#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 0.20 0.20 3.17 5.65 -1.26 -4.69 115.29 118.57 2a7y s HIS 2 Ca 0.00 0.14 -0.01 0.00 0.25 0.00 0.00 55.06 55.45 2a7y s HIS 2 Cb 0.00 -0.52 -0.04 0.00 -1.18 0.00 0.00 32.58 30.84 2a7y s HIS 2 CO 0.00 -0.20 0.11 0.00 -0.65 0.00 0.00 174.74 174.00 2a7y s ALA 3 N 1.95 1.25 0.15 1.58 0.00 -1.26 -4.92 121.76 120.51 2a7y s ALA 3 Ca 0.03 -1.71 -0.01 0.00 0.00 0.00 0.00 51.96 50.27 2a7y s ALA 3 Cb -0.12 1.26 -0.04 0.00 0.00 0.00 0.00 23.12 24.22 2a7y s ALA 3 CO -0.03 -0.55 0.06 0.21 0.00 0.00 0.00 175.76 175.45 2a7y s LYS 4 N -4.12 1.00 0.36 0.00 2.20 -1.26 -4.41 119.74 113.51 2a7y s LYS 4 Ca 0.37 -1.49 -0.27 0.00 -0.36 0.00 0.00 55.97 54.23 2a7y s LYS 4 Cb 0.07 0.18 -0.09 0.00 -1.51 0.00 0.00 37.83 36.48 2a7y s LYS 4 CO 0.11 -0.27 1.16 0.54 -0.36 0.00 0.00 175.35 176.53 2a7y s VAL 5 N -4.02 3.24 0.00 4.02 0.11 -1.26 -3.22 120.40 119.28 2a7y s VAL 5 Ca 0.27 1.11 0.00 0.00 -2.93 0.00 0.00 61.98 60.43 2a7y s VAL 5 Cb 0.07 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 2a7y s VAL 5 CO 0.04 0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.58 2a7y n GLY 6 N 0.77 0.83 2.95 6.54 0.00 -0.36 -5.02 105.19 110.90 2a7y n GLY 6 Ca 0.02 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 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 0.36 -0.40 -4.26 1.61 8.00 -1.20 -4.97 116.55 115.69 2a7y n ASP 7 Ca 0.00 -3.00 -0.15 0.00 0.71 0.00 0.00 54.79 52.35 2a7y n ASP 7 Cb 0.00 1.45 -0.10 0.00 -0.02 0.00 0.00 41.12 42.45 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 -3.20 1.38 0.01 1.24 1.51 -0.55 -0.45 117.35 117.29 2a7y s TYR 8 Ca 0.34 -1.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.14 2a7y s TYR 8 Cb 0.02 -0.76 -0.01 0.00 -0.11 0.00 0.00 41.96 41.10 2a7y s TYR 8 CO 0.24 -0.47 -0.03 -1.17 -1.11 0.00 0.00 175.55 173.01 2a7y s LEU 9 N -3.25 2.12 0.25 -1.29 0.20 -0.33 -1.24 118.68 115.14 2a7y s LEU 9 Ca 0.38 -0.27 0.02 0.00 0.69 0.00 0.00 54.13 54.95 2a7y s LEU 9 Cb 0.07 -0.03 -0.04 0.00 -0.43 0.00 0.00 46.19 45.76 2a7y s LEU 9 CO 0.13 -0.12 0.17 -0.69 -0.29 0.00 0.00 176.35 175.54 2a7y s VAL 10 N -0.73 0.10 -0.02 1.68 1.01 -0.93 -1.96 120.40 119.56 2a7y s VAL 10 Ca -0.07 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.92 2a7y s VAL 10 Cb -0.05 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.83 2a7y s VAL 10 CO -0.00 0.00 0.00 -0.69 0.00 0.00 0.00 175.10 174.41 2a7y s VAL 11 N -3.88 0.10 0.30 2.92 1.01 0.57 -0.36 120.40 121.07 2a7y s VAL 11 Ca 0.39 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2a7y s VAL 11 Cb 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.27 2a7y s VAL 11 CO 0.17 0.09 0.00 0.29 0.00 0.00 0.00 175.10 175.65 2a7y n LYS 12 N 3.78 -1.79 0.00 2.72 5.02 -1.26 -2.08 118.16 124.55 2a7y n LYS 12 Ca -0.22 1.39 0.00 0.00 -2.02 0.00 0.00 58.31 57.45 2a7y n LYS 12 Cb 0.53 -2.