#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 0.29 0.00 3.17 3.76 -1.10 -4.25 115.29 117.17 2a7y s HIS 2 Ca 0.00 -0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 2a7y s HIS 2 Cb 0.00 -0.65 -0.00 0.00 1.11 0.00 0.00 32.58 33.04 2a7y s HIS 2 CO 0.00 -0.35 -0.02 0.00 -0.85 0.00 0.00 174.74 173.53 2a7y s ALA 3 N 2.10 0.13 0.12 -1.40 0.00 0.65 -4.98 121.76 118.38 2a7y s ALA 3 Ca 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 2a7y s ALA 3 Cb -0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2a7y s ALA 3 CO -0.06 0.02 0.03 -1.59 0.00 0.00 0.00 175.76 174.16 2a7y s LYS 4 N -0.15 0.90 0.48 0.00 0.00 -1.26 -4.23 119.74 115.48 2a7y s LYS 4 Ca -0.01 -1.42 -0.23 0.00 0.00 0.00 0.00 55.97 54.31 2a7y s LYS 4 Cb -0.01 0.15 -0.07 0.00 0.00 0.00 0.00 37.83 37.90 2a7y s LYS 4 CO -0.00 -0.21 1.28 0.54 0.00 0.00 0.00 175.35 176.95 2a7y s VAL 5 N -3.96 2.58 0.00 1.79 0.11 -1.26 -3.25 120.40 116.40 2a7y s VAL 5 Ca 0.21 0.45 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 2a7y s VAL 5 Cb 0.07 -3.24 0.00 0.00 -1.53 0.00 0.00 36.38 31.68 2a7y s VAL 5 CO 0.00 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 2a7y n GLY 6 N 0.60 0.83 3.01 6.54 0.00 -0.49 -5.02 105.19 110.66 2a7y n GLY 6 Ca 0.08 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 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 0.43 -0.41 -4.20 1.61 8.00 -1.20 -4.95 116.55 115.82 2a7y n ASP 7 Ca 0.00 -3.04 -0.12 0.00 0.71 0.00 0.00 54.79 52.34 2a7y n ASP 7 Cb 0.00 1.48 -0.10 0.00 -0.02 0.00 0.00 41.12 42.48 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 -3.23 1.07 0.00 1.24 1.51 -0.68 -1.04 117.35 116.23 2a7y s TYR 8 Ca 0.35 -1.11 0.01 0.00 -1.01 0.00 0.00 57.07 55.30 2a7y s TYR 8 Cb 0.02 -0.61 -0.01 0.00 -0.11 0.00 0.00 41.96 41.25 2a7y s TYR 8 CO 0.25 -0.34 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.15 2a7y s LEU 9 N -3.12 2.06 0.00 -1.29 0.20 -0.35 -0.63 118.68 115.55 2a7y s LEU 9 Ca 0.24 -0.14 0.08 0.00 0.69 0.00 0.00 54.13 55.00 2a7y s LEU 9 Cb 0.07 -0.07 -0.03 0.00 -0.43 0.00 0.00 46.19 45.73 2a7y s LEU 9 CO 0.03 -0.04 0.27 0.52 -0.29 0.00 0.00 176.35 176.84 2a7y n VAL 10 N 2.71 0.00 -3.89 1.68 0.31 -0.76 -2.02 118.33 116.36 2a7y n VAL 10 Ca -0.15 -2.50 -0.17 0.00 -0.01 0.00 0.00 64.34 61.52 2a7y n VAL 10 Cb 0.58 1.21 -0.16 0.00 -0.91 0.00 0.00 33.84 34.56 2a7y n VAL 10 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2a7y s VAL 11 N -3.36 0.13 0.00 2.52 1.01 0.48 -1.03 120.40 120.16 2a7y s VAL 11 Ca 0.39 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2a7y s VAL 11 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.16 2a7y s VAL 11 CO 0.27 0.14 0.00 0.29 0.00 0.00 0.00 175.10 175.80 2a7y n LYS 12 N 4.19 1.58 0.00 2.72 5.02 -0.20 -1.90 118.16 129.57 2a7y n LYS 12 Ca -0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 2a7y n LYS 12 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 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 4.34 0.78 4.33 