#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 -0.16 0.17 1.12 3.76 -1.25 -4.82 115.29 114.10 2a7y s HIS 2 Ca 0.00 0.46 0.01 0.00 -0.15 0.00 0.00 55.06 55.38 2a7y s HIS 2 Cb 0.00 -0.06 -0.04 0.00 1.11 0.00 0.00 32.58 33.59 2a7y s HIS 2 CO 0.00 -0.15 0.32 0.00 -0.85 0.00 0.00 174.74 174.06 2a7y s ALA 3 N 0.97 3.92 0.15 -1.40 0.00 0.11 -4.76 121.76 120.75 2a7y s ALA 3 Ca -0.07 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 50.94 2a7y s ALA 3 Cb -0.10 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 2a7y s ALA 3 CO -0.05 0.51 -0.01 0.15 0.00 0.00 0.00 175.76 176.36 2a7y s LYS 4 N -3.26 1.03 -0.15 0.00 1.02 -1.26 -4.23 119.74 112.89 2a7y s LYS 4 Ca 0.36 -1.48 -0.08 0.00 0.02 0.00 0.00 55.97 54.79 2a7y s LYS 4 Cb -0.11 -0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 2a7y s LYS 4 CO 0.29 -0.12 0.13 0.08 -0.92 0.00 0.00 175.35 174.81 2a7y s VAL 5 N -3.68 5.44 0.00 3.17 1.01 -1.26 -4.09 120.40 120.99 2a7y s VAL 5 Ca 0.21 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2a7y s VAL 5 Cb 0.06 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2a7y s VAL 5 CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2a7y n GLY 6 N 2.63 0.72 3.64 4.51 0.00 0.32 -5.00 105.19 112.01 2a7y n GLY 6 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2a7y n GLY 6 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2a7y s ASP 7 N -2.60 3.92 0.06 1.61 1.11 -1.24 -4.96 116.67 114.57 2a7y s ASP 7 Ca 0.00 -1.42 0.03 0.00 0.18 0.00 0.00 52.55 51.34 2a7y s ASP 7 Cb 0.00 -0.25 -0.04 0.00 1.07 0.00 0.00 42.92 43.70 2a7y s ASP 7 CO 0.00 -0.52 0.05 -0.31 1.18 0.00 0.00 175.17 175.58 2a7y s TYR 8 N -2.74 3.15 -0.13 4.23 2.02 0.35 -0.39 117.35 123.84 2a7y s TYR 8 Ca 0.30 0.08 -0.09 0.00 -0.37 0.00 0.00 57.07 56.99 2a7y s TYR 8 Cb 0.09 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.97 2a7y s TYR 8 CO 0.16 0.51 0.18 -1.17 -1.57 0.00 0.00 175.55 173.65 2a7y s LEU 9 N -2.16 4.34 -0.02 -1.29 0.20 0.69 -0.39 118.68 120.06 2a7y s LEU 9 Ca 0.26 0.46 -0.01 0.00 0.69 0.00 0.00 54.13 55.53 2a7y s LEU 9 Cb -0.12 -2.15 0.00 0.00 -0.43 0.00 0.00 46.19 43.50 2a7y s LEU 9 CO 0.18 0.32 0.04 -0.69 -0.29 0.00 0.00 176.35 175.92 2a7y s VAL 10 N -0.57 -0.00 -0.39 1.68 1.01 -0.95 -2.39 120.40 118.79 2a7y s VAL 10 Ca 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 2a7y s VAL 10 Cb -0.12 -0.07 0.09 0.00 0.00 0.00 0.00 36.38 36.28 2a7y s VAL 10 CO 0.03 0.00 0.18 -0.69 0.00 0.00 0.00 175.10 174.62 2a7y s VAL 11 N 0.05 3.51 -0.19 2.92 1.01 0.54 -0.28 120.40 127.96 2a7y s VAL 11 Ca -0.00 -1.71 0.22 0.00 0.00 0.00 0.00 61.98 60.48 2a7y s VAL 11 Cb -0.01 -3.24 -0.23 0.00 0.00 0.00 0.00 36.38 32.90 2a7y s VAL 11 CO -0.00 -0.51 0.69 2.29 0.00 0.00 0.00 175.10 177.57 2a7y n LYS 12 N 4.70 0.57 0.00 2.72 2.85 -1.24 -1.88 118.16 125.88 2a7y n LYS 12 Ca -0.07 -0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 2a7y n LYS 12 Cb 0.42 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.20 2a7y n LYS 12 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2a7y n GLY 13 N 1.27 1.42 1.31 2.58 0.00 -1.26 -4.43 105.19 106.09 2a7y n GLY 13 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 0.00 0.04 2.61 5.66 -1.26 -4.82 114.28 116.51 2a7y n THR 14 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2a7y n THR 14 Cb 0.00 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.26 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 -2.36 0.00 1.75 1.09 -2.24 -1.26 -4.94 114.28 106.32 2a7y n THR 15 Ca 0.00 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 2a7y n THR 15 Cb 0.00 -0.09 0.74 0.00 -2.10 0.00 0.00 70.33 68.88 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 -2.74 0.00 -2.50 4.28 -2.24 -1.26 -4.84 114.28 104.98 2a7y n THR 16 Ca 0.00 -0.12 -0.23 0.00 -2.27 0.00 0.00 64.05 61.43 2a7y n THR 16 Cb 0.00 -0.01 0.06 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.00 2.25 1.03 -0.78 0.41 -1.26 -5.10 118.70 113.25 2a7y s GLU 17 Ca 0.43 -0.71 -0.17 0.00 -0.41 0.00 0.00 54.97 54.11 2a7y s GLU 17 Cb 0.21 -2.37 0.23 0.00 -1.78 0.00 0.00 34.13 30.43 2a7y s GLU 17 CO 0.35 -1.02 1.28 -0.98 -0.49 0.00 0.00 175.26 174.41 2a7y s ARG 18 N -4.98 0.07 -0.74 1.61 1.70 -1.26 -4.96 118.95 110.39 2a7y s ARG 18 Ca 0.60 -0.38 -0.12 0.00 -0.47 0.00 0.00 55.73 55.36 2a7y s ARG 18 Cb -0.09 -1.78 0.19 0.00 -0.57 0.00 0.00 34.95 32.70 2a7y s ARG 18 CO 0.41 -2.80 0.66 -3.38 -1.08 0.00 0.00 175.30 169.11 2a7y s HIS 19 N -3.71 3.62 0.00 5.89 0.00 -1.26 -4.25 115.29 115.58 2a7y s HIS 19 Ca 0.74 -1.99 0.00 0.00 -3.00 0.00 0.00 55.06 50.82 2a7y s HIS 19 Cb -0.04 -3.71 0.00 0.00 -4.00 0.00 0.00 32.58 24.83 2a7y s HIS 19 CO 0.54 -0.97 0.00 -3.47 -1.00 0.00 0.00 174.74 169.84 2a7y n ASP 20 N 4.14 0.00 -3.08 7.38 -0.08 -0.79 -4.86 116.55 119.27 2a7y n ASP 20 Ca 0.08 -1.00 -0.00 0.00 -1.51 0.00 0.00 54.79 52.36 2a7y n ASP 20 Cb 0.44 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.90 2a7y n ASP 20 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2a7y n GLN 21 N -1.00 -1.10 -4.25 -0.67 3.00 -1.21 -0.34 117.38 111.81 2a7y n GLN 21 Ca 0.00 1.25 -0.18 0.00 -0.01 0.00 0.00 57.00 58.06 2a7y n GLN 21 Cb 0.00 -1.64 -0.15 0.00 0.00 0.00 0.00 30.24 28.45 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 -0.80 0.66 0.12 1.08 2.46 -1.19 -2.73 115.29 114.89 2a7y s HIS 22 Ca -0.01 -0.14 -0.24 0.00 0.47 0.00 0.00 55.06 55.14 2a7y s HIS 22 Cb 0.00 -0.46 0.08 0.00 -0.13 0.00 0.00 32.58 32.07 2a7y s HIS 22 CO 0.13 -0.05 1.11 0.00 -2.47 0.00 0.00 174.74 173.46 2a7y n ALA 23 N 3.13 -2.97 -2.77 1.58 0.00 -1.01 -3.83 120.51 114.64 2a7y n ALA 23 Ca -0.16 -0.96 -0.37 0.00 0.00 0.00 0.00 53.44 51.96 2a7y n ALA 23 Cb 0.56 0.44 -0.07 0.00 0.00 0.00 0.00 19.45 20.39 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 -2.04 3.80 -0.46 0.00 2.12 0.44 -0.22 118.70 122.34 2a7y s GLU 24 Ca 0.25 -0.05 -0.17 0.00 0.36 0.00 0.00 54.97 55.36 2a7y s GLU 24 Cb -0.02 -3.28 0.05 0.00 0.26 0.00 0.00 34.13 31.13 2a7y s GLU 24 CO 0.04 0.57 0.47 0.42 -0.54 0.00 0.00 175.26 176.22 2a7y s ILE 25 N -0.48 5.08 -0.07 -3.70 1.01 0.48 -0.42 121.20 123.10 2a7y s ILE 25 Ca 0.15 -0.63 0.13 0.00 0.00 0.00 0.00 60.65 60.29 2a7y s ILE 25 Cb -0.12 -4.14 -0.19 0.00 0.01 0.00 0.00 42.46 38.02 2a7y s ILE 25 CO 0.04 -0.58 0.18 2.30 0.00 0.00 0.00 174.94 176.87 2a7y n ILE 26 N 5.40 0.43 -3.87 2.92 -0.00 -1.25 -0.52 119.36 122.48 2a7y n ILE 26 Ca -0.09 -0.43 -0.34 0.00 -0.00 0.00 0.00 62.75 61.89 2a7y n ILE 26 Cb 0.46 -0.23 -0.13 0.00 -0.00 0.00 0.00 39.64 39.74 2a7y n ILE 26 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 2a7y s GLU 27 N -2.64 1.81 -0.21 6.28 0.41 -1.20 -4.81 118.70 118.34 2a7y s GLU 27 Ca -0.06 -1.85 -0.06 0.00 -0.41 0.00 0.00 54.97 52.59 2a7y s GLU 27 Cb 0.06 -3.44 -0.03 0.00 -1.78 0.00 0.00 34.13 28.94 2a7y s GLU 27 CO 0.55 -1.03 0.03 0.08 -0.49 0.00 0.00 175.26 174.41 2a7y s VAL 28 N 1.03 4.25 0.19 2.63 1.01 -1.26 -2.52 120.40 125.73 2a7y s VAL 28 Ca 0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 2a7y s VAL 28 Cb -0.21 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 2a7y s VAL 28 CO -0.06 0.41 1.56 0.03 0.00 0.00 0.00 175.10 177.04 2a7y h ARG 29 N 7.51 0.76 -3.29 2.72 3.08 -1.86 -3.44 114.38 119.87 2a7y h ARG 29 Ca -0.36 -0.37 -0.16 0.00 0.07 0.00 0.00 59.98 59.16 2a7y h ARG 29 Cb 1.18 -0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.99 2a7y h ARG 29 CO 0.62 0.99 -0.45 -1.54 -1.07 0.00 0.00 179.97 178.52 2a7y s SER 30 N -6.82 -0.14 -1.01 7.04 1.04 -1.26 -5.07 113.70 107.48 2a7y s SER 30 Ca -0.09 0.18 -0.21 0.00 0.48 0.00 0.00 55.95 56.30 2a7y s SER 30 Cb 0.12 0.35 -0.10 0.00 0.10 0.00 0.00 66.02 66.49 2a7y s SER 30 CO 0.85 -0.22 1.94 0.00 0.98 0.00 0.00 173.24 176.78 2a7y n ALA 31 N 2.23 3.05 0.08 5.32 0.00 -1.26 -3.19 120.51 126.74 2a7y n ALA 31 Ca -0.17 -3.32 0.00 0.00 0.00 0.00 0.00 53.44 49.95 2a7y n ALA 31 Cb 0.57 