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 2a7y n LYS 12 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a7y n GLY 13 N -3.44 1.47 0.14 0.72 0.00 -1.25 -4.44 105.19 98.39 2a7y n GLY 13 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 2a7y n GLY 13 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2a7y n THR 14 N -0.47 1.73 -2.11 2.61 5.66 -1.26 -4.11 114.28 116.33 2a7y n THR 14 Ca 0.00 -0.61 -0.38 0.00 -3.05 0.00 0.00 64.05 60.01 2a7y n THR 14 Cb 0.00 -1.71 0.00 0.00 -1.55 0.00 0.00 70.33 67.07 2a7y n THR 14 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2a7y n THR 15 N -3.51 4.91 -3.81 1.09 -2.24 -1.26 -4.74 114.28 104.72 2a7y n THR 15 Ca -0.34 -4.65 -0.25 0.00 -2.27 0.00 0.00 64.05 56.54 2a7y n THR 15 Cb 1.02 -1.66 0.01 0.00 -2.10 0.00 0.00 70.33 67.60 2a7y n THR 15 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2a7y n THR 16 N 0.56 -4.15 -3.55 4.28 -2.24 -1.26 -4.99 114.28 102.93 2a7y n THR 16 Ca 0.53 -0.60 -0.23 0.00 -2.27 0.00 0.00 64.05 61.48 2a7y n THR 16 Cb 0.30 -3.40 0.00 0.00 -2.10 0.00 0.00 70.33 65.13 2a7y n THR 16 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2a7y s GLU 17 N -6.22 2.37 0.13 -0.78 2.02 -1.26 -5.01 118.70 109.95 2a7y s GLU 17 Ca 0.10 -1.75 -0.30 0.00 0.02 0.00 0.00 54.97 53.04 2a7y s GLU 17 Cb -0.03 -2.34 -0.07 0.00 0.10 0.00 0.00 34.13 31.79 2a7y s GLU 17 CO 0.86 -0.53 1.08 1.03 0.02 0.00 0.00 175.26 177.72 2a7y s ARG 18 N -4.33 4.58 -0.70 1.61 0.52 -1.26 -4.47 118.95 114.91 2a7y s ARG 18 Ca 0.46 1.65 -0.25 0.00 -0.52 0.00 0.00 55.73 57.07 2a7y s ARG 18 Cb -0.04 -3.32 0.05 0.00 0.52 0.00 0.00 34.95 32.16 2a7y s ARG 18 CO 0.28 0.03 1.12 -1.01 0.02 0.00 0.00 175.30 175.75 2a7y s HIS 19 N 0.14 2.48 0.54 -0.53 3.76 -1.26 -3.90 115.29 116.52 2a7y s HIS 19 Ca 0.51 -0.28 0.03 0.00 -0.15 0.00 0.00 55.06 55.17 2a7y s HIS 19 Cb -0.27 -4.46 0.03 0.00 1.11 0.00 0.00 32.58 28.98 2a7y s HIS 19 CO 0.32 -1.86 0.25 0.34 -0.85 0.00 0.00 174.74 172.94 2a7y s ASP 20 N 3.68 4.43 -0.05 1.40 -1.08 -0.88 -4.75 116.67 119.42 2a7y s ASP 20 Ca 0.29 -1.45 -0.01 0.00 -0.52 0.00 0.00 52.55 50.85 2a7y s ASP 20 Cb -0.12 0.57 0.00 0.00 -1.46 0.00 0.00 42.92 41.92 2a7y s ASP 20 CO 0.13 -1.06 0.02 0.00 0.52 0.00 0.00 175.17 174.79 2a7y n GLN 21 N -1.60 -1.40 -3.84 4.34 6.02 -1.01 -0.31 117.38 119.58 2a7y n GLN 21 Ca -0.10 1.41 -0.16 0.00 -0.01 0.00 0.00 57.00 58.13 2a7y n GLN 21 Cb 