#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 0.39 0.24 3.17 5.65 -1.26 -4.64 115.29 118.84 2a7y s HIS 2 Ca 0.00 -0.53 0.01 0.00 0.25 0.00 0.00 55.06 54.79 2a7y s HIS 2 Cb 0.00 -0.26 -0.04 0.00 -1.18 0.00 0.00 32.58 31.10 2a7y s HIS 2 CO 0.00 -0.16 0.15 0.00 -0.65 0.00 0.00 174.74 174.08 2a7y s ALA 3 N -1.48 1.43 0.03 1.58 0.00 -0.72 -4.93 121.76 117.67 2a7y s ALA 3 Ca -0.14 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.05 2a7y s ALA 3 Cb -0.10 1.33 -0.02 0.00 0.00 0.00 0.00 23.12 24.33 2a7y s ALA 3 CO -0.01 -0.57 -0.04 0.21 0.00 0.00 0.00 175.76 175.35 2a7y s LYS 4 N -4.01 0.42 0.17 0.00 2.20 -1.26 -4.75 119.74 112.51 2a7y s LYS 4 Ca 0.39 -0.76 -0.27 0.00 -0.36 0.00 0.00 55.97 54.97 2a7y s LYS 4 Cb 0.06 0.03 -0.08 0.00 -1.51 0.00 0.00 37.83 36.34 2a7y s LYS 4 CO 0.15 -0.04 0.82 0.54 -0.36 0.00 0.00 175.35 176.47 2a7y s VAL 5 N -1.92 4.33 0.00 4.02 0.11 -1.26 -3.40 120.40 122.28 2a7y s VAL 5 Ca -0.10 1.81 0.00 0.00 -2.93 0.00 0.00 61.98 60.76 2a7y s VAL 5 Cb -0.07 -4.19 0.00 0.00 -1.53 0.00 0.00 36.38 30.59 2a7y s VAL 5 CO -0.02 0.50 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 2a7y n GLY 6 N 1.66 0.90 2.97 6.54 0.00 0.40 -5.01 105.19 112.65 2a7y n GLY 6 Ca -0.04 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.22 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 1.18 -0.32 -4.25 1.61 9.92 -1.22 -4.97 116.55 118.50 2a7y n ASP 7 Ca 0.00 -3.01 -0.14 0.00 -0.53 0.00 0.00 54.79 51.11 2a7y n ASP 7 Cb 0.20 1.43 -0.10 0.00 -0.64 0.00 0.00 41.12 42.01 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 -3.20 1.33 0.01 1.24 1.51 -0.36 -0.32 117.35 117.56 2a7y s TYR 8 Ca 0.34 -1.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.13 2a7y s TYR 8 Cb 0.02 -0.72 -0.01 0.00 -0.11 0.00 0.00 41.96 41.13 2a7y s TYR 8 CO 0.24 -0.48 -0.03 -1.17 -1.11 0.00 0.00 175.55 172.99 2a7y s LEU 9 N -3.23 2.13 0.13 -1.29 0.20 0.07 -0.40 118.68 116.29 2a7y s LEU 9 Ca 0.38 -0.29 -0.01 0.00 0.69 0.00 0.00 54.13 54.90 2a7y s LEU 9 Cb 0.07 -0.04 -0.04 0.00 -0.43 0.00 0.00 46.19 45.76 2a7y s LEU 9 CO 0.12 -0.13 0.04 -0.69 -0.29 0.00 0.00 176.35 175.39 2a7y s VAL 10 N -0.79 0.22 -0.00 1.68 1.01 -0.70 -2.20 120.40 119.61 2a7y s VAL 10 Ca -0.07 -1.91 0.00 0.00 0.00 0.00 0.00 61.98 60.00 2a7y s VAL 10 Cb -0.06 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2a7y s VAL 10 CO -0.00 -0.53 -0.01 0.54 0.00 0.00 0.00 175.10 175.09 2a7y s VAL 11 N -3.97 0.12 -0.01 2.92 0.11 0.48 -0.38 120.40 119.67 2a7y s VAL 11 Ca 0.22 -0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.21 2a7y s VAL 11 Cb 0.07 -0.12 -0.27 0.00 -1.53 0.00 