0.72 0.00 -1.23 -4.70 105.19 109.43 2a7y n GLY 13 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 1.77 2.61 -1.04 0.19 -4.52 114.28 113.29 2a7y n THR 14 Ca 0.00 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.15 2a7y n THR 14 Cb 0.00 0.00 0.83 0.00 -1.82 0.00 0.00 70.33 69.34 2a7y n THR 14 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2a7y n THR 15 N 0.00 0.00 0.00 12.58 -2.24 -1.26 -4.58 114.28 118.77 2a7y n THR 15 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2a7y n THR 15 Cb 0.00 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 2a7y n THR 15 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2a7y n THR 16 N -1.00 0.00 -4.12 4.28 -1.04 -1.26 -5.10 114.28 106.05 2a7y n THR 16 Ca 0.21 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.87 2a7y n THR 16 Cb 0.10 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.51 2a7y n THR 16 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2a7y s GLU 17 N -0.32 3.63 0.00 -2.82 2.02 -1.26 -5.06 118.70 114.88 2a7y s GLU 17 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 54.97 54.64 2a7y s GLU 17 Cb 0.00 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.15 2a7y s GLU 17 CO 0.00 0.45 0.32 0.54 0.02 0.00 0.00 175.26 176.59 2a7y n ARG 18 N 2.98 0.00 -3.48 1.61 1.74 -1.26 0.55 116.66 118.79 2a7y n ARG 18 Ca -0.18 0.18 -0.24 0.00 -0.77 0.00 0.00 57.85 56.85 2a7y n ARG 18 Cb 0.53 -0.92 -0.13 0.00 -1.02 0.00 0.00 32.46 30.93 2a7y n ARG 18 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2a7y s HIS 19 N -1.00 -0.03 0.38 -1.55 3.76 -1.26 -2.73 115.29 112.86 2a7y s HIS 19 Ca 0.00 -0.54 0.04 0.00 -0.15 0.00 0.00 55.06 54.41 2a7y s HIS 19 Cb 0.00 -0.70 -0.03 0.00 1.11 0.00 0.00 32.58 32.97 2a7y s HIS 19 CO 0.00 -0.86 0.16 -0.51 -0.85 0.00 0.00 174.74 172.68 2a7y s ASP 20 N 2.22 2.39 -0.18 1.40 1.01 -0.80 -4.83 116.67 117.88 2a7y s ASP 20 Ca 0.09 -1.68 -0.09 0.00 0.71 0.00 0.00 52.55 51.58 2a7y s ASP 20 Cb -0.15 0.50 0.03 0.00 1.01 0.00 0.00 42.92 44.32 2a7y s ASP 20 CO -0.34 -0.95 0.18 0.00 0.21 0.00 0.00 175.17 174.26 2a7y n GLN 21 N -0.81 -3.81 -3.71 8.23 6.02 -0.77 -0.38 117.38 122.15 2a7y n GLN 21 Ca -0.02 2.96 -0.20 0.00 -0.01 0.00 0.00 57.00 59.73 2a7y n GLN 21 Cb 0.64 -4.56 -0.18 0.00 1.02 0.00 0.00 30.24 27.17 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 -0.72 0.18 0.28 1.08 2.46 -1.08 -3.04 115.29 114.46 2a7y s HIS 22 Ca -0.21 0.16 0.07 0.00 0.47 0.00 0.00 55.06 55.54 2a7y s HIS 22 Cb 0.01 -0.51 -0.02 0.00 -0.13 0.00 0.00 32.58 31.93 2a7y s HIS 22 CO 0.69 -0.20 0.24 0.00 -2.47 0.00 0.00 174.74 172.99 2a7y n ALA 23 N 5.11 0.61 -3.72 1.58 0.00 -0.86 -3.90 120.51 119.33 2a7y n ALA 23 Ca -0.07 -1.65 -0.21 0.00 0.00 0.00 0.00 53.44 51.51 2a7y n ALA 23 Cb 0.50 1.33 -0.17 0.00 0.00 0.00 0.00 19.45 21.11 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 -3.15 0.43 -0.34 0.00 2.12 -0.95 -1.21 118.70 115.60 2a7y s GLU 24 Ca 0.33 0.12 -0.27 0.00 0.36 0.00 0.00 54.97 55.52 2a7y s GLU 