0.65 -1.71 -0.16 0.00 1.02 0.00 0.00 30.24 30.04 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 -0.62 0.19 0.29 1.08 2.46 -1.23 -2.55 115.29 114.90 2a7y s HIS 22 Ca -0.03 0.07 0.06 0.00 0.47 0.00 0.00 55.06 55.63 2a7y s HIS 22 Cb 0.00 -0.35 -0.02 0.00 -0.13 0.00 0.00 32.58 32.08 2a7y s HIS 22 CO 0.15 -0.12 0.24 0.00 -2.47 0.00 0.00 174.74 172.53 2a7y n ALA 23 N 4.25 0.61 -3.71 1.58 0.00 -0.83 -3.54 120.51 118.88 2a7y n ALA 23 Ca -0.25 -1.66 -0.20 0.00 0.00 0.00 0.00 53.44 51.33 2a7y n ALA 23 Cb 0.50 1.34 -0.17 0.00 0.00 0.00 0.00 19.45 21.12 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 -3.16 0.44 -0.53 0.00 2.12 -0.97 -1.19 118.70 115.41 2a7y s GLU 24 Ca 0.33 0.08 -0.27 0.00 0.36 0.00 0.00 54.97 55.48 2a7y s GLU 24 Cb 0.02 -0.69 0.03 0.00 0.26 0.00 0.00 34.13 33.75 2a7y s GLU 24 CO 0.24 -0.19 1.07 0.42 -0.54 0.00 0.00 175.26 176.25 2a7y s ILE 25 N 1.39 4.23 -0.49 -3.70 1.01 0.41 -2.02 121.20 122.04 2a7y s ILE 25 Ca -0.04 0.76 0.14 0.00 0.00 0.00 0.00 60.65 61.51 2a7y s ILE 25 Cb -0.13 -4.60 -0.17 0.00 0.01 0.00 0.00 42.46 37.57 2a7y s ILE 25 CO -0.03 -1.13 0.52 2.30 0.00 0.00 0.00 174.94 176.61 2a7y n ILE 26 N 6.53 0.00 -3.92 2.92 -6.64 -1.21 -1.22 119.36 115.82 2a7y n ILE 26 Ca 0.07 -0.21 -0.14 0.00 -1.77 0.00 0.00 62.75 60.70 2a7y n ILE 26 Cb 0.48 0.78 -0.15 0.00 -1.44 0.00 0.00 39.64 39.32 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 -2.50 0.12 -0.20 6.28 -6.30 -0.48 -4.92 118.70 110.69 2a7y s GLU 27 Ca 0.02 0.01 -0.04 0.00 -2.50 0.00 0.00 54.97 52.46 2a7y s GLU 27 Cb 0.10 -0.20 0.07 0.00 0.00 0.00 0.00 34.13 34.10 2a7y s GLU 27 CO 0.58 -0.03 0.08 0.08 0.02 0.00 0.00 175.26 175.99 2a7y s VAL 28 N 0.33 0.10 -0.04 3.70 1.01 -1.26 -2.31 120.40 121.92 2a7y s VAL 28 Ca -0.03 -0.42 0.31 0.00 0.00 0.00 0.00 61.98 61.85 2a7y s VAL 28 Cb -0.05 -0.80 0.37 0.00 0.00 0.00 0.00 36.38 35.90 2a7y s VAL 28 CO -0.01 -0.36 1.91 0.03 0.00 0.00 0.00 175.10 176.67 2a7y h ARG 29 N 8.36 0.00 -2.18 2.72 2.47 -1.84 -3.40 114.38 120.51 2a7y h ARG 29 Ca -0.16 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.45 2a7y h ARG 29 Cb 1.11 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 29.15 2a7y h ARG 29 CO 0.34 0.00 -0.41 -1.12 0.56 0.00 0.00 179.97 179.34 2a7y s SER 30 N -5.51 -0.13 0.00 7.04 0.01 -1.26 -5.01 113.70 108.84 2a7y s SER 30 Ca 0.02 0.69 0.19 0.00 1.31 0.00 0.00 55.95 58.16 2a7y s SER 30 Cb 0.09 1.31 1.11 0.00 0.21 0.00 0.00 66.02 68.73 2a7y s SER 30 CO 0.53 -0.26 1.54 0.00 0.41 0.00 0.00 173.24 175.47 2a7y n ALA 31 N 5.38 2.17 0.83 1.44 0.00 -1.26 -1.22 120.51 127.85 2a7y n ALA 31 Ca -0.06 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.38 