0.00 36.38 34.54 2a7y s VAL 11 CO 0.01 0.04 0.78 0.50 -3.33 0.00 0.00 175.10 173.10 2a7y h LYS 12 N 6.22 0.21 0.00 1.54 3.64 -1.69 -2.68 116.57 123.81 2a7y h LYS 12 Ca -0.27 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 58.75 2a7y h LYS 12 Cb 1.20 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2a7y h LYS 12 CO 0.51 1.04 0.00 0.41 -2.27 0.00 0.00 179.45 179.13 2a7y n GLY 13 N 1.68 3.90 1.00 5.01 0.00 -1.26 -2.16 105.19 113.36 2a7y n GLY 13 Ca -0.18 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.01 2a7y n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a7y n THR 14 N 0.00 0.47 -4.11 2.61 -2.24 -1.26 -4.90 114.28 104.85 2a7y n THR 14 Ca 0.00 -0.73 -0.26 0.00 -2.27 0.00 0.00 64.05 60.78 2a7y n THR 14 Cb 0.00 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.16 2a7y n THR 14 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2a7y s THR 15 N -1.38 4.29 -0.65 4.28 -1.32 -0.92 -5.06 115.64 114.87 2a7y s THR 15 Ca 0.33 -1.16 -0.24 0.00 -1.21 0.00 0.00 61.69 59.41 2a7y s THR 15 Cb 0.20 -3.17 0.06 0.00 -1.51 0.00 0.00 72.50 68.07 2a7y s THR 15 CO 0.27 -0.10 1.01 -0.89 -2.21 0.00 0.00 174.62 172.71 2a7y s THR 16 N -1.73 4.23 -1.75 5.08 2.01 -1.26 -4.22 115.64 118.00 2a7y s THR 16 Ca 0.30 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.17 2a7y s THR 16 Cb -0.10 -4.70 0.00 0.00 0.01 0.00 0.00 72.50 67.71 2a7y s THR 16 CO 0.22 -1.47 0.00 -0.62 -0.69 0.00 0.00 174.62 172.06 2a7y n GLU 17 N 7.95 -1.25 -3.35 4.92 1.02 -1.26 -4.97 120.64 123.69 2a7y n GLU 17 Ca -0.02 1.07 -0.38 0.00 -0.02 0.00 0.00 57.16 57.82 2a7y n GLU 17 Cb 0.46 -5.32 -0.06 0.00 -0.02 0.00 0.00 31.44 26.50 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 -3.37 4.26 -0.53 3.49 3.52 -1.26 -5.04 118.95 120.01 2a7y s ARG 18 Ca 0.00 0.44 -0.19 0.00 -0.13 0.00 0.00 55.73 55.85 2a7y s ARG 18 Cb 0.00 -3.39 0.07 0.00 -1.56 0.00 0.00 34.95 30.07 2a7y s ARG 18 CO 0.00 0.29 0.67 -1.01 -0.81 0.00 0.00 175.30 174.43 2a7y s HIS 19 N 0.21 3.01 0.35 5.12 3.76 -1.26 -4.37 115.29 122.10 2a7y s HIS 19 Ca 0.25 -0.58 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 2a7y s HIS 19 Cb -0.16 -3.67 -0.04 0.00 1.11 0.00 0.00 32.58 29.82 2a7y s HIS 19 CO 0.11 -1.11 0.12 0.34 -0.85 0.00 0.00 174.74 173.34 2a7y s ASP 20 N 2.89 2.22 -0.07 1.40 2.15 -1.01 -4.85 116.67 119.40 2a7y s ASP 20 Ca 0.16 -1.55 -0.05 0.00 0.43 0.00 0.00 52.55 51.54 2a7y s ASP 20 Cb -0.20 0.30 0.02 0.00 -0.30 0.00 0.00 42.92 42.74 2a7y s ASP 20 CO 0.11 -0.82 0.10 0.00 -0.17 0.00 0.00 175.17 174.39 2a7y n GLN 21 N -0.73 -3.63 -3.76 4.34 6.02 -0.92 -0.39 117.38 118.31 2a7y n GLN 21 Ca -0.03 2.73 -0.19 0.00 -0.01 0.00 0.00 57.00 59.50 2a7y n GLN 21 Cb 0.65 -3.64 -0.17 0.00 1.02 0.00 0.00 30.24 28.10 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 -0.44 0.22 0.29 1.08 2.46 -1.19 -3.18 115.29 114.53 2a7y s HIS 22 Ca -0.12 0.10 0.07 0.00 0.47 0.00 0.00 55.06 55.58 2a7y s HIS 22 Cb 0.01 -0.48 -0.02 0.00 -0.13 0.00 0.00 32.58 31.95 2a7y s HIS 22 CO 0.32 -0.19 0.24 0.00 -2.47 0.00 0.00 174.74 172.64 2a7y n ALA 23 N 4.84 0.62 -3.72 1.58 0.00 -0.93 -3.77 120.51 119.12 2a7y n ALA 23 Ca -0.13 -1.71 -0.20 0.00 0.00 0.00 0.00 53.44 51.40 2a7y n ALA 23 Cb 0.50 1.37 -0.17 0.00 0.00 0.00 0.00 19.45 21.15 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 -3.19 0.33 -0.56 0.00 -6.30 -0.83 -0.75 118.70 107.39 2a7y s GLU 24 Ca 0.34 0.17 -0.24 0.00 -2.50 0.00 0.00 54.97 52.75 2a7y s GLU 24 Cb 0.02 -0.71 0.05 0.00 0.00 0.00 0.00 34.13 33.49 2a7y s GLU 24 CO 0.24 -0.26 0.92 0.42 0.02 0.00 0.00 175.26 176.60 2a7y s ILE 25 N 1.76 4.41 -0.68 -3.70 1.01 0.56 -1.46 121.20 123.10 2a7y s ILE 25 Ca 0.01 0.15 0.22 0.00 0.00 0.00 0.00 60.65 61.02 2a7y s ILE 25 Cb -0.13 -4.54 -0.23 0.00 0.01 0.00 0.00 42.46 37.57 2a7y s ILE 25 CO -0.04 -1.14 0.83 2.30 0.00 0.00 0.00 174.94 176.90 2a7y n ILE 26 N 6.12 0.03 -3.94 2.92 -0.00 -1.23 -0.46 119.36 122.80 2a7y n ILE 26 Ca 0.00 -0.17 -0.13 0.00 -0.00 0.00 0.00 62.75 62.46 2a7y n ILE 26 Cb 0.47 0.58 -0.14 0.00 -0.00 0.00 0.00 39.64 40.55 2a7y n ILE 26 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 2a7y s GLU 27 N -3.17 0.13 -0.30 6.28 -6.30 -0.70 -4.89 118.70 109.75 2a7y s GLU 27 Ca 0.03 -0.10 -0.03 0.00 -2.50 0.00 0.00 54.97 52.37 2a7y s GLU 27 Cb 0.15 -0.09 0.10 0.00 0.00 0.00 0.00 34.13 34.30 2a7y s GLU 27 CO 0.86 0.02 0.12 0.08 0.02 0.00 0.00 175.26 176.37 2a7y s VAL 28 N -0.16 0.16 -1.17 3.70 1.01 -1.26 -2.47 120.40 120.21 2a7y s VAL 28 Ca -0.01 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 2a7y s VAL 28 Cb -0.01 -1.15 0.22 0.00 0.00 0.00 0.00 36.38 35.44 2a7y s VAL 28 CO -0.00 -0.72 1.33 -1.14 0.00 0.00 0.00 175.10 174.57 2a7y n ARG 29 N 5.14 3.51 0.00 2.72 0.63 -1.26 -3.77 116.66 123.63 2a7y n ARG 29 Ca -0.05 -4.12 0.00 0.00 -0.92 0.00 0.00 57.85 52.76 2a7y n ARG 29 Cb 0.42 -2.81 0.00 0.00 0.45 0.00 0.00 32.46 30.52 2a7y n ARG 29 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2a7y n SER 30 N 4.10 0.00 0.00 6.15 3.41 -1.26 -4.51 113.62 121.51 2a7y n SER 30 Ca 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 2a7y n SER 30 Cb 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2a7y n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a7y n ALA 31 N 0.00 