#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 0.29 0.03 1.12 3.76 -1.26 -4.32 115.29 114.91 2a7y s HIS 2 Ca 0.00 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 2a7y s HIS 2 Cb 0.00 -0.19 -0.03 0.00 1.11 0.00 0.00 32.58 33.47 2a7y s HIS 2 CO 0.00 -0.13 -0.04 0.00 -0.85 0.00 0.00 174.74 173.72 2a7y s ALA 3 N -1.12 0.32 0.25 -1.40 0.00 -1.26 -4.72 121.76 113.84 2a7y s ALA 3 Ca -0.11 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.09 2a7y s ALA 3 Cb -0.08 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 2a7y s ALA 3 CO -0.01 -0.17 0.17 0.15 0.00 0.00 0.00 175.76 175.90 2a7y s LYS 4 N -2.01 1.40 0.09 0.00 1.02 -1.26 -4.56 119.74 114.42 2a7y s LYS 4 Ca -0.09 -1.77 -0.11 0.00 0.02 0.00 0.00 55.97 54.02 2a7y s LYS 4 Cb -0.06 0.20 -0.06 0.00 -0.52 0.00 0.00 37.83 37.39 2a7y s LYS 4 CO -0.02 -0.45 0.44 0.54 -0.92 0.00 0.00 175.35 174.93 2a7y s VAL 5 N -3.89 5.03 0.00 3.17 0.11 -1.26 -3.94 120.40 119.62 2a7y s VAL 5 Ca 0.39 0.57 0.00 0.00 -2.93 0.00 0.00 61.98 60.01 2a7y s VAL 5 Cb 0.06 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 2a7y s VAL 5 CO 0.17 0.29 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 2a7y n GLY 6 N 0.91 0.63 3.02 6.54 0.00 0.06 -5.01 105.19 111.34 2a7y n GLY 6 Ca -0.07 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.24 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 0.94 -0.41 -4.05 1.61 8.00 -1.25 -5.00 116.55 116.38 2a7y n ASP 7 Ca 0.00 -3.05 -0.16 0.00 0.71 0.00 0.00 54.79 52.28 2a7y n ASP 7 Cb 0.00 1.49 -0.10 0.00 -0.02 0.00 0.00 41.12 42.49 2a7y n ASP 7 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2a7y s TYR 8 N -3.23 1.48 0.01 1.24 1.51 -0.09 -0.42 117.35 117.85 2a7y s TYR 8 Ca 0.35 -1.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.05 2a7y s TYR 8 Cb 0.02 -0.77 -0.01 0.00 -0.11 0.00 0.00 41.96 41.09 2a7y s TYR 8 CO 0.25 -0.55 -0.03 -1.17 -1.11 0.00 0.00 175.55 172.94 2a7y s LEU 9 N -3.30 2.07 0.05 -1.29 0.20 -0.19 -0.40 118.68 115.81 2a7y s LEU 9 Ca 0.38 -0.17 0.00 0.00 0.69 0.00 0.00 54.13 55.03 2a7y s LEU 9 Cb 0.06 -0.07 -0.03 0.00 -0.43 0.00 0.00 46.19 45.72 2a7y s LEU 9 CO 0.16 -0.06 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.43 2a7y s VAL 10 N -0.43 0.29 -0.01 1.68 1.01 -0.72 -2.26 120.40 119.95 2a7y s VAL 10 Ca -0.03 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.53 2a7y s VAL 10 Cb -0.03 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.38 2a7y s VAL 10 CO -0.00 -0.73 -0.00 -0.69 0.00 0.00 0.00 175.10 173.68 2a7y s VAL 11 N -2.68 0.10 0.12 2.92 1.01 0.27 -0.73 120.40 121.41 2a7y s VAL 11 Ca -0.03 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.84 2a7y s VAL 11 Cb -0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 36.38 36.15 2a7y s VAL 11 CO -0.05 0.08 0.54 -0.54 0.00 0.00 0.00 175.10 175.13 2a7y s LYS 12 N 0.52 4.01 -0.20 2.72 1.02 -1.26 -1.60 119.74 124.95 2a7y s LYS 12 Ca -0.05 0.52 -0.19 0.00 0.02 0.00 0.00 55.97 56.27 2a7y s LYS 12 Cb -0.07 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 2a7y s LYS 