2a7y n ALA 31 Cb 0.50 -1.31 0.09 0.00 0.00 0.00 0.00 19.45 18.73 2a7y n ALA 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2a7y n ASP 32 N -1.05 0.65 -0.06 0.00 2.03 -1.26 -4.66 116.55 112.20 2a7y n ASP 32 Ca 0.13 -0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.06 2a7y n ASP 32 Cb 0.08 0.60 0.00 0.00 -0.72 0.00 0.00 41.12 41.08 2a7y n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a7y n GLY 33 N 1.45 0.76 2.81 0.27 0.00 -0.36 -4.45 105.19 105.66 2a7y n GLY 33 Ca 0.04 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.73 0.97 0.64 1.61 0.01 -1.23 -4.81 113.70 109.15 2a7y s SER 34 Ca 0.00 -0.06 -0.16 0.00 1.31 0.00 0.00 55.95 57.04 2a7y s SER 34 Cb 0.00 -0.34 -0.01 0.00 0.21 0.00 0.00 66.02 65.88 2a7y s SER 34 CO 0.00 -0.13 1.13 -2.84 0.41 0.00 0.00 173.24 171.81 2a7y s PRO 35 N 1.39 2.86 0.00 12.44 0.02 -1.26 -4.24 135.00 146.21 2a7y s PRO 35 Ca -0.04 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.48 2a7y s PRO 35 Cb -0.13 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.44 2a7y s PRO 35 CO -0.02 -1.22 0.00 -2.30 -0.33 0.00 0.00 177.00 173.12 2a7y n PRO 36 N -2.16 0.03 -4.26 5.54 -0.02 -1.26 -5.03 135.00 127.84 2a7y n PRO 36 Ca 0.11 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.44 2a7y n PRO 36 Cb 0.51 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.90 2a7y n PRO 36 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2a7y s TYR 37 N -0.95 1.42 -0.10 6.00 2.02 -1.03 -4.34 117.35 120.37 2a7y s TYR 37 Ca 0.00 -1.41 -0.02 0.00 -0.37 0.00 0.00 57.07 55.26 2a7y s TYR 37 Cb 0.00 -0.70 0.04 0.00 -0.40 0.00 0.00 41.96 40.90 2a7y s TYR 37 CO 0.00 -0.62 0.04 0.08 -1.57 0.00 0.00 175.55 173.48 2a7y s VAL 38 N -3.85 0.13 0.30 0.71 1.01 -0.98 -2.41 120.40 115.32 2a7y s VAL 38 Ca 0.38 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.50 2a7y s VAL 38 Cb 0.06 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 2a7y s VAL 38 CO 0.16 0.07 0.22 0.54 0.00 0.00 0.00 175.10 176.09 2a7y s VAL 39 N 2.06 0.07 -0.01 2.92 0.11 -0.31 -1.38 120.40 123.86 2a7y s VAL 39 Ca 0.04 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.09 2a7y s VAL 39 Cb -0.13 -2.49 0.00 0.00 -1.53 0.00 0.00 36.38 32.23 2a7y s VAL 39 CO -0.06 0.00 -0.01 -0.13 -3.33 0.00 0.00 175.10 171.57 2a7y s ARG 40 N -3.66 0.13 -1.17 1.54 0.52 -0.86 -0.35 118.95 115.10 2a7y s ARG 40 Ca 0.39 -0.02 -0.16 0.00 -0.52 0.00 0.00 55.73 55.41 2a7y s ARG 40 Cb 0.04 -0.17 0.13 0.00 0.52 0.00 0.00 34.95 35.47 2a7y s ARG 40 CO 0.22 -0.00 1.47 -1.58 0.02 0.00 0.00 175.30 175.43 2a7y s TRP 41 N 0.16 3.17 0.00 -0.53 0.23 -0.29 -2.29 118.94 119.39 