#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 0.83 -0.13 1.12 0.00 -1.26 -4.39 115.29 111.45 2a7y s HIS 2 Ca 0.00 -0.25 -0.24 0.00 -3.00 0.00 0.00 55.06 51.57 2a7y s HIS 2 Cb 0.00 -0.73 0.06 0.00 -4.00 0.00 0.00 32.58 27.91 2a7y s HIS 2 CO 0.00 -0.22 0.59 0.00 -1.00 0.00 0.00 174.74 174.11 2a7y s ALA 3 N 0.99 -1.49 0.23 -1.38 0.00 -1.26 -4.79 121.76 114.06 2a7y s ALA 3 Ca -0.10 1.35 -0.05 0.00 0.00 0.00 0.00 51.96 53.16 2a7y s ALA 3 Cb -0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2a7y s ALA 3 CO -0.00 -0.31 0.29 0.21 0.00 0.00 0.00 175.76 175.94 2a7y s LYS 4 N -0.50 1.40 0.45 0.00 2.20 -1.26 -4.67 119.74 117.36 2a7y s LYS 4 Ca -0.06 -1.52 -0.22 0.00 -0.36 0.00 0.00 55.97 53.80 2a7y s LYS 4 Cb -0.03 0.36 -0.08 0.00 -1.51 0.00 0.00 37.83 36.57 2a7y s LYS 4 CO 0.05 -0.52 1.10 0.54 -0.36 0.00 0.00 175.35 176.15 2a7y s VAL 5 N -4.00 3.45 0.00 4.02 0.11 -1.26 -3.68 120.40 119.05 2a7y s VAL 5 Ca 0.33 1.04 0.00 0.00 -2.93 0.00 0.00 61.98 60.42 2a7y s VAL 5 Cb 0.04 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 2a7y s VAL 5 CO 0.12 -0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 2a7y n GLY 6 N 0.25 0.60 3.48 6.54 0.00 -0.76 -5.01 105.19 110.28 2a7y n GLY 6 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.34 2.53 0.14 1.61 1.01 -1.24 -4.95 116.67 113.42 2a7y s ASP 7 Ca 0.00 -1.62 0.09 0.00 0.71 0.00 0.00 52.55 51.73 2a7y s ASP 7 Cb 0.00 0.41 -0.04 0.00 1.01 0.00 0.00 42.92 44.30 2a7y s ASP 7 CO 0.00 -0.88 -0.15 -0.31 0.21 0.00 0.00 175.17 174.04 2a7y s TYR 8 N -3.28 2.57 -0.05 4.23 1.51 0.46 -0.60 117.35 122.19 2a7y s TYR 8 Ca 0.27 -0.24 -0.07 0.00 -1.01 0.00 0.00 57.07 56.02 2a7y s TYR 8 Cb 0.04 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.52 2a7y s TYR 8 CO 0.15 0.44 0.21 -1.17 -1.11 0.00 0.00 175.55 174.07 2a7y s LEU 9 N -2.38 4.39 0.08 -1.29 0.20 0.67 -0.42 118.68 119.93 2a7y s LEU 9 Ca 0.21 0.53 0.03 0.00 0.69 0.00 0.00 54.13 55.58 2a7y s LEU 9 Cb -0.10 -2.38 -0.03 0.00 -0.43 0.00 0.00 46.19 43.25 2a7y s LEU 9 CO 0.12 0.33 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.74 2a7y s VAL 10 N -1.16 0.74 0.11 1.68 1.01 -0.12 -2.22 120.40 120.45 2a7y s VAL 10 Ca 0.21 -1.54 0.08 0.00 0.00 0.00 0.00 61.98 60.74 2a7y s VAL 10 Cb -0.13 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2a7y s VAL 10 CO 0.11 -0.59 -0.21 0.68 0.00 0.00 0.00 175.10 175.09 2a7y s VAL 11 N -2.42 1.75 0.00 2.92 -7.23 0.12 -2.09 120.40 113.45 2a7y s VAL 11 Ca 0.02 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2a7y s VAL 11 Cb -0.03 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.31 2a7y