12 CO -0.01 0.53 0.54 0.20 -0.92 0.00 0.00 175.35 175.69 2a7y s GLY 13 N -1.56 2.06 0.65 -3.33 0.00 -1.23 -4.69 107.32 99.22 2a7y s GLY 13 Ca 0.35 -0.38 0.43 0.00 0.00 0.00 0.00 44.72 45.12 2a7y s GLY 13 CO 0.19 1.13 2.31 -0.91 0.00 0.00 0.00 173.10 175.82 2a7y h THR 14 N 5.14 0.00 -0.01 0.90 1.35 -1.97 -1.08 112.91 117.24 2a7y h THR 14 Ca -0.33 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2a7y h THR 14 Cb 1.15 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2a7y h THR 14 CO 0.75 0.00 -0.07 0.35 -0.25 0.00 0.00 175.52 176.29 2a7y n THR 15 N -3.08 0.00 -3.79 6.82 -2.24 -1.26 -4.93 114.28 105.79 2a7y n THR 15 Ca -0.02 -0.46 -0.27 0.00 -2.27 0.00 0.00 64.05 61.02 2a7y n THR 15 Cb 0.11 1.15 -0.17 0.00 -2.10 0.00 0.00 70.33 69.32 2a7y n THR 15 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2a7y s THR 16 N -0.94 0.72 -1.18 4.28 -4.23 -0.41 -5.05 115.64 108.83 2a7y s THR 16 Ca 0.09 -0.54 -0.19 0.00 -1.18 0.00 0.00 61.69 59.86 2a7y s THR 16 Cb 0.07 -1.09 -0.03 0.00 1.34 0.00 0.00 72.50 72.79 2a7y s THR 16 CO 0.15 -0.07 1.96 -0.62 -0.54 0.00 0.00 174.62 175.51 2a7y n GLU 17 N 4.99 2.30 -3.84 3.99 1.02 -1.26 -3.57 120.64 124.28 2a7y n GLU 17 Ca -0.10 -2.54 -0.11 0.00 -0.02 0.00 0.00 57.16 54.39 2a7y n GLU 17 Cb 0.47 -3.34 -0.09 0.00 -0.02 0.00 0.00 31.44 28.46 2a7y n GLU 17 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2a7y s ARG 18 N 4.65 0.61 -0.72 3.49 6.06 -1.26 -5.09 118.95 126.68 2a7y s ARG 18 Ca 0.56 -0.45 -0.13 0.00 -2.50 0.00 0.00 55.73 53.21 2a7y s ARG 18 Cb 0.08 0.26 0.19 0.00 0.06 0.00 0.00 34.95 35.54 2a7y s ARG 18 CO 0.06 -0.16 0.65 -3.38 -2.50 0.00 0.00 175.30 169.97 2a7y s HIS 19 N -1.84 3.59 0.21 5.12 -3.43 -1.26 -3.79 115.29 113.88 2a7y s HIS 19 Ca -0.11 -1.88 0.01 0.00 -0.80 0.00 0.00 55.06 52.28 2a7y s HIS 19 Cb -0.05 -3.75 0.04 0.00 -1.43 0.00 0.00 32.58 27.40 2a7y s HIS 19 CO 0.00 -0.99 0.29 -0.25 -2.00 0.00 0.00 174.74 171.79 2a7y n ASP 20 N 4.29 0.48 -2.87 7.38 9.92 -0.62 -4.61 116.55 130.53 2a7y n ASP 20 Ca 0.05 -1.38 -0.00 0.00 -0.53 0.00 0.00 54.79 52.93 2a7y n ASP 20 Cb 0.44 -0.18 -0.00 0.00 -0.64 0.00 0.00 41.12 40.74 2a7y n ASP 20 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a7y n GLN 21 N -1.51 -2.53 -3.79 -1.24 6.02 -1.25 -0.56 117.38 112.52 2a7y n GLN 21 Ca 0.05 2.19 -0.18 0.00 -0.01 0.00 0.00 57.00 59.05 2a7y n GLN 21 Cb 0.18 -3.95 -0.17 0.00 1.02 0.00 0.00 30.24 27.32 2a7y n GLN 21 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2a7y s HIS 22 N -1.37 0.19 0.30 1.08 2.46 -1.23 -2.82 115.29 113.89 2a7y s HIS 22 Ca -0.01 0.10 0.07 0.00 0.47 0.00 0.00 55.06 55.68 2a7y s HIS 22 Cb 0.00 -0.42 -0.02 0.00 -0.13 0.00 0.00 32.58 32.00 2a7y s HIS 22 CO 0.53 -0.16 0.24 0.00 -2.47 0.00 0.00 174.74 172.89 2a7y n ALA 23 N 4.62 0.63 -3.72 1.58 0.00 -0.96 -4.36 120.51 118.30 2a7y n ALA 23 Ca -0.18 -1.72 -0.20 0.00 0.00 0.00 0.00 53.44 51.34 2a7y n ALA 23 Cb 0.50 1.38 -0.17 0.00 0.00 0.00 0.00 19.45 21.16 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 -3.20 0.36 -0.37 0.00 2.12 -0.77 -1.02 118.70 115.81 2a7y s GLU 24 Ca 0.34 0.15 -0.23 0.00 0.36 0.00 0.00 54.97 55.60 2a7y s GLU 24 Cb 0.02 -0.70 0.01 0.00 0.26 0.00 0.00 34.13 33.72 2a7y s GLU 24 CO 0.24 -0.24 0.76 0.42 -0.54 0.00 0.00 175.26 175.89 2a7y s ILE 25 N 1.66 4.75 -0.71 -3.70 1.01 0.44 -1.86 121.20 122.79 2a7y s ILE 25 Ca -0.01 0.77 0.11 0.00 0.00 0.00 0.00 60.65 61.52 2a7y s ILE 25 Cb -0.13 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 38.08 2a7y s ILE 25 CO -0.03 -0.45 0.54 2.30 0.00 0.00 0.00 174.94 177.30 2a7y n ILE 26 N 5.80 0.00 -3.81 2.92 -6.64 -1.21 -0.76 119.36 115.65 2a7y n ILE 26 Ca 0.02 -0.31 -0.17 0.00 -1.77 0.00 0.00 62.75 60.52 2a7y n ILE 26 Cb 0.48 1.06 -0.16 0.00 -1.44 0.00 0.00 39.64 39.57 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 -1.76 0.12 -0.17 6.28 -6.30 -0.68 -4.94 118.70 111.26 2a7y s GLU 27 Ca 0.06 0.17 -0.04 0.00 -2.50 0.00 0.00 54.97 52.66 2a7y s GLU 27 Cb 0.08 -0.42 0.06 0.00 0.00 0.00 0.00 34.13 33.85 2a7y s GLU 27 CO 0.36 -0.19 0.07 0.08 0.02 0.00 0.00 175.26 175.60 2a7y s VAL 28 N 1.28 0.10 0.08 3.70 1.01 -1.26 -2.40 120.40 122.91 2a7y s VAL 28 Ca -0.06 -0.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 2a7y s VAL 28 Cb -0.13 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.48 2a7y s VAL 28 CO -0.03 -0.21 1.50 0.03 0.00 0.00 0.00 175.10 176.39 2a7y h ARG 29 N 8.37 0.43 -2.52 2.72 2.47 -1.90 -3.45 114.38 120.50 2a7y h ARG 29 Ca -0.15 -0.15 -0.09 0.00 -1.26 0.00 0.00 59.98 58.33 2a7y h ARG 29 Cb 1.14 -0.03 -0.21 0.00 -1.65 0.00 0.00 29.97 29.21 2a7y h ARG 29 CO 0.29 0.62 -0.09 -1.12 0.56 0.00 0.00 179.97 180.24 2a7y s SER 30 N -5.96 -0.48 0.00 7.04 0.01 -1.26 -5.03 113.70 108.02 2a7y s SER 30 Ca -0.14 0.75 0.30 0.00 1.31 0.00 0.00 55.95 58.17 2a7y s SER 30 Cb 0.07 0.77 1.79 0.00 0.21 0.00 0.00 66.02 68.87 2a7y s SER 30 CO 0.75 -0.33 2.14 0.00 0.41 0.00 0.00 173.24 176.21 2a7y n ALA 31 N 2.05 2.65 0.19 1.44 0.00 -1.26 -3.02 120.51 122.57 2a7y n ALA 31 Ca -0.17 -0.19 0.06 0.00 0.00 0.00 0.00 53.44 53.15 2a7y n ALA 31 Cb 0.56 -1.49 0.37 0.00 0.00 0.00 0.00 19.45 18.90 2a7y n ALA 31 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2a7y h ASP 32 N 0.00 0.00 0.00 0.00 2.03 -1.89 -3.34 116.42 113.22 2a7y h ASP 32 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2a7y h ASP 32 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2a7y h ASP 32 CO 0.00 0.35 0.00 0.61 -1.03 0.00 0.00 179.24 179.17 2a7y n GLY 33 N 0.11 0.97 3.72 7.15 0.00 -1.17 -4.60 105.19 111.37 2a7y n GLY 33 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.97 6.83 1.24 1.61 0.01 -1.26 -4.95 113.70 115.21 2a7y s SER 34 Ca 0.00 2.34 -0.16 0.00 1.31 0.00 0.00 55.95 59.43 2a7y s SER 34 Cb 0.00 -2.59 0.30 0.00 0.21 0.00 0.00 66.02 63.95 2a7y s SER 34 CO 0.00 -0.64 1.01 -2.84 0.41 0.00 0.00 173.24 171.18 2a7y s PRO 35 N 0.95 -1.49 0.08 12.44 0.02 -1.26 -4.62 135.00 141.12 2a7y s PRO 35 Ca 0.64 0.49 -0.01 0.00 0.02 0.00 0.00 61.00 62.14 2a7y s PRO 35 Cb -0.37 -1.52 0.02 0.00 0.02 0.00 0.00 34.50 32.66 2a7y s PRO 35 CO 0.31 -4.01 0.10 -0.35 -0.33 0.00 0.00 177.00 172.72 2a7y n PRO 36 N -5.07 -0.42 -4.22 5.54 -0.04 -1.26 -5.04 135.00 124.48 2a7y n PRO 36 Ca 0.07 -0.15 -0.13 0.00 -0.04 0.00 0.00 63.50 63.25 2a7y n PRO 36 Cb 0.57 -0.11 -0.10 0.00 -0.04 0.00 0.00 33.50 33.82 2a7y n PRO 36 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2a7y s TYR 37 N -1.20 1.20 -0.21 0.54 2.02 -0.92 -4.50 117.35 114.29 2a7y s TYR 37 Ca 0.06 -1.29 -0.04 0.00 -0.37 0.00 0.00 57.07 55.43 2a7y s TYR 37 Cb -0.00 -0.64 0.07 0.00 -0.40 0.00 0.00 41.96 40.99 2a7y s TYR 37 CO 0.04 -0.52 0.08 0.08 -1.57 0.00 0.00 175.55 173.66 2a7y s VAL 38 N -4.02 0.17 0.32 0.71 1.01 -1.01 -2.11 120.40 115.47 2a7y s VAL 38 Ca 0.35 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.89 2a7y s VAL 38 Cb 0.07 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2a7y s VAL 38 CO 0.10 -0.38 0.24 0.54 0.00 0.00 0.00 175.10 175.60 2a7y s VAL 39 N 2.01 0.07 -0.02 2.92 0.11 -0.08 -1.68 120.40 123.73 2a7y s VAL 39 Ca 0.03 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.08 2a7y s VAL 39 Cb -0.16 -2.49 0.02 0.00 -1.53 0.00 0.00 36.38 32.22 2a7y s VAL 39 CO -0.16 0.00 0.00 -0.13 -3.33 0.00 0.00 175.10 171.49 2a7y s ARG 40 N -3.59 0.15 -1.42 1.54 0.52 -0.78 -0.41 118.95 114.96 2a7y s ARG 40 Ca 0.39 0.05 -0.07 0.00 -0.52 0.00 0.00 55.73 55.58 2a7y s ARG 40 Cb 0.03 -0.28 0.05 0.00 0.52 0.00 0.00 34.95 35.27 2a7y s ARG 40 CO 0.24 -0.08 2.56 0.91 0.02 0.00 0.00 175.30 178.95 2a7y n TRP 41 N 3.73 2.55 0.17 -0.53 7.02 -0.01 -1.85 117.44 128.51 2a7y n TRP 41 Ca -0.22 -2.91 -0.14 0.00 -1.02 0.00 0.00 57.50 53.21 2a7y n TRP 41 Cb 0.54 -2.05 -0.08 0.00 -2.42 0.00 0.00 31.31 27.30 2a7y n TRP 41 CO 0.00 0.00 0.00 1.37 -2.02 0.00 0.00 177.69 177.04 2a7y h LEU 42 N 6.05 -0.30 -1.59 -0.99 8.10 -1.90 -0.74 115.31 123.92 2a7y h LEU 42 Ca 0.76 -0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.74 2a7y h LEU 42 Cb 0.30 0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 40.58 2a7y h LEU 42 CO 1.58 -0.20 0.22 -0.37 -4.11 0.00 0.00 178.44 175.56 2a7y h VAL 43 N -0.37 1.11 -0.69 0.15 -1.51 -1.89 -0.11 116.25 112.93 2a7y h VAL 43 Ca -0.04 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 2a7y h VAL 43 Cb 0.29 0.58 -0.03 0.00 -2.13 0.00 0.00 31.29 30.00 2a7y h VAL 43 CO 0.06 0.11 0.44 0.78 -1.23 0.00 0.00 177.57 177.73 2a7y h ASN 44 N 0.51 0.81 0.00 4.19 2.35 -1.63 -3.47 115.58 118.34 2a7y h ASN 44 Ca 0.13 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2a7y h ASN 44 Cb -0.02 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.14 2a7y h ASN 44 CO -0.03 0.61 0.00 0.61 -1.65 0.00 0.00 177.43 176.98 2a7y n GLY 45 N -1.23 0.09 3.28 2.83 0.00 -0.05 -5.13 105.19 104.98 2a7y n GLY 45 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 2a7y n GLY 45 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2a7y s HIS 46 N -0.93 1.61 -0.00 1.61 5.04 -1.12 -4.99 115.29 116.51 2a7y s HIS 46 Ca 0.00 -1.55 0.01 0.00 -1.54 0.00 0.00 55.06 51.98 2a7y s HIS 46 Cb 0.00 -0.72 0.00 0.00 0.04 0.00 0.00 32.58 31.90 2a7y s HIS 