2a7y s TRP 41 Ca -0.01 -1.78 -0.01 0.00 -2.03 0.00 0.00 56.10 52.27 2a7y s TRP 41 Cb -0.03 -4.46 -0.01 0.00 0.03 0.00 0.00 33.47 29.00 2a7y s TRP 41 CO -0.00 -1.57 1.02 -0.07 0.96 0.00 0.00 176.95 177.29 2a7y h LEU 42 N 10.84 -0.04 -1.58 2.99 3.38 -1.92 0.46 115.31 129.44 2a7y h LEU 42 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2a7y h LEU 42 Cb 0.91 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2a7y h LEU 42 CO 1.30 -0.03 0.26 -0.37 0.09 0.00 0.00 178.44 179.69 2a7y h VAL 43 N -0.05 1.11 -0.42 1.22 -1.51 -1.90 0.19 116.25 114.89 2a7y h VAL 43 Ca -0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 2a7y h VAL 43 Cb 0.04 0.52 -0.02 0.00 -2.13 0.00 0.00 31.29 29.70 2a7y h VAL 43 CO 0.01 0.11 0.27 0.78 -1.23 0.00 0.00 177.57 177.51 2a7y h ASN 44 N 0.56 0.50 0.00 4.19 2.35 -1.85 -3.48 115.58 117.84 2a7y h ASN 44 Ca 0.15 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2a7y h ASN 44 Cb -0.05 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.20 2a7y h ASN 44 CO -0.03 0.38 0.00 0.61 -1.65 0.00 0.00 177.43 176.74 2a7y n GLY 45 N -1.15 1.03 3.24 2.83 0.00 0.14 -5.11 105.19 106.17 2a7y n GLY 45 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 1.39 -0.03 1.61 3.76 0.27 -5.01 115.29 115.27 2a7y s HIS 46 Ca 0.00 -1.44 -0.00 0.00 -0.15 0.00 0.00 55.06 53.47 2a7y s HIS 46 Cb 0.00 -0.65 0.03 0.00 1.11 0.00 0.00 32.58 33.07 2a7y s HIS 46 CO 0.00 -0.67 0.02 -1.21 -0.85 0.00 0.00 174.74 172.03 2a7y s GLU 47 N -3.93 0.17 0.35 1.40 2.02 -1.26 -1.14 118.70 116.31 2a7y s GLU 47 Ca 0.39 0.15 0.08 0.00 0.02 0.00 0.00 54.97 55.60 2a7y s GLU 47 Cb 0.06 -0.44 -0.03 0.00 0.10 0.00 0.00 34.13 33.82 2a7y s GLU 47 CO 0.17 -0.18 0.28 0.99 0.02 0.00 0.00 175.26 176.54 2a7y s THR 48 N 1.22 0.03 -0.04 3.63 2.01 0.53 -4.92 115.64 118.11 2a7y s THR 48 Ca -0.07 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 59.92 2a7y s THR 48 Cb -0.13 -2.48 0.03 0.00 0.01 0.00 0.00 72.50 69.92 2a7y s THR 48 CO -0.02 0.00 0.03 -0.89 -0.69 0.00 0.00 174.62 173.04 2a7y s THR 49 N -3.38 0.05 0.14 -0.82 2.01 -1.26 -1.16 115.64 111.22 2a7y s THR 49 Ca 0.40 0.24 -0.00 0.00 0.31 0.00 0.00 61.69 62.63 2a7y s THR 49 Cb 0.02 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.27 2a7y s THR 49 CO 0.28 0.16 0.05 0.54 -0.69 0.00 0.00 174.62 174.95 2a7y s VAL 50 N 1.54 0.23 -0.29 3.82 0.11 -1.01 -4.97 120.40 119.82 2a7y s VAL 50 Ca -0.03 -1.93 -0.03 0.00 -2.93 0.00 0.00 61.98 57.06 2a7y s VAL 50 Cb -0.13 -2.07 0.10 0.00 -1.53 0.00 0.00 36.38 32.76 2a7y s VAL 50 CO -0.03 -0.46 0.13 -0.31 -3.33 0.00 0.00 175.10 171.09 2a7y s TYR 51 N -3.96 0.54 -0.25 1.54 1.51 -1.26 -2.46 