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.45 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 9.67 -1.44 0.00 0.00 2.03 -1.26 -4.95 116.55 120.59 2a7y n ASP 32 Ca 0.48 0.52 0.00 0.00 0.52 0.00 0.00 54.79 56.31 2a7y n ASP 32 Cb 0.43 1.60 0.00 0.00 -0.72 0.00 0.00 41.12 42.43 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 -1.22 0.55 2.71 0.27 0.00 -1.19 0.04 105.19 106.34 2a7y n GLY 33 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2a7y n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a7y s SER 34 N 0.00 3.87 0.65 1.61 1.04 -1.26 -5.00 113.70 114.61 2a7y s SER 34 Ca 0.00 -1.90 -0.18 0.00 0.48 0.00 0.00 55.95 54.36 2a7y s SER 34 Cb 0.00 -0.87 -0.01 0.00 0.10 0.00 0.00 66.02 65.24 2a7y s SER 34 CO 0.00 -0.38 1.26 -2.84 0.98 0.00 0.00 173.24 172.27 2a7y s PRO 35 N 1.30 2.58 0.83 4.02 0.02 -1.26 -4.52 135.00 137.97 2a7y s PRO 35 Ca 0.12 1.96 -0.12 0.00 0.02 0.00 0.00 61.00 62.98 2a7y s PRO 35 Cb -0.19 -1.86 0.09 0.00 0.02 0.00 0.00 34.50 32.56 2a7y s PRO 35 CO -0.18 -1.55 1.15 -1.25 -0.33 0.00 0.00 177.00 174.85 2a7y s PRO 36 N -3.45 1.78 0.19 5.54 0.04 -1.26 -5.14 135.00 132.71 2a7y s PRO 36 Ca 0.80 0.23 0.09 0.00 0.04 0.00 0.00 61.00 62.16 2a7y s PRO 36 Cb -0.35 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 2a7y s PRO 36 CO 0.39 -1.74 -0.06 0.71 0.04 0.00 0.00 177.00 176.33 2a7y s TYR 37 N -3.44 2.68 -0.52 0.56 2.02 -1.05 -4.77 117.35 112.82 2a7y s TYR 37 Ca 0.62 -0.21 -0.17 0.00 -0.37 0.00 0.00 57.07 56.95 2a7y s TYR 37 Cb -0.12 -1.28 0.10 0.00 -0.40 0.00 0.00 41.96 40.25 2a7y s TYR 37 CO 0.51 0.54 0.51 0.08 -1.57 0.00 0.00 175.55 175.61 2a7y s VAL 38 N -1.83 5.13 0.22 0.71 1.01 -1.05 -1.97 120.40 122.63 2a7y s VAL 38 Ca 0.27 -1.21 0.06 0.00 0.00 0.00 0.00 61.98 61.10 2a7y s VAL 38 Cb -0.08 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2a7y s VAL 38 CO 0.17 -0.81 0.16 0.54 0.00 0.00 0.00 175.10 175.16 2a7y s VAL 39 N 1.86 4.41 -0.31 2.92 0.11 0.49 -3.22 120.40 126.66 2a7y s VAL 39 Ca 0.06 -1.30 -0.01 0.00 -2.93 0.00 0.00 61.98 57.80 2a7y s VAL 39 Cb -0.26 -3.33 0.10 0.00 -1.53 0.00 0.00 36.38 31.35 2a7y s VAL 39 CO 0.05 -0.26 0.10 -0.60 -3.33 0.00 0.00 175.10 171.06 2a7y s ARG 40 N -3.54 0.74 -1.40 1.54 3.52 0.44 -1.22 118.95 119.02 2a7y s ARG 40 Ca 0.32 -1.10 -0.14 0.00 -0.13 0.00 0.00 55.73 54.68 2a7y s ARG 40 Cb -0.09 -2.03 0.07 0.00 -1.56 0.00 0.00 34.95 31.34 2a7y s ARG 40 CO 0.24 -0.99 2.09 0.91 -0.81 0.00 0.00 175.30 176.74 2a7y n TRP 41 N 4.82 3.64 0.11 5.12 7.02 0.36 -0.42 117.44 138.09 2a7y n TRP 41 Ca -0.02 -2.94 0.05 0.00 -1.02 0.00 0.00 57.50 53.57 2a7y n TRP 41 Cb 0.42 -2.46 0.01 0.00 -2.42 