#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 0.01 1.12 0.00 -1.26 -4.18 115.29 111.17 2a7y s HIS 2 Ca 0.00 0.13 0.00 0.00 -3.00 0.00 0.00 55.06 52.20 2a7y s HIS 2 Cb 0.00 -0.49 -0.01 0.00 -4.00 0.00 0.00 32.58 28.08 2a7y s HIS 2 CO 0.00 -0.19 -0.02 0.00 -1.00 0.00 0.00 174.74 173.53 2a7y s ALA 3 N 1.83 0.15 0.08 -1.38 0.00 -1.18 -4.83 121.76 116.43 2a7y s ALA 3 Ca 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 51.76 2a7y s ALA 3 Cb -0.12 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 2a7y s ALA 3 CO -0.03 -0.01 -0.02 -1.59 0.00 0.00 0.00 175.76 174.11 2a7y s LYS 4 N -0.40 0.74 0.54 0.00 -2.85 -1.26 -4.83 119.74 111.68 2a7y s LYS 4 Ca -0.03 -1.30 -0.18 0.00 -1.00 0.00 0.00 55.97 53.45 2a7y s LYS 4 Cb -0.03 0.13 -0.06 0.00 -2.06 0.00 0.00 37.83 35.81 2a7y s LYS 4 CO -0.00 -0.13 1.07 0.54 0.10 0.00 0.00 175.35 176.93 2a7y s VAL 5 N -3.89 3.59 0.00 1.79 0.11 -1.26 -3.52 120.40 117.23 2a7y s VAL 5 Ca 0.12 0.90 0.00 0.00 -2.93 0.00 0.00 61.98 60.07 2a7y s VAL 5 Cb 0.07 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.56 2a7y s VAL 5 CO -0.06 -0.30 0.00 0.61 -3.33 0.00 0.00 175.10 172.02 2a7y n GLY 6 N -0.37 0.57 3.02 6.54 0.00 0.39 -5.01 105.19 110.34 2a7y n GLY 6 Ca 0.10 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 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 1.08 -0.39 -4.24 1.61 9.92 -1.23 -4.99 116.55 118.31 2a7y n ASP 7 Ca 0.00 -3.05 -0.13 0.00 -0.53 0.00 0.00 54.79 51.07 2a7y n ASP 7 Cb 0.00 1.48 -0.10 0.00 -0.64 0.00 0.00 41.12 41.86 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 -3.23 1.26 -0.00 1.24 1.51 -0.60 -0.39 117.35 117.15 2a7y s TYR 8 Ca 0.35 -1.24 0.01 0.00 -1.01 0.00 0.00 57.07 55.17 2a7y s TYR 8 Cb 0.02 -0.69 0.00 0.00 -0.11 0.00 0.00 41.96 41.18 2a7y s TYR 8 CO 0.25 -0.46 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.04 2a7y s LEU 9 N -3.20 1.90 0.20 -1.29 0.20 -0.43 -0.64 118.68 115.42 2a7y s LEU 9 Ca 0.35 -0.03 -0.00 0.00 0.69 0.00 0.00 54.13 55.13 2a7y s LEU 9 Cb 0.07 -0.11 -0.04 0.00 -0.43 0.00 0.00 46.19 45.68 2a7y s LEU 9 CO 0.10 0.01 0.11 -0.69 -0.29 0.00 0.00 176.35 175.59 2a7y s VAL 10 N 0.08 0.14 0.00 1.68 1.01 0.44 -2.23 120.40 121.54 2a7y s VAL 10 Ca -0.01 -1.99 0.01 0.00 0.00 0.00 0.00 61.98 60.00 2a7y s VAL 10 Cb -0.02 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 2a7y s VAL 10 CO -0.00 -0.09 -0.03 -0.69 0.00 0.00 0.00 175.10 174.29 2a7y s VAL 11 N -4.05 0.19 0.00 2.92 1.01 0.51 -0.39 120.40 120.58 2a7y s VAL 11 Ca 0.36 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 2a7y s VAL 11 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.24 2a7y s VAL 11 CO 0.10 -0.05 0.71 0.50 0.00 0.00 0.00 175.10 176.37 2a7y h LYS 12 N 5.82 -0.10 0.00 2.72 3.64 -1.81 -1.26 116.57 125.58 2a7y h LYS 12 Ca -0.27 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2a7y h LYS 12 Cb 1.20 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2a7y h LYS 12 CO 0.49 -0.06 0.00 0.41 -2.27 