s VAL 11 CO -0.01 -0.08 0.00 0.29 -0.31 0.00 0.00 175.10 174.99 2a7y n LYS 12 N 1.00 0.00 0.00 4.82 5.02 -1.23 -0.56 118.16 127.21 2a7y n LYS 12 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 2a7y n LYS 12 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 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 2.45 3.60 5.41 0.72 0.00 -1.26 -4.54 105.19 111.57 2a7y n GLY 13 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2a7y n GLY 13 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2a7y n THR 14 N 0.00 0.00 0.20 2.61 -1.04 -1.26 -3.18 114.28 111.61 2a7y n THR 14 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2a7y n THR 14 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2a7y n THR 14 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2a7y n THR 15 N 0.00 0.00 -0.35 12.58 -1.04 -1.26 -4.99 114.28 119.23 2a7y n THR 15 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 2a7y n THR 15 Cb 0.00 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 68.71 2a7y n THR 15 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2a7y n THR 16 N -3.31 1.24 -1.53 12.58 -2.24 -1.25 -5.01 114.28 114.76 2a7y n THR 16 Ca 0.00 -1.14 -0.30 0.00 -2.27 0.00 0.00 64.05 60.35 2a7y n THR 16 Cb 0.00 0.37 0.19 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.32 0.13 0.22 -0.78 0.41 -1.19 -4.95 118.70 111.22 2a7y s GLU 17 Ca 0.31 -0.11 -0.32 0.00 -0.41 0.00 0.00 54.97 54.44 2a7y s GLU 17 Cb 0.18 -1.76 -0.12 0.00 -1.78 0.00 0.00 34.13 30.65 2a7y s GLU 17 CO 0.18 -2.80 1.66 -2.13 -0.49 0.00 0.00 175.26 171.67 2a7y n ARG 18 N -4.11 2.61 -3.02 1.61 0.63 -1.26 -4.73 116.66 108.39 2a7y n ARG 18 Ca 0.12 0.94 -0.41 0.00 -0.92 0.00 0.00 57.85 57.58 2a7y n ARG 18 Cb 0.59 -2.75 -0.05 0.00 0.45 0.00 0.00 32.46 30.70 2a7y n ARG 18 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2a7y s HIS 19 N 0.83 3.38 0.30 -0.14 -3.43 -1.26 -4.12 115.29 110.85 2a7y s HIS 19 Ca 0.73 1.05 -0.09 0.00 -0.80 0.00 0.00 55.06 55.96 2a7y s HIS 19 Cb -0.54 -2.90 0.01 0.00 -1.43 0.00 0.00 32.58 27.72 2a7y s HIS 19 CO 0.37 -0.23 0.51 0.34 -2.00 0.00 0.00 174.74 173.74 2a7y s ASP 20 N 1.21 0.33 -0.13 7.38 2.15 0.27 -4.98 116.67 122.91 2a7y s ASP 20 Ca 0.32 -1.19 -0.09 0.00 0.43 0.00 0.00 52.55 52.02 2a7y s ASP 20 Cb -0.16 0.65 0.03 0.00 -0.30 0.00 0.00 42.92 43.14 2a7y s ASP 20 CO 0.11 -1.27 0.18 1.67 -0.17 0.00 0.00 175.17 175.68 2a7y n GLN 21 N -0.47 -3.44 -4.33 4.34 0.00 -1.24 -0.70 117.38 111.54 2a7y n GLN 21 Ca -0.01 2.71 -0.20 0.00 -0.00 0.00 0.00 57.00 59.50 2a7y n GLN 21 Cb 0.62 -3.98 -0.13 0.00 0.00 0.00 0.00 30.24 26.74 2a7y n GLN 21 