0.00 -0.10 7.33 0.00 -1.25 -4.60 120.51 121.89 2a7y n ALA 31 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2a7y n ALA 31 Cb 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.29 2a7y n ALA 31 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2a7y n ASP 32 N 0.00 2.00 0.00 0.00 5.75 -1.26 -4.88 116.55 118.16 2a7y n ASP 32 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 2a7y n ASP 32 Cb 0.00 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2a7y n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a7y n GLY 33 N 2.36 0.24 3.77 6.12 0.00 -1.26 -1.75 105.19 114.67 2a7y n GLY 33 Ca -0.36 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.86 7.03 0.83 1.61 0.01 -1.26 -4.84 113.70 116.23 2a7y s SER 34 Ca 0.00 2.05 -0.11 0.00 1.31 0.00 0.00 55.95 59.20 2a7y s SER 34 Cb 0.00 -2.60 0.09 0.00 0.21 0.00 0.00 66.02 63.73 2a7y s SER 34 CO 0.00 -0.30 1.10 -2.84 0.41 0.00 0.00 173.24 171.62 2a7y s PRO 35 N -2.10 1.78 0.13 12.44 0.02 -1.26 -4.52 135.00 141.48 2a7y s PRO 35 Ca 0.52 1.22 -0.02 0.00 0.02 0.00 0.00 61.00 62.75 2a7y s PRO 35 Cb -0.24 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.47 2a7y s PRO 35 CO 0.30 -2.00 0.17 -0.35 -0.33 0.00 0.00 177.00 174.80 2a7y n PRO 36 N -3.77 -0.11 -4.29 5.54 -0.04 -1.26 -4.99 135.00 126.08 2a7y n PRO 36 Ca 0.09 -0.28 -0.18 0.00 -0.04 0.00 0.00 63.50 63.10 2a7y n PRO 36 Cb 0.53 -0.17 -0.09 0.00 -0.04 0.00 0.00 33.50 33.73 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 -1.28 1.58 -0.15 0.54 1.51 -1.02 -4.10 117.35 114.44 2a7y s TYR 37 Ca 0.10 -1.51 -0.03 0.00 -1.01 0.00 0.00 57.07 54.61 2a7y s TYR 37 Cb -0.00 -0.73 0.05 0.00 -0.11 0.00 0.00 41.96 41.16 2a7y s TYR 37 CO 0.07 -0.71 0.06 0.08 -1.11 0.00 0.00 175.55 173.94 2a7y s VAL 38 N -3.64 0.14 0.20 0.71 1.01 -1.03 -2.11 120.40 115.68 2a7y s VAL 38 Ca 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 2a7y s VAL 38 Cb 0.04 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2a7y s VAL 38 CO 0.21 -0.12 0.11 0.54 0.00 0.00 0.00 175.10 175.84 2a7y s VAL 39 N 2.04 0.12 -0.03 2.92 0.11 0.14 -1.71 120.40 123.99 2a7y s VAL 39 Ca 0.02 -1.99 -0.00 0.00 -2.93 0.00 0.00 61.98 57.08 2a7y s VAL 39 Cb -0.15 -2.47 0.03 0.00 -1.53 0.00 0.00 36.38 32.25 2a7y s VAL 39 CO -0.07 -0.05 0.02 -0.60 -3.33 0.00 0.00 175.10 171.06 2a7y s ARG 40 N -4.12 0.14 -1.13 1.54 3.52 -0.53 -0.39 118.95 117.98 2a7y s ARG 40 Ca 0.37 0.16 -0.21 0.00 -0.13 0.00 0.00 55.73 55.92 2a7y s ARG 40 Cb 0.07 -0.43 0.06 0.00 -1.56 0.00 0.00 34.95 33.09 2a7y s ARG 40 CO 0.11 -0.18 1.56 -1.58 -0.81 0.00 0.00 175.30 174.40 2a7y s TRP 41 N 1.24 2.63 0.02 5.12 