0.00 0.00 179.45 178.01 2a7y n GLY 13 N -0.07 1.20 3.43 5.01 0.00 -1.26 -4.26 105.19 109.23 2a7y n GLY 13 Ca -0.01 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2a7y n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a7y s THR 14 N 0.00 3.00 0.56 2.61 2.01 -1.26 -5.01 115.64 117.55 2a7y s THR 14 Ca 0.00 -0.72 0.36 0.00 0.31 0.00 0.00 61.69 61.63 2a7y s THR 14 Cb 0.00 -2.20 0.38 0.00 0.01 0.00 0.00 72.50 70.69 2a7y s THR 14 CO 0.00 0.57 2.26 0.74 -0.69 0.00 0.00 174.62 177.50 2a7y h THR 15 N 4.77 0.29 -1.98 -0.82 2.02 -1.90 -3.39 112.91 111.91 2a7y h THR 15 Ca -0.38 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 2a7y h THR 15 Cb 1.18 1.09 0.01 0.00 -1.74 0.00 0.00 68.15 68.68 2a7y h THR 15 CO 0.52 0.02 0.02 1.07 0.37 0.00 0.00 175.52 177.52 2a7y n THR 16 N -3.46 0.00 0.53 3.16 5.66 -1.26 -4.87 114.28 114.04 2a7y n THR 16 Ca -0.03 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 2a7y n THR 16 Cb 0.12 -1.71 0.00 0.00 -1.55 0.00 0.00 70.33 67.18 2a7y n THR 16 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2a7y n GLU 17 N -1.31 0.82 -3.60 1.09 4.71 -1.26 -4.80 120.64 116.29 2a7y n GLU 17 Ca 0.01 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.79 2a7y n GLU 17 Cb 0.03 -1.09 -0.07 0.00 -1.01 0.00 0.00 31.44 29.31 2a7y n GLU 17 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2a7y s ARG 18 N 0.22 4.02 -0.06 3.49 3.52 -1.26 -5.07 118.95 123.81 2a7y s ARG 18 Ca 0.00 0.12 -0.02 0.00 -0.13 0.00 0.00 55.73 55.70 2a7y s ARG 18 Cb 0.00 -3.33 0.03 0.00 -1.56 0.00 0.00 34.95 30.09 2a7y s ARG 18 CO 0.00 0.45 0.06 -1.01 -0.81 0.00 0.00 175.30 173.99 2a7y s HIS 19 N -0.19 0.13 0.45 5.12 3.76 -1.26 -4.39 115.29 118.91 2a7y s HIS 19 Ca 0.18 0.17 0.02 0.00 -0.15 0.00 0.00 55.06 55.27 2a7y s HIS 19 Cb -0.14 -0.53 -0.01 0.00 1.11 0.00 0.00 32.58 33.02 2a7y s HIS 19 CO 0.06 -0.23 0.07 -0.25 -0.85 0.00 0.00 174.74 173.54 2a7y n ASP 20 N 5.28 2.32 -2.38 1.40 8.00 -0.48 -4.85 116.55 125.85 2a7y n ASP 20 Ca -0.04 -3.14 -0.03 0.00 0.71 0.00 0.00 54.79 52.29 2a7y n ASP 20 Cb 0.50 0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 42.24 2a7y n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a7y n GLN 21 N -1.07 -3.33 -3.72 -1.24 6.02 -0.67 -0.37 117.38 113.00 2a7y n GLN 21 Ca -0.13 2.65 -0.20 0.00 -0.01 0.00 0.00 57.00 59.31 2a7y n GLN 21 Cb 0.61 -4.25 -0.18 0.00 1.02 0.00 0.00 30.24 27.45 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 -0.75 0.19 0.28 1.08 2.46 -0.72 -3.14 115.29 114.69 2a7y s HIS 22 Ca -0.16 0.15 0.07 0.00 0.47 0.00 0.00 55.06 55.59 2a7y s HIS 22 Cb 0.01 -0.51 -0.02 0.00 -0.13 0.00 0.00 32.58 31.92 2a7y s HIS 22 CO 0.62 -0.20 0.24 0.00 -2.47 0.00 0.00 174.74 172.93 2a7y n ALA 23 N 5.08 0.61 -3.47 1.58 0.00 -0.94 -3.70 120.51 119.66 2a7y n ALA 23 Ca -0.08 -1.67 -0.17 0.00 0.00 0.00 0.00 53.44 51.52 2a7y n ALA 23 Cb 0.50 1.35 -0.16 0.00 0.00 0.00 0.00 19.45 21.14 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 0.45 -0.35 