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2a7y s HIS 22 N -0.48 1.27 0.34 3.69 3.76 -0.79 -3.15 115.29 119.92 2a7y s HIS 22 Ca -0.20 -0.38 -0.18 0.00 -0.15 0.00 0.00 55.06 54.15 2a7y s HIS 22 Cb 0.01 -0.74 0.05 0.00 1.11 0.00 0.00 32.58 33.01 2a7y s HIS 22 CO 0.55 0.05 0.80 0.00 -0.85 0.00 0.00 174.74 175.29 2a7y s ALA 23 N -0.94 -0.95 -0.17 -1.40 0.00 -0.94 -3.59 121.76 113.77 2a7y s ALA 23 Ca 0.01 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.28 2a7y s ALA 23 Cb -0.08 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 2a7y s ALA 23 CO 0.02 -1.01 0.19 -2.00 0.00 0.00 0.00 175.76 172.96 2a7y s GLU 24 N -2.72 4.06 -0.42 0.00 2.12 -0.35 -0.23 118.70 121.15 2a7y s GLU 24 Ca 0.15 -0.09 -0.17 0.00 0.36 0.00 0.00 54.97 55.22 2a7y s GLU 24 Cb -0.05 -3.37 0.02 0.00 0.26 0.00 0.00 34.13 30.99 2a7y s GLU 24 CO 0.10 0.39 0.41 0.42 -0.54 0.00 0.00 175.26 176.04 2a7y s ILE 25 N 0.07 5.12 -0.12 -3.70 1.01 0.23 -0.84 121.20 122.98 2a7y s ILE 25 Ca 0.12 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.41 2a7y s ILE 25 Cb -0.12 -4.03 -0.13 0.00 0.01 0.00 0.00 42.46 38.19 2a7y s ILE 25 CO 0.01 -0.42 0.01 2.30 0.00 0.00 0.00 174.94 176.84 2a7y n ILE 26 N 5.38 0.77 -3.74 2.92 -0.00 -1.24 -1.84 119.36 121.61 2a7y n ILE 26 Ca -0.08 -0.44 -0.37 0.00 -0.00 0.00 0.00 62.75 61.86 2a7y n ILE 26 Cb 0.47 -0.76 -0.11 0.00 -0.00 0.00 0.00 39.64 39.24 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 -2.27 2.08 -0.01 6.28 0.41 -1.22 -4.74 118.70 119.23 2a7y s GLU 27 Ca -0.08 -1.82 0.01 0.00 -0.41 0.00 0.00 54.97 52.66 2a7y s GLU 27 Cb 0.04 -3.64 -0.04 0.00 -1.78 0.00 0.00 34.13 28.71 2a7y s GLU 27 CO 0.43 -1.09 0.02 0.08 -0.49 0.00 0.00 175.26 174.21 2a7y s VAL 28 N 1.16 4.32 0.23 2.63 1.01 -1.26 -2.50 120.40 125.99 2a7y s VAL 28 Ca 0.08 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2a7y s VAL 28 Cb -0.23 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.23 2a7y s VAL 28 CO -0.04 0.38 1.62 0.03 0.00 0.00 0.00 175.10 177.09 2a7y h ARG 29 N 4.30 0.59 0.00 2.72 3.08 -1.81 -3.49 114.38 119.78 2a7y h ARG 29 Ca -0.49 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.29 2a7y h ARG 29 Cb 1.18 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2a7y h ARG 29 CO 0.59 0.85 0.00 0.43 -1.07 0.00 0.00 179.97 180.77 2a7y n SER 30 N -4.06 -2.69 0.00 7.04 7.64 -1.26 -4.82 113.62 115.47 2a7y n SER 30 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2a7y n SER 30 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2a7y n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a7y n ALA 31 N 1.99 0.00 -0.01 -0.43 0.00 -1.26 -1.39 120.51 119.41 2a7y n ALA 31 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2a7y n ALA 31 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 3.48 0.65 -1.54 0.00 5.75 -1.26 -5.05 116.55 118.57 2a7y n ASP 32 Ca 0.00 0.30 -0.00 0.00 -0.01 0.00 0.00 54.79 55.07 2a7y n ASP 32 Cb 0.00 0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 1.50 -2.17 3.51 6.12 0.00 -0.48 -4.44 105.19 109.23 2a7y n GLY 33 Ca -0.16 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.37 -0.50 1.00 1.61 1.04 -1.26 -4.82 113.70 110.40 2a7y s SER 34 Ca 0.00 -0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.20 2a7y s SER 34 Cb -0.00 0.62 0.18 0.00 0.10 0.00 0.00 66.02 66.92 2a7y s SER 34 CO 0.02 -1.04 1.01 -2.65 0.98 0.00 0.00 173.24 171.57 2a7y n PRO 35 N -0.39 -1.07 -2.40 4.02 -0.02 -1.26 -4.58 135.00 129.30 2a7y n PRO 35 Ca -0.14 -0.26 -0.33 0.00 -2.02 0.00 0.00 63.50 60.74 2a7y n PRO 35 Cb 0.64 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 2a7y n PRO 35 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2a7y s PRO 36 N -4.44 3.68 -0.06 0.52 0.02 -1.26 -5.06 135.00 128.40 2a7y s PRO 36 Ca 0.66 1.28 0.02 0.00 0.02 0.00 0.00 61.00 62.98 2a7y s PRO 36 Cb -0.23 -2.08 -0.03 0.00 0.02 0.00 0.00 34.50 32.18 2a7y s PRO 36 CO 0.61 -0.52 -0.09 0.71 -0.33 0.00 0.00 177.00 177.38 2a7y s TYR 37 N -2.16 2.87 -0.56 6.54 2.02 -1.05 -4.57 117.35 120.44 2a7y s TYR 37 Ca 0.66 -0.03 -0.17 0.00 -0.37 0.00 0.00 57.07 57.16 2a7y s TYR 37 Cb -0.16 -1.69 0.12 0.00 -0.40 0.00 0.00 41.96 39.84 2a7y s TYR 37 CO 0.25 0.29 0.57 0.08 -1.57 0.00 0.00 175.55 175.17 2a7y s VAL 38 N -0.78 5.09 -0.03 0.71 1.01 -1.04 -1.96 120.40 123.39 2a7y s VAL 38 Ca 0.12 -1.35 0.02 0.00 0.00 0.00 0.00 61.98 60.77 2a7y s VAL 38 Cb -0.11 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 2a7y s VAL 38 CO 0.01 -0.95 -0.07 0.54 0.00 0.00 0.00 175.10 174.63 2a7y s VAL 39 N 1.93 3.68 -0.10 2.92 0.11 -0.68 -3.43 120.40 124.83 2a7y s VAL 39 Ca 0.06 -0.62 0.03 0.00 -2.93 0.00 0.00 61.98 58.52 2a7y s VAL 39 Cb -0.28 -2.55 0.00 0.00 -1.53 0.00 0.00 36.38 32.02 2a7y s VAL 39 CO 0.04 0.50 -0.22 -0.60 -3.33 0.00 0.00 175.10 171.49 2a7y s ARG 40 N -1.10 2.83 -0.72 1.54 3.52 -0.02 -1.59 118.95 123.41 2a7y s ARG 40 Ca 0.15 -0.80 -0.26 0.00 -0.13 0.00 0.00 55.73 54.68 2a7y s ARG 40 Cb -0.11 -2.18 0.04 0.00 -1.56 0.00 0.00 34.95 31.13 2a7y s ARG 40 CO 0.04 0.12 1.23 -1.58 -0.81 0.00 0.00 175.30 174.31 2a7y s TRP 41 N 0.48 2.35 -0.08 5.12 0.52 0.38 -1.21 118.94 126.50 2a7y s TRP 41 Ca -0.16 -0.09 -0.14 0.00 0.02 0.00 0.00 56.10 55.74 2a7y s TRP 41 Cb -0.17 -4.58 -0.10 0.00 -1.15 0.00 0.00 33.47 27.47 2a7y s TRP 41 CO 0.06 -1.99 0.49 -0.07 0.02 0.00 0.00 176.95 175.46 2a7y h LEU 42 N 12.75 -0.14 0.00 2.99 3.38 -1.96 0.20 115.31 132.53 2a7y h LEU 42 Ca -0.28 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2a7y h LEU 42 Cb 1.05 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2a7y h LEU 42 CO 1.26 0.44 0.00 1.33 0.09 0.00 0.00 178.44 181.56 2a7y n VAL 43 N -4.86 0.04 -0.12 1.22 0.24 -1.26 -2.80 118.33 110.78 2a7y n VAL 43 Ca -0.05 0.01 -0.26 0.00 -2.04 0.00 0.00 64.34 62.00 2a7y n VAL 43 Cb 0.19 -0.52 -0.11 0.00 -1.47 0.00 0.00 33.84 31.93 2a7y n VAL 43 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2a7y n ASN 44 N -1.39 1.95 0.00 -1.34 3.02 -1.25 -5.04 115.26 111.20 2a7y n ASN 44 Ca 0.10 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 2a7y n ASN 44 Cb 0.28 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 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 1.48 0.77 3.62 7.41 0.00 0.60 -5.10 105.19 113.96 2a7y n GLY 45 Ca -0.47 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.43 -0.20 -0.03 1.61 5.04 -0.55 -5.01 115.29 114.72 2a7y s HIS 46 Ca 0.00 0.37 -0.05 0.00 -1.54 0.00 0.00 55.06 53.83 2a7y s HIS 46 Cb 0.00 0.47 -0.04 0.00 0.04 0.00 0.00 32.58 33.05 2a7y s HIS 46 CO 0.00 -0.17 0.20 -1.21 -2.34 0.00 0.00 174.74 171.22 2a7y s GLU 47 N -0.89 3.50 0.22 2.88 8.01 -1.26 -0.47 118.70 130.68 2a7y s GLU 47 Ca 0.04 -0.17 -0.16 0.00 0.01 0.00 0.00 54.97 54.69 2a7y s GLU 47 Cb -0.01 -3.12 0.01 0.00 -4.31 0.00 0.00 34.13 26.70 2a7y s GLU 47 CO -0.05 0.69 0.52 0.99 0.01 0.00 0.00 175.26 177.43 2a7y s THR 48 N -1.23 0.02 -0.14 3.63 2.01 -0.62 -4.96 115.64 114.35 2a7y s THR 48 Ca 0.24 -1.05 -0.00 0.00 0.31 0.00 0.00 61.69 61.19 2a7y s THR 48 Cb -0.13 -1.85 0.03 0.00 0.01 0.00 0.00 72.50 70.56 2a7y s THR 48 CO 0.14 -0.08 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.01 2a7y s THR 49 N -3.93 1.22 0.22 -0.82 2.01 -1.26 -1.69 115.64 111.39 2a7y s THR 49 Ca 0.14 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.70 2a7y s THR 49 Cb -0.01 -1.25 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 2a7y s THR 49 CO 0.03 0.33 -0.07 0.68 -0.69 0.00 0.00 174.62 174.90 2a7y s VAL 50 N 1.62 1.34 -0.34 3.82 -7.23 -0.83 -4.98 120.40 113.80 2a7y s VAL 50 Ca 0.04 -2.10 0.04 0.00 -1.81 0.00 0.00 61.98 58.15 2a7y s VAL 50 Cb -0.13 -2.19 0.10 0.00 0.56 0.00 0.00 36.38 34.72 2a7y s VAL 50 CO -0.09 -0.48 0.06 -0.31 -0.31 0.00 0.00 175.10 173.97 2a7y s TYR 51 N -3.22 3.62 0.57 2.82 2.02 -1.26 -2.53 117.35 119.37 2a7y s TYR 51 Ca 0.25 -2.93 -0.20 0.00 -0.37 0.00 0.00 57.07 53.82 