24 Cb 0.02 -0.75 0.01 0.00 0.26 0.00 0.00 34.13 33.67 2a7y s GLU 24 CO 0.24 -0.24 0.97 0.96 -0.54 0.00 0.00 175.26 176.65 2a7y s ILE 25 N 1.65 4.57 -0.79 -3.70 -4.36 -0.20 -1.98 121.20 116.38 2a7y s ILE 25 Ca -0.01 1.41 0.13 0.00 -0.26 0.00 0.00 60.65 61.92 2a7y s ILE 25 Cb -0.13 -4.35 -0.10 0.00 1.25 0.00 0.00 42.46 39.14 2a7y s ILE 25 CO -0.03 -0.49 0.61 2.30 0.24 0.00 0.00 174.94 177.56 2a7y n ILE 26 N 5.90 0.00 -3.73 8.37 -0.00 -1.24 -1.39 119.36 127.27 2a7y n ILE 26 Ca 0.09 -0.25 -0.20 0.00 -0.00 0.00 0.00 62.75 62.39 2a7y n ILE 26 Cb 0.48 1.05 -0.17 0.00 -0.00 0.00 0.00 39.64 40.99 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 -2.04 0.10 -0.05 6.28 -6.30 -0.91 -4.95 118.70 110.83 2a7y s GLU 27 Ca 0.07 0.27 -0.02 0.00 -2.50 0.00 0.00 54.97 52.79 2a7y s GLU 27 Cb 0.10 -0.57 0.03 0.00 0.00 0.00 0.00 34.13 33.69 2a7y s GLU 27 CO 0.47 -0.29 0.04 0.08 0.02 0.00 0.00 175.26 175.58 2a7y s VAL 28 N 1.88 0.05 0.23 3.70 1.01 -1.26 -2.51 120.40 123.50 2a7y s VAL 28 Ca 0.02 0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 2a7y s VAL 28 Cb -0.12 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 35.98 2a7y s VAL 28 CO -0.03 0.19 1.62 0.03 0.00 0.00 0.00 175.10 176.91 2a7y h ARG 29 N 8.40 0.57 -3.21 2.72 2.47 -1.82 -3.45 114.38 120.06 2a7y h ARG 29 Ca -0.15 -0.27 -0.13 0.00 -1.26 0.00 0.00 59.98 58.18 2a7y h ARG 29 Cb 1.12 -0.01 -0.20 0.00 -1.65 0.00 0.00 29.97 29.23 2a7y h ARG 29 CO 0.19 0.84 -0.36 -1.12 0.56 0.00 0.00 179.97 180.08 2a7y s SER 30 N -6.83 -0.11 0.22 7.04 0.01 -1.26 -5.03 113.70 107.73 2a7y s SER 30 Ca -0.07 -0.01 0.26 0.00 1.31 0.00 0.00 55.95 57.44 2a7y s SER 30 Cb 0.13 0.28 0.84 0.00 0.21 0.00 0.00 66.02 67.48 2a7y s SER 30 CO 0.82 -0.41 1.77 0.00 0.41 0.00 0.00 173.24 175.83 2a7y n ALA 31 N 1.40 2.19 -0.28 1.44 0.00 -1.26 -3.95 120.51 120.05 2a7y n ALA 31 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2a7y n ALA 31 Cb 0.56 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.25 0.00 0.00 0.00 -0.08 -1.26 -0.25 116.55 112.70 2a7y n ASP 32 Ca 0.05 0.39 0.00 0.00 -1.51 0.00 0.00 54.79 53.72 2a7y n ASP 32 Cb 0.40 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.50 2a7y n ASP 32 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2a7y n GLY 33 N 1.97 -0.44 2.88 0.27 0.00 -1.25 -2.70 105.19 105.92 2a7y n GLY 33 Ca 0.00 0.51 -0.15 0.00 0.00 0.00 0.00 46.02 46.38 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 0.31 0.71 1.61 0.01 -1.26 -4.87 113.70 110.21 2a7y s SER 34 Ca 0.00 0.32 -0.11 0.00 1.31 0.00 0.00 55.95 57.47 2a7y s SER 34 Cb 0.00 0.23 0.02 0.00 0.21 0.00 0.00 66.02 66.48 2a7y s SER 34 CO 0.00 -0.20 1.07 -2.16 0.41 0.00 0.00 173.24 172.36 2a7y s PRO 35 N 1.73 2.81 0.55 12.44 0.04 -1.26 -4.54 135.00 146.76 2a7y s PRO 35 Ca -0.03 0.87 -0.09 0.00 0.04 0.00 0.00 61.00 61.79 2a7y s PRO 35 Cb -0.12 -1.98 0.13 0.00 0.04 0.00 0.00 34.50 32.57 2a7y s PRO 35 CO -0.06 -1.17 0.64 -2.30 0.04 0.00 0.00 177.00 174.16 2a7y n PRO 36 N -3.17 -1.20 -4.22 0.56 -0.02 -1.26 -5.10 135.00 120.60 2a7y n PRO 36 Ca 0.07 -1.01 -0.13 0.00 -2.02 0.00 0.00 63.50 60.42 2a7y n PRO 36 Cb 0.54 -0.76 -0.10 0.00 -0.02 0.00 0.00 33.50 33.16 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 -2.33 1.21 -0.10 6.00 2.02 -0.99 -4.49 117.35 118.67 2a7y s TYR 37 Ca 0.38 -1.33 -0.03 0.00 -0.37 0.00 0.00 57.07 55.73 2a7y s TYR 37 Cb -0.02 -0.62 0.04 0.00 -0.40 0.00 0.00 41.96 40.96 2a7y s TYR 37 CO 0.28 -0.57 0.05 0.08 -1.57 0.00 0.00 175.55 173.82 2a7y s VAL 38 N -4.07 0.12 0.28 0.71 1.01 -1.05 -2.31 120.40 115.09 2a7y s VAL 38 Ca 0.37 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2a7y s VAL 38 Cb 0.07 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 2a7y s VAL 38 CO 0.11 0.05 0.19 0.54 0.00 0.00 0.00 175.10 176.00 2a7y s VAL 39 N 2.06 0.09 -0.02 2.92 0.11 0.19 -2.13 120.40 123.62 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 -0.14 -2.50 0.02 0.00 -1.53 0.00 0.00 36.38 32.23 2a7y s VAL 39 CO -0.06 0.00 0.00 -0.13 -3.33 0.00 0.00 175.10 171.59 2a7y s ARG 40 N -3.80 0.16 -1.17 1.54 0.52 -0.84 -0.37 118.95 114.99 2a7y s ARG 40 Ca 0.39 0.05 -0.20 0.00 -0.52 0.00 0.00 55.73 55.45 2a7y s ARG 40 Cb 0.05 -0.30 0.05 0.00 0.52 0.00 0.00 34.95 35.28 2a7y s ARG 40 CO 0.19 -0.08 1.62 -1.58 0.02 0.00 0.00 175.30 175.47 2a7y s TRP 41 N 0.65 2.63 0.03 -0.53 0.23 -0.11 -2.25 118.94 119.60 2a7y s TRP 41 Ca -0.06 -1.18 -0.22 0.00 -2.03 0.00 0.00 56.10 52.61 2a7y s TRP 41 Cb -0.09 -4.70 -0.12 0.00 0.03 0.00 0.00 33.47 28.59 2a7y s TRP 41 CO -0.01 -1.85 1.32 -0.07 0.96 0.00 0.00 176.95 177.30 2a7y h LEU 42 N 12.91 -0.67 -1.45 2.99 3.38 -1.92 0.69 115.31 131.24 2a7y h LEU 42 Ca 0.33 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.33 2a7y h LEU 42 Cb 0.94 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 2a7y h LEU 42 CO 1.44 -0.48 0.37 -0.37 0.09 0.00 0.00 178.44 179.48 2a7y h VAL 43 N -0.79 1.14 0.93 1.22 -1.51 -1.91 -1.92 116.25 113.41 2a7y h VAL 43 Ca -0.08 -0.26 -0.05 0.00 -1.23 0.00 0.00 66.70 65.08 2a7y h VAL 43 Cb 0.61 0.33 0.01 0.00 -2.13 0.00 0.00 31.29 30.10 2a7y h VAL 43 CO 0.13 0.14 -0.44 0.78 -1.23 0.00 0.00 177.57 176.95 2a7y h ASN 44 N 0.75 -1.05 0.00 4.19 2.35 -1.86 -3.49 115.58 116.47 2a7y h ASN 44 Ca 0.20 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2a7y h ASN 44 Cb -0.08 0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2a7y h ASN 44 CO -0.04 -0.74 0.00 0.61 -1.65 0.00 0.00 177.43 175.61 2a7y n GLY 45 N -1.54 1.03 3.19 2.83 0.00 0.23 -5.11 105.19 105.82 2a7y n GLY 45 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 1.04 -0.03 1.61 3.76 -0.66 -5.02 115.29 114.00 2a7y s HIS 46 Ca 0.00 -1.26 -0.00 0.00 -0.15 0.00 0.00 55.06 53.65 2a7y s HIS 46 Cb 0.00 -0.55 0.03 0.00 1.11 0.00 0.00 32.58 33.16 2a7y s HIS 46 CO 0.00 -0.52 0.02 -1.83 -0.85 0.00 0.00 174.74 171.56 2a7y s GLU 47 N -4.07 0.13 0.32 1.40 -1.05 -1.26 -0.93 118.70 113.23 2a7y s GLU 47 Ca 0.30 0.15 0.07 0.00 -0.15 0.00 0.00 54.97 