0.00 2.12 -0.92 -1.32 118.70 115.51 2a7y s GLU 24 Ca 0.34 -0.03 -0.21 0.00 0.36 0.00 0.00 54.97 55.43 2a7y s GLU 24 Cb 0.02 -0.53 0.00 0.00 0.26 0.00 0.00 34.13 33.88 2a7y s GLU 24 CO 0.24 -0.06 0.66 0.42 -0.54 0.00 0.00 175.26 175.97 2a7y s ILE 25 N 0.71 4.87 -0.26 -3.70 1.01 0.48 -1.31 121.20 123.00 2a7y s ILE 25 Ca -0.08 0.65 0.14 0.00 0.00 0.00 0.00 60.65 61.37 2a7y s ILE 25 Cb -0.11 -4.09 -0.20 0.00 0.01 0.00 0.00 42.46 38.07 2a7y s ILE 25 CO -0.01 -0.32 0.42 2.30 0.00 0.00 0.00 174.94 177.33 2a7y n ILE 26 N 5.61 0.00 -4.03 2.92 -0.00 -1.20 -0.46 119.36 122.19 2a7y n ILE 26 Ca -0.00 -0.27 -0.09 0.00 -0.00 0.00 0.00 62.75 62.38 2a7y n ILE 26 Cb 0.48 0.48 -0.11 0.00 -0.00 0.00 0.00 39.64 40.50 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 -2.75 0.45 -0.30 6.28 2.02 -0.67 -4.90 118.70 118.84 2a7y s GLU 27 Ca -0.01 -0.83 -0.03 0.00 0.02 0.00 0.00 54.97 54.12 2a7y s GLU 27 Cb 0.10 0.05 0.10 0.00 0.10 0.00 0.00 34.13 34.48 2a7y s GLU 27 CO 0.59 -0.05 0.12 0.08 0.02 0.00 0.00 175.26 176.03 2a7y s VAL 28 N -2.19 0.19 -0.48 2.63 1.01 -1.26 -2.52 120.40 117.79 2a7y s VAL 28 Ca -0.08 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 60.98 2a7y s VAL 28 Cb -0.05 -1.17 0.56 0.00 0.00 0.00 0.00 36.38 35.72 2a7y s VAL 28 CO -0.03 -0.72 1.91 0.54 0.00 0.00 0.00 175.10 176.80 2a7y n ARG 29 N 5.13 2.28 0.00 2.72 5.12 -1.18 -4.60 116.66 126.13 2a7y n ARG 29 Ca -0.05 -2.86 0.00 0.00 -1.93 0.00 0.00 57.85 53.01 2a7y n ARG 29 Cb 0.42 -2.12 0.00 0.00 -1.16 0.00 0.00 32.46 29.60 2a7y n ARG 29 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2a7y n SER 30 N -0.93 0.00 0.00 0.55 3.41 -1.25 -4.31 113.62 111.08 2a7y n SER 30 Ca 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 2a7y n SER 30 Cb 1.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.25 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 -3.00 0.00 -0.08 7.33 0.00 -1.26 -5.00 120.51 118.49 2a7y n ALA 31 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2a7y n ALA 31 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2a7y n ALA 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2a7y n ASP 32 N 0.00 1.85 0.00 0.00 9.92 -1.26 -4.99 116.55 122.07 2a7y n ASP 32 Ca 0.00 0.54 0.00 0.00 -0.53 0.00 0.00 54.79 54.80 2a7y n ASP 32 Cb 0.00 -0.85 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 2a7y n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2a7y n GLY 33 N 1.55 -2.00 3.54 0.44 0.00 -1.26 -3.08 105.19 104.38 2a7y n GLY 33 Ca -0.12 0.97 -0.09 0.00 0.00 0.00 0.00 46.02 46.77 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 0.00 -0.24 0.71 1.61 0.01 -1.26 -4.82 113.70 109.72 2a7y s SER 34 Ca 0.00 -0.54 -0.14 0.00 1.31 0.00 0.00 55.95 56.58 2a7y s SER 34 Cb 0.00 0.58 0.03 0.00 0.21 0.00 0.00 66.02 66.84 2a7y s SER 34 CO 0.00 -1.07 1.14 -2.16 0.41 0.00 0.00 173.24 171.56 2a7y s PRO 35 N -3.89 2.40 0.61 12.44 0.04 -1.26 -4.37 135.00 140.97 2a7y s PRO 35 Ca 0.11 1.49 -0.05 0.00 0.04 0.00 