2a7y s TYR 51 Cb 0.03 -2.85 -0.05 0.00 -0.40 0.00 0.00 41.96 38.70 2a7y s TYR 51 CO 0.07 -0.94 1.19 -1.25 -1.57 0.00 0.00 175.55 173.05 2a7y s PRO 52 N 0.93 3.15 -1.40 -1.71 0.04 -1.26 -4.91 135.00 129.84 2a7y s PRO 52 Ca 0.11 1.79 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 2a7y s PRO 52 Cb -0.19 -2.01 0.08 0.00 0.04 0.00 0.00 34.50 32.42 2a7y s PRO 52 CO -0.09 -1.05 2.20 0.41 0.04 0.00 0.00 177.00 178.51 2a7y n GLY 53 N 0.43 4.60 0.80 0.56 0.00 -1.26 -4.92 105.19 105.40 2a7y n GLY 53 Ca 0.12 -1.80 0.10 0.00 0.00 0.00 0.00 46.02 44.44 2a7y n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a7y n SER 54 N 4.65 -4.72 -3.83 1.61 7.64 -1.26 -4.67 113.62 113.04 2a7y n SER 54 Ca 0.51 0.62 -0.27 0.00 1.01 0.00 0.00 58.87 60.74 2a7y n SER 54 Cb 0.35 -2.62 0.03 0.00 -1.01 0.00 0.00 64.21 60.97 2a7y n SER 54 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2a7y n ASP 55 N -3.47 -4.13 -4.60 6.43 9.92 -1.26 -3.86 116.55 115.58 2a7y n ASP 55 Ca -0.03 -0.76 -0.43 0.00 -0.53 0.00 0.00 54.79 53.04 2a7y n ASP 55 Cb 0.37 -4.07 -0.02 0.00 -0.64 0.00 0.00 41.12 36.76 2a7y n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a7y s ALA 56 N -3.39 3.14 0.23 2.24 0.00 -1.22 -3.47 121.76 119.28 2a7y s ALA 56 Ca 0.50 -0.29 0.11 0.00 0.00 0.00 0.00 51.96 52.29 2a7y s ALA 56 Cb -0.25 -3.90 -0.05 0.00 0.00 0.00 0.00 23.12 18.93 2a7y s ALA 56 CO 0.81 -2.25 -0.21 0.54 0.00 0.00 0.00 175.76 174.65 2a7y s VAL 57 N 4.83 2.50 -0.43 0.00 0.11 -0.89 -4.86 120.40 121.65 2a7y s VAL 57 Ca 0.54 -2.13 -0.13 0.00 -2.93 0.00 0.00 61.98 57.32 2a7y s VAL 57 Cb -0.11 -2.25 0.05 0.00 -1.53 0.00 0.00 36.38 32.55 2a7y s VAL 57 CO 0.31 -0.22 0.31 0.68 -3.33 0.00 0.00 175.10 172.85 2a7y s VAL 58 N -1.99 4.91 0.58 2.04 -7.23 -1.24 -0.94 120.40 116.53 2a7y s VAL 58 Ca 0.25 -1.01 0.09 0.00 -1.81 0.00 0.00 61.98 59.49 2a7y s VAL 58 Cb -0.07 -3.87 0.09 0.00 0.56 0.00 0.00 36.38 33.09 2a7y s VAL 58 CO 0.12 -0.44 0.72 1.33 -0.31 0.00 0.00 175.10 176.52 2a7y n VAL 59 N 5.10 0.00 -2.68 1.32 0.24 0.44 -4.78 118.33 117.96 2a7y n VAL 59 Ca -0.12 -2.00 -0.01 0.00 -2.04 0.00 0.00 64.34 60.17 2a7y n VAL 59 Cb 0.45 -0.41 0.01 0.00 -1.47 0.00 0.00 33.84 32.41 2a7y n VAL 59 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2a7y n THR 60 N -2.17 0.00 0.05 3.34 5.66 -1.26 -0.40 114.28 119.49 2a7y n THR 60 Ca 0.13 -0.11 -0.13 0.00 -3.05 0.00 0.00 64.05 60.89 2a7y n THR 60 Cb 0.61 -1.13 -0.08 0.00 -1.55 0.00 0.00 70.33 68.17 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 0.07 -0.07 -0.25 1.79 0.00 -1.98 -2.82 119.26 116.01 2a7y h ALA 61 Ca -0.02 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 2a7y h ALA 61 Cb 0.