55.34 2a7y s GLU 47 Cb 0.07 -0.40 -0.03 0.00 -0.44 0.00 0.00 34.13 33.34 2a7y s GLU 47 CO 0.06 -0.17 0.26 -2.37 0.95 0.00 0.00 175.26 174.00 2a7y n THR 48 N 4.29 0.00 -3.69 1.83 5.66 0.50 -4.98 114.28 117.89 2a7y n THR 48 Ca -0.25 -2.31 -0.23 0.00 -3.05 0.00 0.00 64.05 58.21 2a7y n THR 48 Cb 0.50 1.15 -0.18 0.00 -1.55 0.00 0.00 70.33 70.25 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 -3.28 0.09 0.30 1.09 2.01 -1.26 -0.64 115.64 113.94 2a7y s THR 49 Ca 0.37 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.54 2a7y s THR 49 Cb 0.02 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 2a7y s THR 49 CO 0.26 0.06 0.21 -0.69 -0.69 0.00 0.00 174.62 173.78 2a7y s VAL 50 N 2.08 0.09 -0.21 3.82 1.01 -0.98 -4.98 120.40 121.24 2a7y s VAL 50 Ca 0.04 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 59.97 2a7y s VAL 50 Cb -0.13 -2.49 0.07 0.00 0.00 0.00 0.00 36.38 33.82 2a7y s VAL 50 CO -0.05 0.00 0.09 -0.31 0.00 0.00 0.00 175.10 174.83 2a7y s TYR 51 N -3.64 0.41 0.40 5.22 1.51 -1.26 -2.34 117.35 117.65 2a7y s TYR 51 Ca 0.38 -0.59 -0.27 0.00 -1.01 0.00 0.00 57.07 55.59 2a7y s TYR 51 Cb 0.04 -0.83 -0.10 0.00 -0.11 0.00 0.00 41.96 40.96 2a7y s TYR 51 CO 0.21 -0.62 1.43 -2.14 -1.11 0.00 0.00 175.55 173.32 2a7y s PRO 52 N 2.07 3.96 -1.24 -1.71 0.02 -1.26 -4.92 135.00 131.91 2a7y s PRO 52 Ca 0.03 2.44 -0.07 0.00 0.02 0.00 0.00 61.00 63.42 2a7y s PRO 52 Cb -0.16 -2.84 0.19 0.00 0.02 0.00 0.00 34.50 31.71 2a7y s PRO 52 CO -0.16 -0.60 1.94 0.41 -0.33 0.00 0.00 177.00 178.25 2a7y n GLY 53 N 0.56 5.03 0.94 0.52 0.00 -1.26 -4.95 105.19 106.03 2a7y n GLY 53 Ca 0.03 -2.21 0.12 0.00 0.00 0.00 0.00 46.02 43.96 2a7y n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2a7y n SER 54 N 2.68 -5.65 -3.55 1.61 2.88 -1.26 -4.89 113.62 105.44 2a7y n SER 54 Ca 0.43 0.58 -0.26 0.00 -1.33 0.00 0.00 58.87 58.30 2a7y n SER 54 Cb 0.32 -2.99 0.04 0.00 -0.75 0.00 0.00 64.21 60.83 2a7y n SER 54 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2a7y n ASP 55 N -3.51 -5.45 -4.77 -3.46 9.92 -1.26 -4.54 116.55 103.49 2a7y n ASP 55 Ca -0.02 -0.55 -0.41 0.00 -0.53 0.00 0.00 54.79 53.29 2a7y n ASP 55 Cb 0.44 -4.35 -0.03 0.00 -0.64 0.00 0.00 41.12 36.54 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 -3.23 3.47 0.34 2.24 0.00 -1.26 -1.03 121.76 122.29 2a7y s ALA 56 Ca 0.53 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.71 2a7y s ALA 56 Cb -0.25 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 2a7y s ALA 56 CO 0.66 -0.49 0.27 1.55 0.00 0.00 0.00 175.76 177.74 2a7y n VAL 57 N 0.98 0.00 -3.94 0.00 3.14 -0.19 -4.92 118.33 113.39 2a7y n VAL 57 Ca -0.00 -2.43 -0.15 0.00 -2.96 0.00 0.00 64.34 58.81 2a7y n VAL 57 Cb 0.43 1.17 -0.15 0.00 -1.06 0.00 0.00 33.84 34.23 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 -3.32 0.14 0.35 1.55 1.01 -1.26 -1.84 120.40 117.03 2a7y s VAL 58 Ca 0.38 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.42 2a7y s VAL 58 Cb 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 