0.52 -0.02 -1.97 118.94 126.48 2a7y s TRP 41 Ca -0.07 -1.16 -0.11 0.00 0.02 0.00 0.00 56.10 54.79 2a7y s TRP 41 Cb -0.13 -4.72 -0.06 0.00 -1.15 0.00 0.00 33.47 27.41 2a7y s TRP 41 CO -0.03 -1.89 1.16 -0.07 0.02 0.00 0.00 176.95 176.15 2a7y h LEU 42 N 12.69 -0.33 -1.58 2.99 3.38 -1.91 0.47 115.31 131.03 2a7y h LEU 42 Ca 0.30 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2a7y h LEU 42 Cb 0.95 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2a7y h LEU 42 CO 1.44 -0.23 0.28 -0.37 0.09 0.00 0.00 178.44 179.65 2a7y h VAL 43 N -0.39 1.11 0.98 1.22 -1.51 -1.94 -2.04 116.25 113.69 2a7y h VAL 43 Ca -0.04 -0.21 -0.05 0.00 -1.23 0.00 0.00 66.70 65.18 2a7y h VAL 43 Cb 0.30 0.48 0.01 0.00 -2.13 0.00 0.00 31.29 29.95 2a7y h VAL 43 CO 0.06 0.11 -0.47 0.78 -1.23 0.00 0.00 177.57 176.82 2a7y h ASN 44 N 0.58 -1.11 0.00 4.19 2.35 -1.85 -3.49 115.58 116.25 2a7y h ASN 44 Ca 0.16 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2a7y h ASN 44 Cb -0.06 0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2a7y h ASN 44 CO -0.03 -0.79 0.00 0.61 -1.65 0.00 0.00 177.43 175.57 2a7y n GLY 45 N -1.59 1.00 3.12 2.83 0.00 0.16 -5.11 105.19 105.59 2a7y n GLY 45 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.96 0.65 -0.05 1.61 4.02 -0.81 -5.02 115.29 113.74 2a7y s HIS 46 Ca 0.00 -1.06 -0.02 0.00 1.02 0.00 0.00 55.06 55.00 2a7y s HIS 46 Cb 0.00 -0.43 0.03 0.00 -1.02 0.00 0.00 32.58 31.16 2a7y s HIS 46 CO 0.00 -0.35 0.05 -2.00 1.02 0.00 0.00 174.74 173.45 2a7y s GLU 47 N -3.92 0.08 0.31 1.40 2.12 -1.26 -0.84 118.70 116.57 2a7y s GLU 47 Ca 0.11 0.31 0.07 0.00 0.36 0.00 0.00 54.97 55.82 2a7y s GLU 47 Cb 0.07 -0.60 -0.03 0.00 0.26 0.00 0.00 34.13 33.84 2a7y s GLU 47 CO -0.07 -0.31 0.25 -2.37 -0.54 0.00 0.00 175.26 172.21 2a7y n THR 48 N 5.21 0.00 -3.64 -1.70 5.66 0.48 -5.00 114.28 115.29 2a7y n THR 48 Ca -0.05 -2.21 -0.27 0.00 -3.05 0.00 0.00 64.05 58.46 2a7y n THR 48 Cb 0.50 1.08 -0.16 0.00 -1.55 0.00 0.00 70.33 70.20 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 -3.21 0.13 0.30 1.09 2.01 -1.26 -0.68 115.64 114.01 2a7y s THR 49 Ca 0.35 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.98 2a7y s THR 49 Cb 0.02 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 2a7y s THR 49 CO 0.25 -0.34 0.22 0.54 -0.69 0.00 0.00 174.62 174.59 2a7y s VAL 50 N 2.03 0.08 -0.12 3.82 0.11 -0.90 -4.97 120.40 120.45 2a7y s VAL 50 Ca 0.03 -2.00 -0.03 0.00 -2.93 0.00 0.00 61.98 57.04 2a7y s VAL 50 Cb -0.16 -2.49 0.05 0.00 -1.53 0.00 0.00 36.38 32.24 2a7y s VAL 50 CO -0.14 0.00 0.06 -0.31 -3.33 0.00 0.00 175.10 171.39 2a7y s TYR 51 N -3.63 0.31 0.00 