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2a7y h ALA 61 CO 0.02 -0.45 -0.57 1.79 0.00 0.00 0.00 179.25 180.04 2a7y h THR 62 N -0.24 1.28 -0.38 0.00 1.35 -2.02 -2.37 112.91 110.53 2a7y h THR 62 Ca -0.01 -1.77 0.11 0.00 -0.55 0.00 0.00 66.41 64.20 2a7y h THR 62 Cb 0.21 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 2a7y h THR 62 CO 0.01 0.57 0.30 -0.08 -0.25 0.00 0.00 175.52 176.07 2a7y h GLU 63 N 0.59 0.00 0.08 4.72 4.22 -1.96 -3.09 114.58 119.14 2a7y h GLU 63 Ca -0.00 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.29 2a7y h GLU 63 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2a7y h GLU 63 CO 0.13 0.00 -0.73 1.25 -2.18 0.00 0.00 179.01 177.48 2a7y h HIS 64 N 0.00 0.30 -0.02 0.92 -0.00 -1.16 -3.41 115.15 111.77 2a7y h HIS 64 Ca 0.18 -0.22 0.02 0.00 -0.00 0.00 0.00 60.37 60.36 2a7y h HIS 64 Cb 0.77 -0.01 -0.06 0.00 -0.00 0.00 0.00 27.41 28.11 2a7y h HIS 64 CO 0.00 1.28 -0.53 0.00 -0.00 0.00 0.00 177.93 178.68 2a7y h ALA 65 N -0.03 -0.94 -0.02 5.26 0.00 -1.40 0.19 119.26 122.32 2a7y h ALA 65 Ca -0.15 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.71 2a7y h ALA 65 Cb 1.43 0.96 -0.04 0.00 0.00 0.00 0.00 17.79 20.14 2a7y h ALA 65 CO 0.05 -1.11 -0.21 0.93 0.00 0.00 0.00 179.25 178.91 2a7y h GLU 66 N -0.65 -0.31 0.00 0.00 5.08 -1.83 -0.56 114.58 116.31 2a7y h GLU 66 Ca 0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2a7y h GLU 66 Cb 0.71 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2a7y h GLU 66 CO -0.37 -0.21 0.00 0.00 -1.00 0.00 0.00 179.01 177.43 2a7y h ALA 67 N 0.57 1.00 -0.26 3.43 0.00 -1.64 -2.48 119.26 119.89 2a7y h ALA 67 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2a7y h ALA 67 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2a7y h ALA 67 CO -0.21 0.00 -0.39 1.49 0.00 0.00 0.00 179.25 180.15 2a7y h GLU 68 N 0.00 0.71 -0.39 0.00 4.81 0.10 0.19 114.58 120.00 2a7y h GLU 68 Ca 0.00 -0.42 0.04 0.00 -0.13 0.00 0.00 59.36 58.85 2a7y h GLU 68 Cb 0.37 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 2a7y h GLU 68 CO 0.00 1.05 0.16 0.87 -0.73 0.00 0.00 179.01 180.35 2a7y h LYS 69 N 0.44 0.32 0.00 1.92 1.57 -1.14 0.12 116.57 119.81 2a7y h LYS 69 Ca 0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2a7y h LYS 69 Cb 0.98 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 2a7y h LYS 69 CO 0.09 0.21 -0.04 0.00 -0.57 0.00 0.00 179.45 179.15 2a7y h ARG 70 N 0.33 0.00 0.03 3.15 3.08 -1.35 -2.43 114.38 117.19 2a7y h ARG 70 Ca 0.18 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.15 2a7y h ARG 