a7y s PRO 36 Cb -0.23 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2a7y s PRO 36 CO 0.62 -2.38 0.20 0.71 0.04 0.00 0.00 177.00 176.19 2a7y s TYR 37 N -3.80 1.52 -0.05 0.56 2.02 -1.03 -4.59 117.35 111.97 2a7y s TYR 37 Ca 0.75 -1.49 -0.01 0.00 -0.37 0.00 0.00 57.07 55.95 2a7y s TYR 37 Cb -0.03 -0.71 0.03 0.00 -0.40 0.00 0.00 41.96 40.85 2a7y s TYR 37 CO 0.52 -0.69 0.02 0.08 -1.57 0.00 0.00 175.55 173.91 2a7y s VAL 38 N -3.72 0.16 0.30 0.71 1.01 -1.01 -2.29 120.40 115.56 2a7y s VAL 38 Ca 0.39 0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.63 2a7y s VAL 38 Cb 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 2a7y s VAL 38 CO 0.20 0.21 0.21 0.54 0.00 0.00 0.00 175.10 176.25 2a7y s VAL 39 N 1.82 0.09 -0.04 2.92 0.11 0.53 -1.19 120.40 124.64 2a7y s VAL 39 Ca 0.01 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 57.06 2a7y s VAL 39 Cb -0.12 -2.49 0.03 0.00 -1.53 0.00 0.00 36.38 32.26 2a7y s VAL 39 CO -0.04 0.00 0.03 -0.60 -3.33 0.00 0.00 175.10 171.16 2a7y s ARG 40 N -3.69 0.16 -0.47 1.54 3.52 0.46 -0.40 118.95 120.07 2a7y s ARG 40 Ca 0.38 0.22 -0.27 0.00 -0.13 0.00 0.00 55.73 55.93 2a7y s ARG 40 Cb 0.04 -0.55 -0.04 0.00 -1.56 0.00 0.00 34.95 32.83 2a7y s ARG 40 CO 0.21 -0.25 2.07 -1.58 -0.81 0.00 0.00 175.30 174.95 2a7y s TRP 41 N 1.67 1.44 0.00 5.12 0.23 0.46 -1.48 118.94 126.38 2a7y s TRP 41 Ca -0.01 1.00 0.00 0.00 -2.03 0.00 0.00 56.10 55.06 2a7y s TRP 41 Cb -0.13 -3.91 0.00 0.00 0.03 0.00 0.00 33.47 29.47 2a7y s TRP 41 CO -0.03 -2.70 0.02 1.47 0.96 0.00 0.00 176.95 176.67 2a7y n LEU 42 N 13.25 0.00 0.29 2.99 -0.00 -1.26 -0.18 117.00 132.08 2a7y n LEU 42 Ca 0.27 0.02 0.13 0.00 -0.00 0.00 0.00 56.01 56.44 2a7y n LEU 42 Cb 0.51 0.00 0.84 0.00 -0.00 0.00 0.00 43.42 44.77 2a7y n LEU 42 CO 0.70 0.00 1.10 -0.37 -0.00 0.00 0.00 177.39 178.82 2a7y h VAL 43 N 0.00 0.64 0.71 1.47 -1.51 -1.92 -2.20 116.25 113.45 2a7y h VAL 43 Ca 0.00 -0.05 -0.04 0.00 -1.23 0.00 0.00 66.70 65.38 2a7y h VAL 43 Cb 0.00 1.03 0.01 0.00 -2.13 0.00 0.00 31.29 30.20 2a7y h VAL 43 CO 0.00 0.01 -0.34 0.78 -1.23 0.00 0.00 177.57 176.79 2a7y h ASN 44 N 0.00 -0.81 0.00 4.19 2.35 -1.97 -3.49 115.58 115.85 2a7y h ASN 44 Ca -0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2a7y h ASN 44 Cb 0.03 0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2a7y h ASN 44 CO 0.00 -0.56 0.00 0.61 -1.65 0.00 0.00 177.43 175.83 2a7y n GLY 45 N -1.43 0.70 3.22 2.83 0.00 0.74 -5.11 105.19 106.16 2a7y n GLY 45 Ca -0.14 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 2a7y n GLY 45 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a7y s HIS 46 N -0.67 1.24 -0.02 1.61 3.76 -1.00 -5.00 115.29 115.22 2a7y s HIS 46 Ca 0.00 -1.36 0.01 0.00 -0.15 0.00 0.00 55.06 53.55 2a7y s HIS 46 Cb 0.00 -0.61 0.01 0.00 1.11 0.00 0.00 32.58 33.09 2a7y s HIS 46 CO 0.00 -0.61 -0.01 -1.21 -0.85 0.00 0.00 174.74 172.07 2a7y s GLU 47 N -4.12 0.21 0.31 1.40 8.01 -1.26 -0.40 118.70 122.86 2a7y s GLU 47 Ca 0.39 0.01 0.07 0.00 0.01 0.00 0.00 54.97 55.45 2a7y s GLU 