0.00 61.00 62.59 2a7y s PRO 35 Cb -0.01 -1.89 0.13 0.00 0.04 0.00 0.00 34.50 32.77 2a7y s PRO 35 CO -0.01 -1.58 0.83 -0.35 0.04 0.00 0.00 177.00 175.93 2a7y n PRO 36 N -2.77 -0.30 -4.27 0.56 -0.04 -1.26 -4.79 135.00 122.12 2a7y n PRO 36 Ca 0.11 -1.84 -0.17 0.00 -0.04 0.00 0.00 63.50 61.56 2a7y n PRO 36 Cb 0.52 -0.68 -0.09 0.00 -0.04 0.00 0.00 33.50 33.20 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 -2.57 1.50 -0.12 0.54 2.02 -0.99 -3.12 117.35 114.61 2a7y s TYR 37 Ca 0.52 -1.48 -0.03 0.00 -0.37 0.00 0.00 57.07 55.71 2a7y s TYR 37 Cb -0.02 -0.70 0.04 0.00 -0.40 0.00 0.00 41.96 40.88 2a7y s TYR 37 CO 0.35 -0.69 0.05 0.08 -1.57 0.00 0.00 175.55 173.77 2a7y s VAL 38 N -3.74 0.14 0.22 0.71 1.01 -1.05 -2.23 120.40 115.45 2a7y s VAL 38 Ca 0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.35 2a7y s VAL 38 Cb 0.05 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2a7y s VAL 38 CO 0.19 -0.01 0.13 0.54 0.00 0.00 0.00 175.10 175.95 2a7y s VAL 39 N 2.05 0.11 -0.02 2.92 0.11 0.19 -1.67 120.40 124.09 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 -0.14 -2.53 0.02 0.00 -1.53 0.00 0.00 36.38 32.20 2a7y s VAL 39 CO -0.06 0.00 0.01 -0.60 -3.33 0.00 0.00 175.10 171.11 2a7y s ARG 40 N -4.11 0.15 -1.18 1.54 3.52 -0.43 -0.37 118.95 118.08 2a7y s ARG 40 Ca 0.39 0.08 -0.20 0.00 -0.13 0.00 0.00 55.73 55.87 2a7y s ARG 40 Cb 0.07 -0.33 0.04 0.00 -1.56 0.00 0.00 34.95 33.17 2a7y s ARG 40 CO 0.13 -0.11 1.68 -1.58 -0.81 0.00 0.00 175.30 174.61 2a7y s TRP 41 N 0.81 2.57 0.02 5.12 0.52 0.45 -2.17 118.94 126.26 2a7y s TRP 41 Ca -0.08 -1.05 -0.14 0.00 0.02 0.00 0.00 56.10 54.85 2a7y s TRP 41 Cb -0.11 -4.63 -0.08 0.00 -1.15 0.00 0.00 33.47 27.50 2a7y s TRP 41 CO -0.02 -1.79 1.19 -0.07 0.02 0.00 0.00 176.95 176.29 2a7y h LEU 42 N 13.43 -0.43 -1.42 2.99 3.38 -1.93 0.64 115.31 131.96 2a7y h LEU 42 Ca 0.33 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2a7y h LEU 42 Cb 0.93 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 2a7y h LEU 42 CO 1.41 -0.31 0.36 -0.37 0.09 0.00 0.00 178.44 179.63 2a7y h VAL 43 N -0.52 1.15 0.36 1.22 -1.51 -1.89 -2.64 116.25 112.43 2a7y h VAL 43 Ca -0.05 -0.29 -0.02 0.00 -1.23 0.00 0.00 66.70 65.11 2a7y h VAL 43 Cb 0.39 0.33 0.00 0.00 -2.13 0.00 0.00 31.29 29.88 2a7y h VAL 43 CO 0.09 0.15 -0.17 0.78 -1.23 0.00 0.00 177.57 177.18 2a7y h ASN 44 N 0.77 -0.41 0.00 4.19 2.35 -1.86 -3.49 115.58 117.13 2a7y h ASN 44 Ca 0.21 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2a7y h ASN 44 Cb -0.07 0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2a7y h ASN 44 CO -0.04 -0.29 0.00 0.61 -1.65 0.00 0.00 177.43 176.06 2a7y n GLY 45 N -1.18 0.94 3.20 2.83 0.00 0.22 -5.11 105.19 106.09 2a7y n GLY 45 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.94 1.14 -0.04 1.61 5.04 -0.90 -5.02 115.29 116.18 2a7y s HIS 46 Ca 0.00 -1.32 -0.00 0.00 -1.54 0.00 0.00 55.06 52.20 2a7y s HIS 46 Cb 0.00 -0.58 0.03 0.00 0.04 0.00 0.00 32.58 32.07 2a7y s HIS 46 CO 