46 CO 0.00 -0.75 -0.02 -1.21 -2.34 0.00 0.00 174.74 170.43 2a7y s GLU 47 N -3.67 0.16 0.33 2.88 8.01 -1.26 -0.83 118.70 124.31 2a7y s GLU 47 Ca 0.39 -0.06 0.07 0.00 0.01 0.00 0.00 54.97 55.38 2a7y s GLU 47 Cb 0.04 -0.16 -0.03 0.00 -4.31 0.00 0.00 34.13 29.67 2a7y s GLU 47 CO 0.22 0.03 0.26 0.25 0.01 0.00 0.00 175.26 176.03 2a7y n THR 48 N 3.09 0.00 -3.63 3.63 -2.24 0.46 -4.93 114.28 110.66 2a7y n THR 48 Ca -0.13 -2.34 -0.27 0.00 -2.27 0.00 0.00 64.05 59.04 2a7y n THR 48 Cb 0.59 1.14 -0.16 0.00 -2.10 0.00 0.00 70.33 69.80 2a7y n THR 48 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2a7y s THR 49 N -3.28 0.10 0.35 4.28 2.01 -1.26 -0.90 115.64 116.94 2a7y s THR 49 Ca 0.37 -0.41 0.08 0.00 0.31 0.00 0.00 61.69 62.04 2a7y s THR 49 Cb 0.02 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 2a7y s THR 49 CO 0.26 -0.35 0.27 0.68 -0.69 0.00 0.00 174.62 174.79 2a7y s VAL 50 N 2.04 0.06 -0.02 3.82 -7.23 -0.90 -4.88 120.40 113.29 2a7y s VAL 50 Ca 0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2a7y s VAL 50 Cb -0.16 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.33 2a7y s VAL 50 CO -0.14 0.00 0.01 -0.31 -0.31 0.00 0.00 175.10 174.35 2a7y s TYR 51 N -3.37 0.17 0.07 2.82 1.51 -1.26 -2.16 117.35 115.14 2a7y s TYR 51 Ca 0.39 0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 56.49 2a7y s TYR 51 Cb 0.02 -0.30 0.02 0.00 -0.11 0.00 0.00 41.96 41.58 2a7y s TYR 51 CO 0.27 -0.10 0.09 -0.35 -1.11 0.00 0.00 175.55 174.36 2a7y n PRO 52 N 4.05 0.18 0.00 -1.71 -0.04 -1.26 -5.02 135.00 131.20 2a7y n PRO 52 Ca -0.26 -0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 2a7y n PRO 52 Cb 0.51 -0.08 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 2a7y n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a7y n GLY 53 N 4.35 0.87 3.94 0.55 0.00 -1.26 -5.09 105.19 108.54 2a7y n GLY 53 Ca 0.01 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.00 6.35 0.00 1.61 0.01 -1.26 -4.50 113.70 114.91 2a7y s SER 54 Ca 0.00 0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2a7y s SER 54 Cb 0.00 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.22 2a7y s SER 54 CO 0.00 -0.14 0.00 -0.67 0.41 0.00 0.00 173.24 172.84 2a7y n ASP 55 N -1.13 0.00 -1.70 2.44 -0.08 -1.26 -4.15 116.55 110.67 2a7y n ASP 55 Ca -0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 2a7y n ASP 55 Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 2a7y n ASP 55 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2a7y n ALA 56 N 0.00 -1.60 -4.29 -1.67 0.00 -1.26 -4.81 120.51 106.88 2a7y n ALA 56 Ca 0.00 0.30 -0.24 0.00 0.00 0.00 0.00 53.44 53.50 2a7y n ALA 56 Cb 0.00 -1.10 -0.08 0.00 0.00 0.00 0.00 19.45 18.27 2a7y n ALA 56 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2a7y n VAL 57 N 0.22 0.00 -3.95 0.00 3.14 0.09 -4.81 118.33 113.02 2a7y n VAL 57 Ca 0.00 -2.45 -0.15 0.00 -2.96 0.00 0.00 64.34 58.78 2a7y n VAL 57 Cb 0.00 1.19 -0.15 0.00 -1.06 0.00 0.00 33.84 33.81 2a7y n VAL 57 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2a7y s VAL 58 N -3.33 