1.54 2.02 -1.26 -2.45 117.35 113.89 2a7y s TYR 51 Ca 0.39 -0.20 -0.03 0.00 -0.37 0.00 0.00 57.07 56.87 2a7y s TYR 51 Cb 0.04 -0.68 -0.01 0.00 -0.40 0.00 0.00 41.96 40.90 2a7y s TYR 51 CO 0.22 -0.41 0.84 -1.00 -1.57 0.00 0.00 175.55 173.63 2a7y h PRO 52 N 8.39 -0.09 0.00 -1.71 0.13 -1.97 -3.51 132.00 133.25 2a7y h PRO 52 Ca -0.15 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2a7y h PRO 52 Cb 1.13 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2a7y h PRO 52 CO 0.25 -0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.37 2a7y n GLY 53 N -0.45 -0.90 1.32 1.56 0.00 -1.26 -4.97 105.19 100.49 2a7y n GLY 53 Ca -0.01 -1.04 0.03 0.00 0.00 0.00 0.00 46.02 44.99 2a7y n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2a7y n SER 54 N 1.03 3.66 -2.71 1.61 3.41 -1.26 -3.87 113.62 115.48 2a7y n SER 54 Ca 0.00 -2.56 -0.09 0.00 -0.26 0.00 0.00 58.87 55.96 2a7y n SER 54 Cb 0.00 -0.61 0.04 0.00 -0.26 0.00 0.00 64.21 63.38 2a7y n SER 54 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2a7y n ASP 55 N 0.29 0.74 -4.73 4.04 -0.08 -1.26 -4.94 116.55 110.61 2a7y n ASP 55 Ca 0.17 -2.71 -0.41 0.00 -1.51 0.00 0.00 54.79 50.33 2a7y n ASP 55 Cb 0.82 -0.22 -0.03 0.00 2.34 0.00 0.00 41.12 44.02 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 -2.42 3.38 0.34 -1.67 0.00 -1.25 -2.51 121.76 117.62 2a7y s ALA 56 Ca 0.27 0.84 0.07 0.00 0.00 0.00 0.00 51.96 53.14 2a7y s ALA 56 Cb 0.44 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 2a7y s ALA 56 CO 0.01 -0.32 0.27 1.55 0.00 0.00 0.00 175.76 177.26 2a7y n VAL 57 N 3.04 0.00 -3.99 0.00 3.14 0.49 -4.92 118.33 116.09 2a7y n VAL 57 Ca 0.05 -2.44 -0.14 0.00 -2.96 0.00 0.00 64.34 58.86 2a7y n VAL 57 Cb 0.46 1.18 -0.14 0.00 -1.06 0.00 0.00 33.84 34.28 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 0.18 0.31 1.55 1.01 -1.26 -1.73 120.40 117.13 2a7y s VAL 58 Ca 0.38 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.31 2a7y s VAL 58 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 2a7y s VAL 58 CO 0.27 0.05 0.22 0.68 0.00 0.00 0.00 175.10 176.32 2a7y s VAL 59 N -0.03 0.09 0.00 2.92 -7.23 0.46 -4.90 120.40 111.71 2a7y s VAL 59 Ca 0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 2a7y s VAL 59 Cb -0.01 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.44 2a7y s VAL 59 CO -0.00 0.00 0.00 1.07 -0.31 0.00 0.00 175.10 175.86 2a7y n THR 60 N -0.57 0.00 -0.03 5.32 5.66 -1.26 -1.23 114.28 122.17 2a7y n THR 60 Ca 0.05 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.96 2a7y n THR 60 Cb 0.64 -0.18 -0.03 0.00 -1.55 0.00 0.00 70.33 69.20 2a7y n THR 60 