70 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 2a7y h ARG 70 CO -0.16 0.04 -0.40 0.00 -1.07 0.00 0.00 179.97 178.38 2a7y h ALA 71 N 1.96 0.04 0.00 0.04 0.00 0.13 -1.88 119.26 119.54 2a7y h ALA 71 Ca -0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 2a7y h ALA 71 Cb 0.12 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2a7y h ALA 71 CO 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 179.25 179.46 2a7y h ALA 72 N -0.07 1.31 0.27 0.00 0.00 -0.77 0.16 119.26 120.17 2a7y h ALA 72 Ca -0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2a7y h ALA 72 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2a7y h ALA 72 CO -0.01 0.02 -0.13 0.00 0.00 0.00 0.00 179.25 179.13 2a7y h ALA 73 N 1.98 -0.62 0.00 0.00 0.00 -1.41 -3.36 119.26 115.85 2a7y h ALA 73 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2a7y h ALA 73 Cb 0.06 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2a7y h ALA 73 CO 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 179.25 178.55 2a7y h ARG 74 N -0.62 0.00 -0.46 0.00 3.08 -1.00 -3.17 114.38 112.22 2a7y h ARG 74 Ca -0.04 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.10 2a7y h ARG 74 Cb 0.28 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.26 2a7y h ARG 74 CO 0.06 0.00 -0.00 0.00 -1.07 0.00 0.00 179.97 178.96 2a7y h ALA 75 N -1.01 0.42 -0.60 0.04 0.00 -0.90 -1.87 119.26 115.34 2a7y h ALA 75 Ca 0.00 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2a7y h ALA 75 Cb 0.11 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2a7y h ALA 75 CO 0.00 -0.39 0.09 0.41 0.00 0.00 0.00 179.25 179.36 2a7y n GLY 76 N -1.30 3.39 0.13 0.00 0.00 -1.13 -4.45 105.19 101.82 2a7y n GLY 76 Ca 0.04 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 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 3.26 -0.19 -2.44 1.61 6.17 -1.31 -3.41 115.15 118.85 2a7y h HIS 77 Ca 0.10 -0.00 -0.58 0.00 0.71 0.00 0.00 60.37 60.59 2a7y h HIS 77 Cb 2.05 0.06 -0.38 0.00 2.52 0.00 0.00 27.41 31.66 2a7y h HIS 77 CO 1.10 0.24 -0.92 0.00 0.71 0.00 0.00 177.93 179.06 2a7y s ALA 78 N -4.21 1.17 -0.19 5.26 0.00 -1.26 -4.96 121.76 117.57 2a7y s ALA 78 Ca -0.14 -2.19 -0.09 0.00 0.00 0.00 0.00 51.96 49.53 2a7y s ALA 78 Cb 0.01 -1.60 -0.21 0.00 0.00 0.00 0.00 23.12 21.32 2a7y s ALA 78 CO 0.56 -2.03 0.13 0.00 0.00 0.00 0.00 175.76 174.42 2a7y n ALA 79 N 3.33 1.01 0.78 0.00 0.00 -1.26 -5.10 120.51 119.26 2a7y n ALA 79 Ca 0.23 -0.73 0.09 0.00 0.00 0.00 0.00 53.44 53.03 2a7y n ALA 79 Cb 0.44 -0.44 0.08 0.00 0.00 0.00 0.00 19.45 19.52 2a7y n ALA 79 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91