0.16 0.35 1.55 1.01 -1.26 -1.76 120.40 117.11 2a7y s VAL 58 Ca 0.38 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.44 2a7y s VAL 58 Cb 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 2a7y s VAL 58 CO 0.27 0.09 0.27 1.33 0.00 0.00 0.00 175.10 177.06 2a7y n VAL 59 N 3.60 0.00 -3.38 2.92 0.24 0.46 -4.93 118.33 117.24 2a7y n VAL 59 Ca -0.20 -2.46 0.00 0.00 -2.04 0.00 0.00 64.34 59.64 2a7y n VAL 59 Cb 0.55 1.18 0.00 0.00 -1.47 0.00 0.00 33.84 34.10 2a7y n VAL 59 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2a7y n THR 60 N -0.68 0.00 -0.14 3.34 -2.24 -1.26 -0.91 114.28 112.39 2a7y n THR 60 Ca 0.06 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.79 2a7y n THR 60 Cb 0.61 -0.06 0.04 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.92 0.54 0.67 6.98 0.00 -1.98 -1.43 119.26 124.96 2a7y h ALA 61 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2a7y h ALA 61 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2a7y h ALA 61 CO 0.00 -0.17 -0.45 1.79 0.00 0.00 0.00 179.25 180.42 2a7y h THR 62 N 0.40 0.00 -0.13 0.00 1.35 -2.02 -1.57 112.91 110.93 2a7y h THR 62 Ca 0.20 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.09 2a7y h THR 62 Cb 0.14 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.55 2a7y h THR 62 CO -0.16 0.00 0.16 -0.33 -0.25 0.00 0.00 175.52 174.93 2a7y h GLU 63 N -1.06 0.00 -0.56 4.72 4.39 -1.96 -2.38 114.58 117.73 2a7y h GLU 63 Ca -0.09 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.66 2a7y h GLU 63 Cb 0.86 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.46 2a7y h GLU 63 CO 0.06 0.00 0.30 1.25 -1.16 0.00 0.00 179.01 179.46 2a7y h HIS 64 N 0.00 0.55 0.00 4.33 -0.00 -0.21 -3.03 115.15 116.79 2a7y h HIS 64 Ca 0.06 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 2a7y h HIS 64 Cb 0.37 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 2a7y h HIS 64 CO 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 177.93 178.20 2a7y n ALA 65 N -2.33 -0.33 -0.19 5.26 0.00 -0.90 -1.24 120.51 120.78 2a7y n ALA 65 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 2a7y n ALA 65 Cb 0.14 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.60 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 0.84 0.00 0.00 -0.00 -1.75 -2.10 114.58 111.57 2a7y h GLU 66 Ca 0.00 -0.17 -0.06 0.00 -0.00 0.00 0.00 59.36 59.12 2a7y h GLU 66 Cb 0.00 -0.12 -0.01 0.00 -0.00 0.00 0.00 28.75 28.62 2a7y h GLU 66 CO 0.00 0.76 -0.29 0.00 -0.00 0.00 0.00 179.01 179.48 2a7y h ALA 67 N 1.04 1.31 -0.03 1.06 0.00 -1.63 -2.32 119.26 118.67 2a7y h ALA 67 Ca 0.18 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2a7y h ALA 67 Cb 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2a7y h ALA 67 CO -0.01 0.36 -0.52 1.49 0.00 0.00 0.00 179.25 180.57 2a7y h GLU 68 N 0.00 0.09 -0.04 0.00 4.81 -0.48 0.42 114.58 119.38 2a7y h GLU 68 Ca -0.00 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2a7y h GLU 68 Cb 0.59 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2a7y h GLU 68 CO 0.04 0.60 -0.14 0.87 -0.73 0.00 0.00 179.01 