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2a7y h ALA 61 N 0.89 0.14 0.47 1.79 0.00 -1.98 0.11 119.26 120.68 2a7y h ALA 61 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2a7y h ALA 61 Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2a7y h ALA 61 CO 0.00 -0.45 -0.35 1.79 0.00 0.00 0.00 179.25 180.24 2a7y h THR 62 N 0.04 0.29 -0.16 0.00 1.35 -2.02 -1.98 112.91 110.42 2a7y h THR 62 Ca 0.08 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.99 2a7y h THR 62 Cb 0.11 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 66.81 2a7y h THR 62 CO -0.15 0.00 0.16 -0.33 -0.25 0.00 0.00 175.52 174.95 2a7y h GLU 63 N -0.80 0.00 -0.19 4.72 5.08 -1.93 -2.27 114.58 119.19 2a7y h GLU 63 Ca -0.05 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2a7y h GLU 63 Cb 0.68 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2a7y h GLU 63 CO 0.01 0.00 0.01 1.25 -1.00 0.00 0.00 179.01 179.28 2a7y h HIS 64 N 0.00 0.01 0.00 4.33 -0.00 0.01 -3.25 115.15 116.25 2a7y h HIS 64 Ca 0.08 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 2a7y h HIS 64 Cb 0.40 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 2a7y h HIS 64 CO 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 177.93 177.92 2a7y n ALA 65 N -2.30 -0.17 0.38 5.26 0.00 -0.85 -0.39 120.51 122.43 2a7y n ALA 65 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 2a7y n ALA 65 Cb 0.10 0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.05 -0.81 0.00 4.11 -1.77 -2.73 114.58 112.34 2a7y h GLU 66 Ca 0.00 0.07 0.07 0.00 0.07 0.00 0.00 59.36 59.57 2a7y h GLU 66 Cb 0.00 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 2a7y h GLU 66 CO 0.00 -0.70 0.53 0.00 0.07 0.00 0.00 179.01 178.91 2a7y h ALA 67 N -0.93 1.65 -0.27 1.06 0.00 -1.63 -2.14 119.26 117.01 2a7y h ALA 67 Ca -0.09 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 2a7y h ALA 67 Cb 0.89 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2a7y h ALA 67 CO 0.06 0.21 -0.59 1.49 0.00 0.00 0.00 179.25 180.42 2a7y h GLU 68 N 0.84 0.87 0.20 0.00 4.81 -0.64 0.16 114.58 120.82 2a7y h GLU 68 Ca 0.35 -0.58 0.01 0.00 -0.13 0.00 0.00 59.36 59.01 2a7y h GLU 68 Cb 0.29 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 2a7y h GLU 68 CO -0.13 1.21 -0.48 0.87 -0.73 0.00 0.00 179.01 179.75 2a7y h LYS 69 N 0.65 -0.74 0.17 1.92 1.57 -1.07 0.13 116.57 119.20 2a7y h LYS 69 Ca 0.00 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2a7y h LYS 69 Cb 1.20 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.68 2a7y h LYS 69 CO 0.13 -0.49 -0.08 0.07 -0.57 0.00 0.00 179.45 178.51 2a7y h ARG 70 N -0.77 -0.22 -0.04 3.15 0.11 -1.50 -2.67 