117.35 113.01 2a7y s TYR 51 Ca 0.24 -1.03 -0.29 0.00 -1.01 0.00 0.00 57.07 54.99 2a7y s TYR 51 Cb 0.07 -1.03 -0.02 0.00 -0.11 0.00 0.00 41.96 40.87 2a7y s TYR 51 CO 0.02 -0.84 1.58 -1.25 -1.11 0.00 0.00 175.55 173.95 2a7y s PRO 52 N 2.01 3.76 -1.21 -1.71 0.04 -1.26 -4.93 135.00 131.69 2a7y s PRO 52 Ca 0.09 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 62.47 2a7y s PRO 52 Cb -0.16 -4.03 0.02 0.00 0.04 0.00 0.00 34.50 30.37 2a7y s PRO 52 CO -0.35 -1.34 1.76 0.20 0.04 0.00 0.00 177.00 177.31 2a7y s GLY 53 N 4.19 1.17 0.00 0.56 0.00 -1.26 -4.79 107.32 107.19 2a7y s GLY 53 Ca 0.70 -2.58 0.00 0.00 0.00 0.00 0.00 44.72 42.84 2a7y s GLY 53 CO 0.29 2.96 0.00 -1.26 0.00 0.00 0.00 173.10 175.09 2a7y n SER 54 N 10.16 0.00 0.14 1.64 2.88 -1.26 -4.95 113.62 122.23 2a7y n SER 54 Ca 0.45 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.12 2a7y n SER 54 Cb 0.47 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 64.42 2a7y n SER 54 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2a7y h ASP 55 N 0.00 0.00 -4.05 -3.46 3.58 -1.94 -3.49 116.42 107.07 2a7y h ASP 55 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2a7y h ASP 55 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2a7y h ASP 55 CO 0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 2a7y n ALA 56 N -1.80 0.00 -2.22 -0.78 0.00 -1.26 -1.10 120.51 113.35 2a7y n ALA 56 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 2a7y n ALA 56 Cb 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.62 2a7y n ALA 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2a7y s VAL 57 N -2.79 0.10 -0.03 0.00 1.01 0.52 -4.40 120.40 114.81 2a7y s VAL 57 Ca 0.00 -2.00 -0.00 0.00 0.00 0.00 0.00 61.98 59.98 2a7y s VAL 57 Cb 0.00 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.88 2a7y s VAL 57 CO 0.00 0.00 0.02 -0.69 0.00 0.00 0.00 175.10 174.43 2a7y s VAL 58 N -4.07 0.09 0.31 2.92 1.01 -1.25 -2.18 120.40 117.22 2a7y s VAL 58 Ca 0.39 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.58 2a7y s VAL 58 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 2a7y s VAL 58 CO 0.13 0.14 0.23 0.68 0.00 0.00 0.00 175.10 176.27 2a7y s VAL 59 N 1.24 0.07 0.00 2.92 -7.23 -0.38 -4.93 120.40 112.09 2a7y s VAL 59 Ca -0.07 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 2a7y s VAL 59 Cb -0.13 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.32 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 -0.56 0.00 -0.09 5.32 -2.24 -1.26 -1.49 114.28 113.96 2a7y n THR 60 Ca 0.05 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.76 2a7y n THR 60 Cb 0.63 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.36 