2a7y s VAL 58 CO 0.27 0.08 0.27 0.68 0.00 0.00 0.00 175.10 176.39 2a7y s VAL 59 N 0.35 0.06 0.12 2.92 -7.23 0.20 -4.94 120.40 111.88 2a7y s VAL 59 Ca -0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 2a7y s VAL 59 Cb -0.05 -2.47 -0.00 0.00 0.56 0.00 0.00 36.38 34.41 2a7y s VAL 59 CO -0.01 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.13 2a7y n THR 60 N -0.69 0.00 -0.07 5.32 -2.24 -1.26 -1.68 114.28 113.65 2a7y n THR 60 Ca 0.06 -0.58 -0.07 0.00 -2.27 0.00 0.00 64.05 61.19 2a7y n THR 60 Cb 0.62 0.12 -0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 1.07 0.30 0.38 6.98 0.00 -1.98 -0.97 119.26 125.04 2a7y h ALA 61 Ca -0.10 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2a7y h ALA 61 Cb 0.31 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2a7y h ALA 61 CO 0.17 -0.34 -0.30 1.79 0.00 0.00 0.00 179.25 180.56 2a7y h THR 62 N 0.18 0.37 -0.30 0.00 1.35 -2.02 -1.70 112.91 110.79 2a7y h THR 62 Ca 0.13 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.08 2a7y h THR 62 Cb 0.12 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 66.90 2a7y h THR 62 CO -0.16 0.00 0.22 -0.33 -0.25 0.00 0.00 175.52 175.00 2a7y h GLU 63 N -0.69 0.00 -0.55 4.72 5.08 -1.96 -2.44 114.58 118.75 2a7y h GLU 63 Ca -0.03 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2a7y h GLU 63 Cb 0.60 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 2a7y h GLU 63 CO -0.01 0.00 0.29 1.25 -1.00 0.00 0.00 179.01 179.54 2a7y h HIS 64 N 0.00 0.53 0.00 4.33 -0.00 -0.21 -3.06 115.15 116.74 2a7y h HIS 64 Ca 0.14 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 2a7y h HIS 64 Cb 0.57 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 2a7y h HIS 64 CO 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 177.93 178.19 2a7y n ALA 65 N -2.33 -0.28 0.33 5.26 0.00 -0.92 -0.42 120.51 122.16 2a7y n ALA 65 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.33 2a7y n ALA 65 Cb 0.14 0.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.57 2a7y n ALA 65 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2a7y h GLU 66 N 0.00 -0.94 -0.12 0.00 4.39 -1.76 -2.77 114.58 113.38 2a7y h GLU 66 Ca 0.00 0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.79 2a7y h GLU 66 Cb 0.00 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2a7y h GLU 66 CO 0.00 -0.62 -0.05 0.00 -1.16 0.00 0.00 179.01 177.18 2a7y h ALA 67 N -1.23 0.07 -0.86 3.43 0.00 -1.63 -2.33 119.26 116.72 2a7y h ALA 67 Ca -0.08 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2a7y h ALA 67 Cb 0.79 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2a7y h ALA 67 CO 0.05 -0.50 0.56 1.49 0.00 0.00 0.00 179.25 180.85 2a7y h GLU 68 N -0.02 0.90 0.13 0.00 4.81 -0.75 0.21 114.58 119.86 2a7y h GLU 68 Ca 0.06 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2a7y h GLU 68 Cb 0.12 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 2a7y h GLU 68 CO -0.14 0.59 -0.10 0.87 -0.73 0.00 0.00 179.01 179.51 2a7y h LYS 