0.00 -0.57 0.02 -2.00 -2.34 0.00 0.00 174.74 169.85 2a7y s GLU 47 N -4.12 0.17 0.31 2.88 2.12 -1.26 -0.41 118.70 118.40 2a7y s GLU 47 Ca 0.35 0.18 0.07 0.00 0.36 0.00 0.00 54.97 55.93 2a7y s GLU 47 Cb 0.07 -0.50 -0.03 0.00 0.26 0.00 0.00 34.13 33.93 2a7y s GLU 47 CO 0.10 -0.21 0.25 -2.37 -0.54 0.00 0.00 175.26 172.49 2a7y n THR 48 N 4.57 0.00 -3.69 -1.70 5.66 0.51 -4.99 114.28 114.63 2a7y n THR 48 Ca -0.18 -2.24 -0.24 0.00 -3.05 0.00 0.00 64.05 58.34 2a7y n THR 48 Cb 0.50 1.10 -0.17 0.00 -1.55 0.00 0.00 70.33 70.21 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 -3.23 0.13 0.29 1.09 2.01 -1.26 -0.63 115.64 114.03 2a7y s THR 49 Ca 0.36 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.42 2a7y s THR 49 Cb 0.02 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 2a7y s THR 49 CO 0.25 0.01 0.21 0.68 -0.69 0.00 0.00 174.62 175.08 2a7y s VAL 50 N 2.06 0.09 -0.22 3.82 -7.23 -0.95 -4.94 120.40 113.03 2a7y s VAL 50 Ca 0.03 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.18 2a7y s VAL 50 Cb -0.14 -2.50 0.07 0.00 0.56 0.00 0.00 36.38 34.37 2a7y s VAL 50 CO -0.06 0.00 0.03 -0.31 -0.31 0.00 0.00 175.10 174.45 2a7y s TYR 51 N -3.66 1.37 -2.00 2.82 1.51 -1.26 -2.35 117.35 113.78 2a7y s TYR 51 Ca 0.39 -1.15 0.13 0.00 -1.01 0.00 0.00 57.07 55.43 2a7y s TYR 51 Cb 0.04 -1.23 0.79 0.00 -0.11 0.00 0.00 41.96 41.45 2a7y s TYR 51 CO 0.21 -0.68 1.46 -0.35 -1.11 0.00 0.00 175.55 175.07 2a7y n PRO 52 N 4.95 0.93 0.00 -1.71 -0.04 -1.26 -4.96 135.00 132.92 2a7y n PRO 52 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2a7y n PRO 52 Cb 0.46 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.62 2.19 3.89 0.55 0.00 -1.26 -4.84 105.19 106.35 2a7y n GLY 53 Ca 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 2a7y n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a7y s SER 54 N -4.00 -0.01 -1.30 1.61 0.15 -1.26 -4.75 113.70 104.14 2a7y s SER 54 Ca 0.00 -0.55 -0.05 0.00 0.70 0.00 0.00 55.95 56.05 2a7y s SER 54 Cb 0.00 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.73 2a7y s SER 54 CO 0.00 -0.82 1.09 -0.67 1.20 0.00 0.00 173.24 174.04 2a7y n ASP 55 N -1.13 -4.48 -4.70 5.45 2.03 -1.26 -4.79 116.55 107.66 2a7y n ASP 55 Ca -0.02 -0.59 -0.40 0.00 0.52 0.00 0.00 54.79 54.30 2a7y n ASP 55 Cb 0.59 -5.00 -0.05 0.00 -0.72 0.00 0.00 41.12 35.94 2a7y n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a7y s ALA 56 N -3.35 3.40 -0.04 -1.67 0.00 -1.26 -3.67 121.76 115.17 2a7y s ALA 56 Ca 0.34 0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 2a7y s ALA 56 Cb -0.15 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2a7y s ALA 56 CO 0.74 -0.24 0.05 0.14 0.00 0.00 0.00 175.76 176.45 2a7y s VAL 57 N 1.13 4.61 -0.30 0.00 -7.23 0.47 -4.93 120.40 114.16 2a7y s VAL 57 Ca 0.36 -0.33 -0.12 0.00 -1.81 0.00 0.00 61.98 60.08 2a7y s VAL 57 Cb -0.17 -3.05 -0.04 0.00 0.56 0.00 0.00 36.38 33.68 2a7y s VAL 57 CO 0.16 0.45 0.22 -0.69 -0.31 0.00 0.00 175.10 174.93 2a7y s VAL 58 N -1.08 