0.39 6.98 0.00 -1.99 -2.58 119.26 123.42 2a7y h ALA 61 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2a7y h ALA 61 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2a7y h ALA 61 CO 0.00 -0.30 -0.31 1.79 0.00 0.00 0.00 179.25 180.43 2a7y h THR 62 N 0.23 0.36 -0.41 0.00 1.35 -2.03 -2.17 112.91 110.23 2a7y h THR 62 Ca 0.15 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.10 2a7y h THR 62 Cb 0.13 0.36 -0.02 0.00 -1.73 0.00 0.00 68.15 66.89 2a7y h THR 62 CO -0.16 0.00 0.29 -0.33 -0.25 0.00 0.00 175.52 175.07 2a7y h GLU 63 N -0.70 0.16 -0.94 4.72 4.39 -1.96 -2.38 114.58 117.87 2a7y h GLU 63 Ca -0.03 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.72 2a7y h GLU 63 Cb 0.61 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.16 2a7y h GLU 63 CO -0.01 0.10 0.60 1.25 -1.16 0.00 0.00 179.01 179.79 2a7y h HIS 64 N 0.16 1.11 0.00 4.33 -0.00 -0.97 -2.82 115.15 116.96 2a7y h HIS 64 Ca 0.19 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 2a7y h HIS 64 Cb 0.56 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 2a7y h HIS 64 CO -0.00 0.58 0.00 0.00 -0.00 0.00 0.00 177.93 178.51 2a7y n ALA 65 N -2.36 -0.13 0.41 5.26 0.00 -0.90 -1.25 120.51 121.55 2a7y n ALA 65 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.39 2a7y n ALA 65 Cb 0.17 0.04 -0.10 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.13 0.40 0.00 4.11 -1.77 -2.72 114.58 113.47 2a7y h GLU 66 Ca 0.00 0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 2a7y h GLU 66 Cb 0.00 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2a7y h GLU 66 CO 0.00 -0.75 -0.34 0.00 0.07 0.00 0.00 179.01 177.99 2a7y h ALA 67 N -1.18 -0.76 -0.59 1.06 0.00 -1.62 -2.44 119.26 113.72 2a7y h ALA 67 Ca -0.10 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.75 2a7y h ALA 67 Cb 0.94 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 2a7y h ALA 67 CO 0.09 -0.96 0.39 1.49 0.00 0.00 0.00 179.25 180.27 2a7y h GLU 68 N -0.75 0.50 0.30 0.00 4.81 -1.24 0.22 114.58 118.42 2a7y h GLU 68 Ca -0.03 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2a7y h GLU 68 Cb 0.65 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 2a7y h GLU 68 CO -0.02 0.33 -0.21 0.87 -0.73 0.00 0.00 179.01 179.25 2a7y h LYS 69 N 0.51 -0.46 0.20 1.92 1.57 -1.11 0.13 116.57 119.34 2a7y h LYS 69 Ca 0.26 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2a7y h LYS 69 Cb 0.37 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2a7y h LYS 69 CO -0.08 -0.31 -0.21 0.00 -0.57 0.00 0.00 179.45 178.28 2a7y h ARG 70 N -0.48 -0.43 -0.53 3.15 3.08 -1.21 -2.74 114.38 115.22 2a7y h ARG 70 Ca -0.04 