47 Cb 0.07 -0.31 -0.03 0.00 -4.31 0.00 0.00 34.13 29.55 2a7y s GLU 47 CO 0.13 -0.05 0.25 -2.37 0.01 0.00 0.00 175.26 173.23 2a7y n THR 48 N 3.61 0.00 -3.67 3.63 5.66 0.47 -4.96 114.28 119.01 2a7y n THR 48 Ca -0.20 -2.24 -0.25 0.00 -3.05 0.00 0.00 64.05 58.31 2a7y n THR 48 Cb 0.54 1.10 -0.17 0.00 -1.55 0.00 0.00 70.33 70.25 2a7y n THR 48 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2a7y s THR 49 N -3.23 0.10 0.34 1.09 2.01 -1.26 -0.35 115.64 114.35 2a7y s THR 49 Ca 0.36 -0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.36 2a7y s THR 49 Cb 0.02 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 2a7y s THR 49 CO 0.25 -0.08 0.27 1.33 -0.69 0.00 0.00 174.62 175.70 2a7y n VAL 50 N 5.22 0.00 -3.68 3.82 0.24 -0.97 -4.98 118.33 117.99 2a7y n VAL 50 Ca -0.07 -2.46 -0.23 0.00 -2.04 0.00 0.00 64.34 59.55 2a7y n VAL 50 Cb 0.49 1.19 -0.18 0.00 -1.47 0.00 0.00 33.84 33.87 2a7y n VAL 50 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2a7y s TYR 51 N -3.34 0.26 0.01 6.34 1.51 -1.26 -2.48 117.35 118.40 2a7y s TYR 51 Ca 0.38 -0.04 -0.14 0.00 -1.01 0.00 0.00 57.07 56.26 2a7y s TYR 51 Cb 0.02 -0.63 -0.08 0.00 -0.11 0.00 0.00 41.96 41.17 2a7y s TYR 51 CO 0.27 -0.33 0.99 -1.00 -1.11 0.00 0.00 175.55 174.37 2a7y h PRO 52 N 8.40 -0.47 0.00 -1.71 0.13 -1.98 -3.50 132.00 132.87 2a7y h PRO 52 Ca -0.14 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2a7y h PRO 52 Cb 1.13 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2a7y h PRO 52 CO 0.22 -0.32 0.00 0.41 -0.23 0.00 0.00 178.00 178.08 2a7y n GLY 53 N -0.61 0.61 3.83 1.56 0.00 -1.26 -5.00 105.19 104.32 2a7y n GLY 53 Ca -0.06 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 2a7y n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a7y s SER 54 N -4.00 6.81 -0.97 1.61 0.01 -1.26 -4.12 113.70 111.78 2a7y s SER 54 Ca 0.00 1.57 -0.12 0.00 1.31 0.00 0.00 55.95 58.71 2a7y s SER 54 Cb 0.00 -2.50 -0.00 0.00 0.21 0.00 0.00 66.02 63.73 2a7y s SER 54 CO 0.00 -0.40 0.72 -0.67 0.41 0.00 0.00 173.24 173.30 2a7y n ASP 55 N -0.88 -5.64 -4.72 2.44 -0.08 -1.26 -3.96 116.55 102.44 2a7y n ASP 55 Ca 0.06 -0.83 -0.41 0.00 -1.51 0.00 0.00 54.79 52.10 2a7y n ASP 55 Cb 0.54 -3.19 -0.04 0.00 2.34 0.00 0.00 41.12 40.76 2a7y n ASP 55 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2a7y s ALA 56 N -3.24 3.24 0.35 -1.67 0.00 -1.26 -3.09 121.76 116.09 2a7y s ALA 56 Ca 0.25 0.60 0.07 0.00 0.00 0.00 0.00 51.96 52.88 2a7y s ALA 56 Cb -0.10 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2a7y s ALA 56 CO 0.86 -0.10 0.27 0.28 0.00 0.00 0.00 175.76 177.07 2a7y n VAL 57 N 3.02 0.00 -4.04 0.00 0.31 0.58 -4.99 118.33 113.21 2a7y n VAL 57 Ca 0.03 -2.46 -0.10 0.00 -0.01 0.00 0.00 64.34 61.80 2a7y n VAL 57 Cb 0.49 1.18 -0.11 0.00 -0.91 0.00 0.00 33.84 34.50 2a7y n VAL 57 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2a7y s VAL 58 N -3.34 0.33 0.35 2.52 -7.23 -1.26 -2.15 120.40 109.63 2a7y s VAL 58 Ca 0.38 -1.20 0.07 0.00 -1.81 0.00 0.00 61.98 59.43 2a7y s VAL 58 Cb 0.02 -0.70 -0.03 0.00 0.56 0.00 0.00 36.38 36.23 2a7y s VAL 58 CO 0.27 -0.56 0.27 0.68 -0.31 0.00 0.00 175.10 175.44 2a7y s VAL 59 N -1.98 0.06 0.00 1.32 -7.23 0.46 -4.83 120.40 108.20 2a7y s VAL 59 Ca -0.08 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 2a7y s VAL 59 Cb -0.06 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.41 2a7y s VAL 59 CO -0.02 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.12 2a7y n THR 60 N -0.68 0.00 -0.08 5.32 -2.24 -1.26 -1.52 114.28 113.81 2a7y n THR 60 Ca 0.06 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.77 2a7y n THR 60 Cb 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 2a7y n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a7y h ALA 61 N 1.00 0.34 0.74 6.98 0.00 -1.98 -2.76 119.26 123.58 2a7y h ALA 61 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2a7y h ALA 61 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2a7y h ALA 61 CO 0.00 -0.32 -0.50 1.79 0.00 0.00 0.00 179.25 180.22 2a7y h THR 62 N 0.21 0.00 -0.03 0.00 1.35 -2.04 -2.02 112.91 110.37 2a7y h THR 62 Ca 0.14 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 66.01 2a7y h THR 62 Cb 0.13 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.55 2a7y h THR 62 CO -0.16 0.00 0.14 -0.33 -0.25 0.00 0.00 175.52 174.92 2a7y h GLU 63 N -1.18 0.00 -0.65 4.72 4.39 -1.97 -2.57 114.58 117.32 2a7y h GLU 63 Ca -0.10 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.65 2a7y h GLU 63 Cb 0.96 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.56 2a7y h GLU 63 CO 0.07 0.00 0.37 1.12 -1.16 0.00 0.00 179.01 179.41 2a7y h HIS 64 N 0.00 0.68 0.00 4.33 2.07 -1.05 -2.46 115.15 118.73 2a7y h HIS 64 Ca 0.02 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 2a7y h HIS 64 Cb 0.31 -0.21 0.00 0.00 2.57 0.00 0.00 27.41 30.07 2a7y h HIS 64 CO 0.00 0.35 0.00 0.00 -3.07 0.00 0.00 177.93 175.21 2a7y n ALA 65 N -2.34 -0.43 0.19 6.11 0.00 -0.97 -0.41 120.51 122.67 2a7y n ALA 65 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2a7y n ALA 65 Cb 0.14 0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.58 2a7y n ALA 65 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2a7y h GLU 66 N 0.00 -0.56 -0.24 0.00 -0.00 -1.76 -1.12 114.58 110.90 2a7y h GLU 66 Ca 0.00 0.04 0.07 0.00 -0.00 0.00 0.00 59.36 59.47 2a7y h GLU 66 Cb 0.00 0.13 -0.01 0.00 -0.00 0.00 0.00 28.75 28.87 2a7y h GLU 66 CO 0.00 -0.38 0.18 0.00 -0.00 0.00 0.00 179.01 178.82 2a7y h ALA 67 N 0.03 2.14 0.60 1.06 0.00 -1.55 -2.39 119.26 119.15 2a7y h ALA 67 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2a7y h ALA 67 Cb 0.53 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2a7y h ALA 67 CO -0.05 -0.30 -0.45 1.49 0.00 0.00 0.00 179.25 179.94 2a7y h GLU 68 N 0.00 -0.97 0.00 0.00 4.57 0.57 0.48 114.58 119.23 2a7y h GLU 68 Ca 0.11 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2a7y h GLU 68 Cb 0.47 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 2a7y h GLU 68 CO -0.00 -0.65 0.00 1.63 -1.18 0.00 0.00 179.01 178.81 2a7y n LYS 69 N -5.56 