0.00 0.00 31.31 26.85 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 10.00 0.00 -0.18 -0.99 8.10 -1.95 0.38 115.31 130.67 2a7y h LEU 42 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.51 2a7y h LEU 42 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.90 2a7y h LEU 42 CO 1.77 0.37 -0.16 0.55 -4.11 0.00 0.00 178.44 176.86 2a7y n VAL 43 N -3.01 0.00 -0.08 0.15 3.14 -1.26 -3.86 118.33 113.41 2a7y n VAL 43 Ca -0.02 -0.05 -0.08 0.00 -2.96 0.00 0.00 64.34 61.24 2a7y n VAL 43 Cb 0.71 -0.06 -0.03 0.00 -1.06 0.00 0.00 33.84 33.40 2a7y n VAL 43 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2a7y n ASN 44 N -1.09 1.63 0.00 6.55 3.02 -1.08 -4.87 115.26 119.41 2a7y n ASN 44 Ca 0.12 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 2a7y n ASN 44 Cb 0.30 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 2a7y n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a7y n GLY 45 N 1.47 0.16 3.55 7.41 0.00 0.11 -5.14 105.19 112.75 2a7y n GLY 45 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.24 -0.20 -0.14 1.61 3.76 -0.11 -5.02 115.29 114.96 2a7y s HIS 46 Ca 0.00 -0.13 -0.09 0.00 -0.15 0.00 0.00 55.06 54.69 2a7y s HIS 46 Cb 0.00 0.47 0.05 0.00 1.11 0.00 0.00 32.58 34.20 2a7y s HIS 46 CO 0.00 -0.95 0.34 -2.00 -0.85 0.00 0.00 174.74 171.28 2a7y s GLU 47 N -3.86 0.34 0.20 1.40 -6.30 -1.26 -0.49 118.70 108.73 2a7y s GLU 47 Ca 0.08 0.61 -0.22 0.00 -2.50 0.00 0.00 54.97 52.94 2a7y s GLU 47 Cb -0.02 0.03 0.07 0.00 0.00 0.00 0.00 34.13 34.21 2a7y s GLU 47 CO -0.03 -0.12 1.01 -0.08 0.02 0.00 0.00 175.26 176.06 2a7y s THR 48 N 0.93 0.00 -0.25 -1.70 -1.32 -0.36 -4.99 115.64 107.96 2a7y s THR 48 Ca -0.06 -0.63 -0.12 0.00 -1.21 0.00 0.00 61.69 59.68 2a7y s THR 48 Cb -0.07 -2.78 -0.05 0.00 -1.51 0.00 0.00 72.50 68.09 2a7y s THR 48 CO -0.07 0.00 0.22 -0.89 -2.21 0.00 0.00 174.62 171.67 2a7y s THR 49 N -2.31 5.31 0.13 5.08 2.01 -1.26 -0.38 115.64 124.22 2a7y s THR 49 Ca 0.20 0.28 0.06 0.00 0.31 0.00 0.00 61.69 62.54 2a7y s THR 49 Cb -0.03 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 2a7y s THR 49 CO 0.05 0.29 -0.13 0.54 -0.69 0.00 0.00 174.62 174.68 2a7y s VAL 50 N 1.40 1.30 -0.47 3.82 0.11 -0.83 -4.95 120.40 120.78 2a7y s VAL 50 Ca 0.09 -1.79 -0.09 0.00 -2.93 0.00 0.00 61.98 57.26 2a7y s VAL 50 Cb -0.15 -1.60 0.12 0.00 -1.53 0.00 0.00 36.38 33.23 2a7y s VAL 50 CO 0.07 -0.49 0.34 -0.31 -3.33 0.00 0.00 175.10 171.38 2a7y s TYR 51 N -2.40 3.44 0.35 1.54 1.51 -1.26 -2.52 117.35 118.01 2a7y s TYR 51 Ca 0.11 -1.92 0.11 0.00 -1.01 0.00 0.00 57.07 54.36 2a7y s TYR 51 Cb -0.03 -3.49 0.64 0.00 -0.11 0.00 0.00 41.96 38.97 2a7y s TYR 51 