114.38 112.44 2a7y h ARG 70 Ca -0.01 0.01 -0.12 0.00 0.10 0.00 0.00 59.98 59.97 2a7y h ARG 70 Cb 0.75 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.87 2a7y h ARG 70 CO -0.22 0.18 -0.51 0.00 0.10 0.00 0.00 179.97 179.52 2a7y h ALA 71 N -0.02 1.07 0.01 0.08 0.00 -0.70 -2.38 119.26 117.33 2a7y h ALA 71 Ca -0.02 -0.48 -0.22 0.00 0.00 0.00 0.00 54.91 54.19 2a7y h ALA 71 Cb 0.50 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2a7y h ALA 71 CO 0.04 0.65 -0.95 0.00 0.00 0.00 0.00 179.25 179.00 2a7y h ALA 72 N 1.39 0.39 -0.97 0.00 0.00 -0.82 0.17 119.26 119.43 2a7y h ALA 72 Ca 0.00 -0.73 0.19 0.00 0.00 0.00 0.00 54.91 54.37 2a7y h ALA 72 Cb 0.94 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 2a7y h ALA 72 CO 0.07 0.87 0.61 0.00 0.00 0.00 0.00 179.25 180.80 2a7y h ALA 73 N 0.81 1.85 0.05 0.00 0.00 -1.07 -2.05 119.26 118.86 2a7y h ALA 73 Ca -0.07 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2a7y h ALA 73 Cb 1.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2a7y h ALA 73 CO 0.16 -0.18 -0.56 0.00 0.00 0.00 0.00 179.25 178.67 2a7y h ARG 74 N 0.66 0.11 -0.65 0.00 3.08 -1.29 -3.18 114.38 113.11 2a7y h ARG 74 Ca 0.53 -0.18 0.13 0.00 0.07 0.00 0.00 59.98 60.53 2a7y h ARG 74 Cb 0.96 0.07 -0.12 0.00 0.08 0.00 0.00 29.97 30.96 2a7y h ARG 74 CO -0.30 1.09 -0.21 0.00 -1.07 0.00 0.00 179.97 179.48 2a7y h ALA 75 N -0.05 0.31 -1.31 0.04 0.00 -0.29 -3.24 119.26 114.72 2a7y h ALA 75 Ca -0.12 0.24 -0.41 0.00 0.00 0.00 0.00 54.91 54.61 2a7y h ALA 75 Cb 1.30 0.58 -0.40 0.00 0.00 0.00 0.00 17.79 19.27 2a7y h ALA 75 CO 0.02 -0.49 -1.16 0.41 0.00 0.00 0.00 179.25 178.03 2a7y n GLY 76 N -1.45 2.40 0.09 0.00 0.00 -0.81 -4.93 105.19 100.49 2a7y n GLY 76 Ca 0.07 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 2a7y n GLY 76 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2a7y h HIS 77 N 2.98 0.11 0.00 1.61 6.17 -1.57 -3.41 115.15 121.03 2a7y h HIS 77 Ca -0.02 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 2a7y h HIS 77 Cb 1.10 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 31.00 2a7y h HIS 77 CO 0.52 0.06 -0.51 0.00 0.71 0.00 0.00 177.93 178.71 2a7y n ALA 78 N -2.18 3.00 -1.23 5.26 0.00 -1.26 -5.09 120.51 119.01 2a7y n ALA 78 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2a7y n ALA 78 Cb 0.05 0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.77 -2.28 -0.29 0.00 0.00 -1.26 -5.21 120.51 108.71 2a7y n ALA 79 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2a7y n ALA 79 Cb 0.25 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2a7y n ALA 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75