0.00 0.10 1.92 5.02 -0.93 -1.87 118.16 116.84 2a7y n LYS 69 Ca -0.13 0.45 -0.05 0.00 -2.02 0.00 0.00 58.31 56.57 2a7y n LYS 69 Cb 0.45 -1.37 -0.02 0.00 -0.02 0.00 0.00 35.03 34.07 2a7y n LYS 69 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2a7y h ARG 70 N 0.00 -0.27 -0.33 1.97 0.11 -1.56 -2.78 114.38 111.53 2a7y h ARG 70 Ca 0.00 0.02 0.03 0.00 0.10 0.00 0.00 59.98 60.13 2a7y h ARG 70 Cb 0.00 0.06 -0.03 0.00 1.11 0.00 0.00 29.97 31.11 2a7y h ARG 70 CO 0.00 -0.18 0.12 0.00 0.10 0.00 0.00 179.97 180.01 2a7y h ALA 71 N -1.70 0.38 -0.47 0.08 0.00 -1.06 -2.12 119.26 114.37 2a7y h ALA 71 Ca -0.02 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2a7y h ALA 71 Cb 0.22 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2a7y h ALA 71 CO 0.02 -0.28 0.23 0.00 0.00 0.00 0.00 179.25 179.23 2a7y h ALA 72 N 1.20 0.60 -0.29 0.00 0.00 -0.77 0.19 119.26 120.19 2a7y h ALA 72 Ca 0.14 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2a7y h ALA 72 Cb 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2a7y h ALA 72 CO -0.14 -0.12 0.22 0.00 0.00 0.00 0.00 179.25 179.21 2a7y h ALA 73 N 1.26 2.25 0.00 0.00 0.00 -1.13 -2.37 119.26 119.26 2a7y h ALA 73 Ca 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2a7y h ALA 73 Cb 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2a7y h ALA 73 CO -0.15 -0.37 -0.20 -0.09 0.00 0.00 0.00 179.25 178.44 2a7y h ARG 74 N 0.00 0.00 0.17 0.00 9.65 -0.58 -3.33 114.38 120.29 2a7y h ARG 74 Ca 0.14 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.01 2a7y h ARG 74 Cb 0.57 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 2a7y h ARG 74 CO -0.00 0.99 -0.18 0.00 2.80 0.00 0.00 179.97 183.58 2a7y h ALA 75 N -0.09 -0.88 -1.78 2.80 0.00 -0.31 -3.31 119.26 115.70 2a7y h ALA 75 Ca -0.06 -0.07 -0.69 0.00 0.00 0.00 0.00 54.91 54.10 2a7y h ALA 75 Cb 1.04 0.44 -0.35 0.00 0.00 0.00 0.00 17.79 18.92 2a7y h ALA 75 CO -0.03 -0.89 0.10 0.41 0.00 0.00 0.00 179.25 178.84 2a7y n GLY 76 N -1.20 5.85 0.10 0.00 0.00 -0.93 -4.65 105.19 104.37 2a7y n GLY 76 Ca -0.04 -2.69 -0.02 0.00 0.00 0.00 0.00 46.02 43.27 2a7y n GLY 76 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2a7y h HIS 77 N 3.46 0.00 -2.79 1.61 -0.00 -1.67 -3.43 115.15 112.33 2a7y h HIS 77 Ca 0.32 0.00 -0.47 0.00 -0.00 0.00 0.00 60.37 60.22 2a7y h HIS 77 Cb 0.43 0.00 -0.39 0.00 -0.00 0.00 0.00 27.41 27.44 2a7y h HIS 77 CO 1.06 0.71 -0.75 0.00 -0.00 0.00 0.00 177.93 178.95 2a7y s ALA 78 N -2.84 0.39 -0.41 6.11 0.00 -1.26 -5.05 121.76 118.70 2a7y s ALA 78 Ca 0.01 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.33 2a7y s ALA 78 Cb 0.09 -1.31 0.17 0.00 0.00 0.00 0.00 23.12 22.06 2a7y s ALA 78 CO 0.79 -1.48 0.36 0.00 0.00 0.00 0.00 175.76 175.43 2a7y s ALA 79 N 2.15 0.98 0.00 0.00 0.00 -1.26 -5.18 121.76 118.45 2a7y s ALA 79 Ca 0.07 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 49.87 2a7y s ALA 79 Cb -0.16 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.26 2a7y s ALA 79 CO -0.26 -2.02 0.00 0.25 0.00 0.00 0.00 175.76 173.73