CO 0.03 -0.99 1.79 -1.00 -1.11 0.00 0.00 175.55 174.26 2a7y h PRO 52 N 8.42 0.05 0.00 -1.71 0.13 -1.96 -3.49 132.00 133.43 2a7y h PRO 52 Ca -0.20 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2a7y h PRO 52 Cb 1.07 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2a7y h PRO 52 CO 0.85 0.44 0.00 0.41 -0.23 0.00 0.00 178.00 179.47 2a7y n GLY 53 N -0.36 0.53 3.44 1.56 0.00 -1.26 -4.92 105.19 104.18 2a7y n GLY 53 Ca -0.02 -1.43 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 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 -4.00 2.94 -1.15 1.61 0.01 -1.26 -4.83 113.70 107.03 2a7y s SER 54 Ca 0.00 -1.17 -0.02 0.00 1.31 0.00 0.00 55.95 56.06 2a7y s SER 54 Cb 0.00 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.00 2a7y s SER 54 CO 0.00 -0.29 0.96 0.47 0.41 0.00 0.00 173.24 174.79 2a7y n ASP 55 N -0.61 -3.74 -4.59 2.44 8.00 -1.26 -4.67 116.55 112.12 2a7y n ASP 55 Ca -0.05 -0.66 -0.41 0.00 0.71 0.00 0.00 54.79 54.37 2a7y n ASP 55 Cb 0.63 -5.11 -0.07 0.00 -0.02 0.00 0.00 41.12 36.55 2a7y n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a7y s ALA 56 N -3.38 3.53 0.43 2.24 0.00 -1.26 -3.69 121.76 119.63 2a7y s ALA 56 Ca 0.17 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.49 2a7y s ALA 56 Cb -0.02 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 20.06 2a7y s ALA 56 CO 0.74 -1.04 0.59 0.14 0.00 0.00 0.00 175.76 176.18 2a7y s VAL 57 N 2.52 3.08 -0.25 0.00 -7.23 0.61 -4.79 120.40 114.34 2a7y s VAL 57 Ca 0.23 -0.95 -0.03 0.00 -1.81 0.00 0.00 61.98 59.42 2a7y s VAL 57 Cb -0.15 -3.05 0.02 0.00 0.56 0.00 0.00 36.38 33.76 2a7y s VAL 57 CO 0.12 -0.02 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.16 2a7y s VAL 58 N -2.39 3.16 0.54 1.32 1.01 -1.26 -2.24 120.40 120.54 2a7y s VAL 58 Ca 0.54 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.71 2a7y s VAL 58 Cb -0.10 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.74 2a7y s VAL 58 CO 0.34 0.22 0.42 0.68 0.00 0.00 0.00 175.10 176.76 2a7y s VAL 59 N 1.38 1.71 0.00 2.92 -7.23 0.48 -4.92 120.40 114.74 2a7y s VAL 59 Ca 0.02 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 2a7y s VAL 59 Cb -0.16 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.61 2a7y s VAL 59 CO -0.03 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.11 2a7y n THR 60 N -1.78 0.00 -0.20 5.32 -2.24 -1.26 -0.50 114.28 113.61 2a7y n THR 60 Ca -0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2a7y n THR 60 Cb 0.64 0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.99 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 0.73 0.06 6.98 0.00 -1.98 -0.94 119.26 125.12 2a7y