69 N 0.93 -0.21 0.59 1.92 1.57 -1.12 0.13 116.57 120.37 2a7y h LYS 69 Ca 0.37 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.15 2a7y h LYS 69 Cb 0.26 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2a7y h LYS 69 CO -0.14 -0.14 -0.42 0.00 -0.57 0.00 0.00 179.45 178.18 2a7y h ARG 70 N -0.22 -0.94 -0.14 3.15 3.08 -1.26 -2.45 114.38 115.60 2a7y h ARG 70 Ca -0.02 0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.14 2a7y h ARG 70 Cb 0.18 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2a7y h ARG 70 CO 0.01 -0.63 0.17 0.00 -1.07 0.00 0.00 179.97 178.45 2a7y h ALA 71 N -0.72 1.72 -0.31 0.04 0.00 -0.69 -0.26 119.26 119.04 2a7y h ALA 71 Ca -0.07 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2a7y h ALA 71 Cb 0.81 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2a7y h ALA 71 CO 0.03 -0.24 -0.42 0.00 0.00 0.00 0.00 179.25 178.63 2a7y h ALA 72 N 1.80 0.47 -0.60 0.00 0.00 -0.26 0.18 119.26 120.85 2a7y h ALA 72 Ca 0.07 -0.46 0.13 0.00 0.00 0.00 0.00 54.91 54.64 2a7y h ALA 72 Cb 0.40 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2a7y h ALA 72 CO -0.00 0.59 0.41 0.00 0.00 0.00 0.00 179.25 180.25 2a7y h ALA 73 N 0.71 2.20 0.21 0.00 0.00 -0.79 -2.84 119.26 118.75 2a7y h ALA 73 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2a7y h ALA 73 Cb 1.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2a7y h ALA 73 CO 0.10 -0.35 -0.10 0.00 0.00 0.00 0.00 179.25 178.89 2a7y h ARG 74 N 0.26 -0.27 -0.75 0.00 -0.00 -0.97 -3.40 114.38 109.26 2a7y h ARG 74 Ca 0.28 0.02 0.14 0.00 -0.50 0.00 0.00 59.98 59.93 2a7y h ARG 74 Cb 0.76 0.06 -0.10 0.00 0.00 0.00 0.00 29.97 30.69 2a7y h ARG 74 CO -0.06 0.02 0.28 0.00 0.00 0.00 0.00 179.97 180.21 2a7y h ALA 75 N -0.71 1.04 -0.30 0.04 0.00 -0.44 -1.09 119.26 117.80 2a7y h ALA 75 Ca -0.03 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2a7y h ALA 75 Cb 0.42 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2a7y h ALA 75 CO 0.05 -0.23 0.12 0.41 0.00 0.00 0.00 179.25 179.60 2a7y n GLY 76 N -1.33 2.50 0.21 0.00 0.00 -1.16 -4.09 105.19 101.32 2a7y n GLY 76 Ca 0.14 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.83 2a7y n GLY 76 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2a7y h HIS 77 N 0.98 0.00 -0.04 1.61 -0.00 -1.39 -3.07 115.15 113.23 2a7y h HIS 77 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.47 2a7y h HIS 77 Cb 1.39 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.79 2a7y h HIS 77 CO 0.52 0.29 -0.27 0.00 -0.00 0.00 0.00 177.93 178.46 2a7y n ALA 78 N -2.42 3.23 -2.30 6.11 0.00 -1.26 -4.89 120.51 118.98 2a7y n ALA 78 Ca -0.02 -3.03 -0.43 0.00 0.00 0.00 0.00 53.44 49.97 2a7y n ALA 78 Cb 0.35 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.20 4.42 0.45 0.00 0.00 -1.16 -4.99 120.51 118.02 2a7y n ALA 79 Ca 0.19 -3.93 0.05 0.00 0.00 0.00 0.00 53.44 49.75 2a7y n ALA 79 Cb 0.71 -3.49 0.04 0.00 0.00 0.00 0.00 19.45 16.72 2a7y n ALA 79 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91