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.09 2a7y h ARG 70 Cb 0.39 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.50 2a7y h ARG 70 CO 0.02 -0.29 0.28 0.00 -1.07 0.00 0.00 179.97 178.91 2a7y h ALA 71 N 0.28 0.69 -0.16 0.04 0.00 -0.63 -1.86 119.26 117.62 2a7y h ALA 71 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2a7y h ALA 71 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2a7y h ALA 71 CO -0.06 -0.06 -0.36 0.00 0.00 0.00 0.00 179.25 178.77 2a7y h ALA 72 N 1.28 1.09 -0.90 0.00 0.00 -0.70 0.19 119.26 120.23 2a7y h ALA 72 Ca 0.23 -0.39 0.15 0.00 0.00 0.00 0.00 54.91 54.90 2a7y h ALA 72 Cb 0.14 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 2a7y h ALA 72 CO -0.16 0.58 0.58 0.00 0.00 0.00 0.00 179.25 180.25 2a7y h ALA 73 N 1.34 1.83 0.07 0.00 0.00 -1.03 -1.40 119.26 120.08 2a7y h ALA 73 Ca 0.03 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2a7y h ALA 73 Cb 0.77 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.45 2a7y h ALA 73 CO 0.06 -0.08 -0.61 0.00 0.00 0.00 0.00 179.25 178.62 2a7y h ARG 74 N 0.69 0.15 -0.52 0.00 3.08 -1.00 -3.34 114.38 113.44 2a7y h ARG 74 Ca 0.46 -0.26 0.10 0.00 0.07 0.00 0.00 59.98 60.35 2a7y h ARG 74 Cb 0.74 0.10 -0.10 0.00 0.08 0.00 0.00 29.97 30.78 2a7y h ARG 74 CO -0.21 1.12 -0.21 0.00 -1.07 0.00 0.00 179.97 179.60 2a7y h ALA 75 N -0.01 0.18 -0.64 0.04 0.00 -0.28 0.10 119.26 118.65 2a7y h ALA 75 Ca -0.13 0.18 -0.39 0.00 0.00 0.00 0.00 54.91 54.58 2a7y h ALA 75 Cb 1.38 0.54 -0.19 0.00 0.00 0.00 0.00 17.79 19.52 2a7y h ALA 75 CO 0.05 -0.54 0.50 0.41 0.00 0.00 0.00 179.25 179.67 2a7y n GLY 76 N -1.41 4.17 1.04 0.00 0.00 -0.56 -3.45 105.19 104.99 2a7y n GLY 76 Ca 0.05 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2a7y n GLY 76 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2a7y n HIS 77 N -0.29 0.00 1.35 1.61 -0.00 0.24 -4.77 115.22 113.35 2a7y n HIS 77 Ca 0.40 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 58.25 2a7y n HIS 77 Cb 0.91 0.16 0.49 0.00 -0.00 0.00 0.00 29.99 31.54 2a7y n HIS 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2a7y n ALA 78 N -2.59 2.90 -2.39 1.57 0.00 -0.57 -4.88 120.51 114.55 2a7y n ALA 78 Ca 0.00 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 2a7y n ALA 78 Cb 0.29 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 2a7y n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a7y s ALA 79 N -2.42 3.42 -2.07 0.00 0.00 -1.22 -5.12 121.76 114.34 2a7y s ALA 79 Ca 0.28 0.88 0.17 0.00 0.00 0.00 0.00 51.96 53.28 2a7y s ALA 79 Cb 0.20 -3.46 0.13 0.00 0.00 0.00 0.00 23.12 19.99 2a7y s ALA 79 CO 0.48 -0.48 1.03 -2.37 0.00 0.00 0.00 175.76 174.42