5.29 0.58 1.32 1.01 -1.26 -0.42 120.40 125.84 2a7y s VAL 58 Ca 0.19 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.29 2a7y s VAL 58 Cb -0.12 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.72 2a7y s VAL 58 CO 0.09 0.14 0.61 1.33 0.00 0.00 0.00 175.10 177.27 2a7y n VAL 59 N 5.08 0.00 -3.45 2.92 0.24 0.19 -4.89 118.33 118.42 2a7y n VAL 59 Ca -0.13 -2.11 0.00 0.00 -2.04 0.00 0.00 64.34 60.06 2a7y n VAL 59 Cb 0.51 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 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 -2.04 0.00 -0.20 3.34 -2.24 -1.26 -1.56 114.28 110.32 2a7y n THR 60 Ca 0.07 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.77 2a7y n THR 60 Cb 0.63 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.14 6.98 0.00 -1.99 -2.92 119.26 123.21 2a7y h ALA 61 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2a7y h ALA 61 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2a7y h ALA 61 CO 0.00 0.31 -0.07 1.79 0.00 0.00 0.00 179.25 181.28 2a7y h THR 62 N 0.77 0.96 0.00 0.00 1.35 -2.03 -1.83 112.91 112.13 2a7y h THR 62 Ca 0.19 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2a7y h THR 62 Cb 0.14 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2a7y h THR 62 CO -0.02 0.09 0.00 -0.33 -0.25 0.00 0.00 175.52 175.01 2a7y h GLU 63 N -0.36 0.00 -0.16 4.72 4.39 -1.98 -2.61 114.58 118.57 2a7y h GLU 63 Ca -0.02 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 2a7y h GLU 63 Cb 0.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2a7y h GLU 63 CO 0.03 0.00 -0.45 1.25 -1.16 0.00 0.00 179.01 178.68 2a7y h HIS 64 N 0.00 0.48 0.00 4.33 -0.00 -1.12 -2.77 115.15 116.07 2a7y h HIS 64 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 60.37 60.23 2a7y h HIS 64 Cb 0.13 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 2a7y h HIS 64 CO 0.00 0.78 0.00 0.00 -0.00 0.00 0.00 177.93 178.71 2a7y n ALA 65 N -2.49 -0.17 0.27 5.26 0.00 -0.98 -1.92 120.51 120.48 2a7y n ALA 65 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 2a7y n ALA 65 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.64 -0.31 0.00 4.11 -1.77 -2.81 114.58 113.15 2a7y h GLU 66 Ca 0.00 0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.41 2a7y h GLU 66 Cb 0.00 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2a7y h GLU 66 CO 0.00 -0.36 -0.07 0.00 0.07 0.00 0.00 179.01 178.65 2a7y h ALA 67 N -0.41 1.29 -0.09 1.06 0.00 -1.65 -2.50 119.26 116.96 2a7y h ALA 67 Ca -0.07 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 2a7y h ALA 67 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2a7y h ALA 67 CO 0.11 0.47 -0.67 1.49 0.00 0.00 0.00 179.25 180.66 2a7y h GLU 68 N 0.48 0.38 0.14 0.00 4.81 -1.40 0.15 114.58 119.14 2a7y h GLU 68 Ca 0.10 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2a7y h GLU 68 Cb 0.43 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2a7y h GLU 68 CO 0.02 0.91 -0.23 0.87 -0.73 0.00 0.00 179.01 179.85 2a7y h LYS 69 N 0.27 -0.38 -0.20 1.92 1.57 -1.18 0.12 116.57 118.69 2a7y h LYS 69 Ca -0.02 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2a7y h LYS 69 Cb 1.22 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 2a7y h LYS 69 CO 0.11 -0.25 0.11 0.07 -0.57 0.00 0.00 179.45 178.92 2a7y h ARG 70 N -0.39 0.28 0.00 3.15 0.11 -1.48 -2.82 114.38 113.23 2a7y h ARG 70 Ca -0.01 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2a7y h ARG 70 Cb 0.36 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.39 2a7y h ARG 70 CO -0.08 0.27 0.00 0.00 0.10 0.00 0.00 179.97 180.26 2a7y h ALA 71 N 0.99 1.00 -0.01 0.08 0.00 -0.73 -2.15 119.26 118.44 2a7y h ALA 71 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 2a7y h ALA 71 Cb 0.07 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.88 2a7y h ALA 71 CO -0.01 0.00 -0.92 0.00 0.00 0.00 0.00 179.25 178.32 2a7y h ALA 72 N 2.24 0.13 -0.44 0.00 0.00 -0.61 0.17 119.26 120.76 2a7y h ALA 72 Ca 0.00 -0.66 0.10 0.00 0.00 0.00 0.00 54.91 54.35 2a7y h ALA 72 Cb 0.73 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2a7y h ALA 72 CO 0.00 0.60 0.30 0.00 0.00 0.00 0.00 179.25 180.16 2a7y h ALA 73 N 0.39 2.19 0.00 0.00 0.00 -1.18 -2.32 119.26 118.35 2a7y h ALA 73 Ca -0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2a7y h ALA 73 Cb 1.58 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 2a7y h ALA 73 CO 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 179.25 179.09 2a7y h ARG 74 N 0.16 0.00 0.33 0.00 2.47 -1.25 -3.39 114.38 112.70 2a7y h ARG 74 Ca 0.20 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.91 2a7y h ARG 74 Cb 0.59 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2a7y h ARG 74 CO -0.03 0.82 -0.20 0.00 0.56 0.00 0.00 179.97 181.12 2a7y h ALA 75 N -0.20 -1.06 -0.84 0.04 0.00 -0.49 -3.30 119.26 113.42 2a7y h ALA 75 Ca -0.01 -0.10 -0.73 0.00 0.00 0.00 0.00 54.91 54.07 2a7y h ALA 75 Cb 0.83 0.31 -0.19 0.00 0.00 0.00 0.00 17.79 18.74 2a7y h ALA 75 CO -0.01 -1.04 1.60 0.41 0.00 0.00 0.00 179.25 180.22 2a7y n GLY 76 N -1.26 5.40 0.30 0.00 0.00 -0.89 -4.40 105.19 104.35 2a7y n GLY 76 Ca -0.06 -2.22 0.14 0.00 0.00 0.00 0.00 46.02 43.88 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 0.88 0.01 0.01 1.61 -0.00 -1.24 -3.77 115.22 112.71 2a7y n HIS 77 Ca 0.55 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.72 58.25 2a7y n HIS 77 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.28 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 -0.25 2.32 -3.25 1.59 0.00 -1.26 -4.94 120.51 114.72 2a7y n ALA 78 Ca 0.20 -0.14 -0.45 0.00 0.00 0.00 0.00 53.44 53.05 2a7y n ALA 78 Cb 0.26 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 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 -2.26 3.57 -2.99 0.00 0.00 -1.26 -5.23 121.76 113.60 2a7y s ALA 79 Ca -0.04 -2.42 0.24 0.00 0.00 0.00 0.00 51.96 49.74 2a7y s ALA 79 Cb 0.01 -3.13 0.21 0.00 0.00 0.00 0.00 23.12 20.21 2a7y s ALA 79 CO 0.06 -1.92 1.27 2.41 0.00 0.00 0.00 175.76 177.58