h ALA 61 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2a7y h ALA 61 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2a7y h ALA 61 CO 0.00 -0.31 -0.03 1.79 0.00 0.00 0.00 179.25 180.70 2a7y h THR 62 N 0.26 1.07 0.00 0.00 1.35 -2.02 -1.11 112.91 112.46 2a7y h THR 62 Ca 0.32 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2a7y h THR 62 Cb 0.49 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 2a7y h THR 62 CO -0.41 0.11 0.00 -0.33 -0.25 0.00 0.00 175.52 174.64 2a7y h GLU 63 N -0.29 0.00 0.00 4.72 4.39 -1.93 -2.83 114.58 118.64 2a7y h GLU 63 Ca -0.01 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 2a7y h GLU 63 Cb 0.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2a7y h GLU 63 CO 0.01 0.00 -0.87 1.25 -1.16 0.00 0.00 179.01 178.24 2a7y h HIS 64 N 0.00 0.28 0.00 4.33 -0.00 0.15 -3.22 115.15 116.70 2a7y h HIS 64 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 60.37 60.21 2a7y h HIS 64 Cb 0.15 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.53 2a7y h HIS 64 CO 0.00 0.97 0.00 0.00 -0.00 0.00 0.00 177.93 178.90 2a7y n ALA 65 N -2.46 -0.11 -0.05 5.26 0.00 -1.07 -1.96 120.51 120.12 2a7y n ALA 65 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 2a7y n ALA 65 Cb 0.81 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.21 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 0.29 -0.51 0.00 -0.00 -1.77 -2.83 114.58 109.76 2a7y h GLU 66 Ca 0.00 -0.06 -0.10 0.00 -0.00 0.00 0.00 59.36 59.20 2a7y h GLU 66 Cb 0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 28.75 28.69 2a7y h GLU 66 CO 0.00 0.39 -0.08 0.00 -0.00 0.00 0.00 179.01 179.31 2a7y h ALA 67 N 0.89 0.88 -0.61 1.06 0.00 -1.72 -2.82 119.26 116.94 2a7y h ALA 67 Ca 0.06 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2a7y h ALA 67 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2a7y h ALA 67 CO -0.00 0.64 -0.01 1.49 0.00 0.00 0.00 179.25 181.37 2a7y h GLU 68 N 0.84 1.08 0.54 0.00 4.81 -1.27 0.15 114.58 120.73 2a7y h GLU 68 Ca 0.14 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 2a7y h GLU 68 Cb 0.61 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2a7y h GLU 68 CO 0.04 1.06 -0.34 0.87 -0.73 0.00 0.00 179.01 179.91 2a7y h LYS 69 N 0.98 -0.79 -0.57 1.92 1.57 -1.39 0.41 116.57 118.70 2a7y h LYS 69 Ca 0.17 0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 2a7y h LYS 69 Cb 0.58 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 2a7y h LYS 69 CO 0.03 -0.53 0.25 -0.09 -0.57 0.00 0.00 179.45 178.55 2a7y h ARG 70 N -0.82 0.84 0.00 3.15 1.12 -1.46 -2.80 114.38 114.41 2a7y h ARG 70 Ca -0.07 -0.14 0.00 0.00 -1.11 0.00 0.00 