179.64 2a7y h LYS 69 N 0.07 -0.21 -0.02 1.92 1.57 -1.16 -1.82 116.57 116.93 2a7y h LYS 69 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2a7y h LYS 69 Cb 0.95 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 2a7y h LYS 69 CO 0.07 -0.14 0.16 0.00 -0.57 0.00 0.00 179.45 178.97 2a7y h ARG 70 N -0.21 0.00 0.20 3.15 -0.00 -0.94 -2.72 114.38 113.86 2a7y h ARG 70 Ca 0.06 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.53 2a7y h ARG 70 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.27 2a7y h ARG 70 CO -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 179.97 179.71 2a7y h ALA 71 N 1.70 -0.27 0.00 0.04 0.00 -0.11 0.12 119.26 120.74 2a7y h ALA 71 Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2a7y h ALA 71 Cb 0.32 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2a7y h ALA 71 CO -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 179.25 178.98 2a7y h ALA 72 N -1.10 1.18 -1.03 0.00 0.00 -1.34 0.18 119.26 117.16 2a7y h ALA 72 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2a7y h ALA 72 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2a7y h ALA 72 CO 0.04 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.31 2a7y n ALA 73 N -2.17 -0.07 -0.07 0.00 0.00 -1.04 -4.09 120.51 113.07 2a7y n ALA 73 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 2a7y n ALA 73 Cb 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.50 2a7y n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a7y h ARG 74 N 0.00 0.00 0.79 0.00 3.08 -0.49 -3.36 114.38 114.40 2a7y h ARG 74 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2a7y h ARG 74 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2a7y h ARG 74 CO 0.00 0.51 -0.47 0.00 -1.07 0.00 0.00 179.97 178.93 2a7y h ALA 75 N -0.56 -1.28 -2.48 0.04 0.00 -0.74 -3.38 119.26 110.86 2a7y h ALA 75 Ca -0.05 -0.25 -0.60 0.00 0.00 0.00 0.00 54.91 54.02 2a7y h ALA 75 Cb 0.61 0.58 -0.40 0.00 0.00 0.00 0.00 17.79 18.58 2a7y h ALA 75 CO -0.03 -1.23 -0.80 0.41 0.00 0.00 0.00 179.25 177.61 2a7y n GLY 76 N -1.61 3.40 0.00 0.00 0.00 -0.33 -4.77 105.19 101.88 2a7y n GLY 76 Ca -0.15 -2.05 0.08 0.00 0.00 0.00 0.00 46.02 43.91 2a7y n GLY 76 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2a7y n HIS 77 N 1.89 0.00 -2.15 1.61 1.44 -1.26 -4.44 115.22 112.31 2a7y n HIS 77 Ca 0.25 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.99 2a7y n HIS 77 Cb 0.43 -0.16 0.04 0.00 0.12 0.00 0.00 29.99 30.42 2a7y n HIS 77 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2a7y n ALA 78 N -1.69 2.34 -2.03 1.59 0.00 -1.26 -4.84 120.51 114.61 2a7y n ALA 78 Ca 0.01 -1.97 -0.11 0.00 0.00 0.00 0.00 53.44 51.36 2a7y n ALA 78 Cb 0.34 -0.60 0.08 0.00 0.00 0.00 0.00 19.45 19.27 2a7y n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a7y n ALA 79 N 0.06 4.17 0.11 0.00 0.00 -1.26 -5.20 120.51 118.38 2a7y n ALA 79 Ca 0.06 -3.43 0.01 0.00 0.00 0.00 0.00 53.44 50.08 2a7y n ALA 79 Cb 0.92 -0.42 0.01 0.00 0.00 0.00 0.00 19.45 19.95 2a7y n ALA 79 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91