59.98 58.66 2a7y h ARG 70 Cb 0.66 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.47 2a7y h ARG 70 CO 0.07 0.70 -0.15 0.00 -3.11 0.00 0.00 179.97 177.48 2a7y h ALA 71 N 1.09 0.91 -0.07 2.80 0.00 -0.73 -2.36 119.26 120.91 2a7y h ALA 71 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 2a7y h ALA 71 Cb 0.16 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2a7y h ALA 71 CO -0.02 0.00 -0.90 0.00 0.00 0.00 0.00 179.25 178.33 2a7y h ALA 72 N 2.32 0.29 -0.89 0.00 0.00 -0.73 0.15 119.26 120.40 2a7y h ALA 72 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 54.91 54.28 2a7y h ALA 72 Cb 0.84 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2a7y h ALA 72 CO 0.00 0.71 0.59 0.00 0.00 0.00 0.00 179.25 180.55 2a7y h ALA 73 N 0.57 1.42 0.19 0.00 0.00 -1.24 -2.72 119.26 117.48 2a7y h ALA 73 Ca -0.08 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.46 2a7y h ALA 73 Cb 1.53 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 19.01 2a7y h ALA 73 CO 0.17 0.50 -1.51 -0.09 0.00 0.00 0.00 179.25 178.32 2a7y h ARG 74 N 1.14 0.40 0.17 0.00 1.12 -1.39 -3.24 114.38 112.58 2a7y h ARG 74 Ca 0.35 -0.68 0.01 0.00 -1.11 0.00 0.00 59.98 58.54 2a7y h ARG 74 Cb -0.02 0.26 -0.02 0.00 -0.01 0.00 0.00 29.97 30.17 2a7y h ARG 74 CO -0.10 1.31 -0.22 0.00 -3.11 0.00 0.00 179.97 177.86 2a7y h ALA 75 N 0.29 -0.41 -0.61 2.80 0.00 -0.60 -2.48 119.26 118.26 2a7y h ALA 75 Ca -0.25 -0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.33 2a7y h ALA 75 Cb 2.09 0.32 -0.16 0.00 0.00 0.00 0.00 17.79 20.04 2a7y h ALA 75 CO 0.22 -0.76 0.34 0.41 0.00 0.00 0.00 179.25 179.46 2a7y n GLY 76 N -1.34 3.42 3.56 0.00 0.00 -1.04 -4.68 105.19 105.12 2a7y n GLY 76 Ca -0.08 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 2a7y n GLY 76 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2a7y s HIS 77 N -2.23 2.38 -1.62 1.61 5.04 -0.94 -3.72 115.29 115.82 2a7y s HIS 77 Ca 0.38 -0.49 0.00 0.00 -1.54 0.00 0.00 55.06 53.42 2a7y s HIS 77 Cb 0.32 -4.60 0.00 0.00 0.04 0.00 0.00 32.58 28.34 2a7y s HIS 77 CO 0.08 -1.96 0.00 0.00 -2.34 0.00 0.00 174.74 170.53 2a7y n ALA 78 N 9.63 -0.27 0.22 1.58 0.00 -1.26 -4.86 120.51 125.55 2a7y n ALA 78 Ca 0.28 0.24 0.12 0.00 0.00 0.00 0.00 53.44 54.07 2a7y n ALA 78 Cb 0.50 -1.69 0.24 0.00 0.00 0.00 0.00 19.45 18.50 2a7y n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a7y h ALA 79 N 0.11 0.97 -0.03 0.00 0.00 -1.83 -3.55 119.26 114.93 2a7y h ALA 79 Ca -0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2a7y h ALA 79 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2a7y h ALA 79 CO 0.47 0.07 0.00 0.25 0.00 0.00 0.00 179.25 180.04