#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 0.51 0.36 3.17 -3.43 -1.25 -4.02 115.29 110.61 2a7y s HIS 2 Ca 0.00 -0.74 0.07 0.00 -0.80 0.00 0.00 55.06 53.59 2a7y s HIS 2 Cb 0.00 -0.92 -0.01 0.00 -1.43 0.00 0.00 32.58 30.22 2a7y s HIS 2 CO 0.00 -0.68 0.44 0.00 -2.00 0.00 0.00 174.74 172.50 2a7y s ALA 3 N 2.03 4.19 0.31 -1.38 0.00 -1.25 -5.02 121.76 120.64 2a7y s ALA 3 Ca 0.05 -1.57 0.03 0.00 0.00 0.00 0.00 51.96 50.47 2a7y s ALA 3 Cb -0.16 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 2a7y s ALA 3 CO -0.21 -0.08 0.14 0.15 0.00 0.00 0.00 175.76 175.77 2a7y s LYS 4 N -4.16 1.60 0.29 0.00 1.02 -1.26 -4.87 119.74 112.36 2a7y s LYS 4 Ca 0.46 -1.91 -0.26 0.00 0.02 0.00 0.00 55.97 54.28 2a7y s LYS 4 Cb -0.08 -0.20 -0.09 0.00 -0.52 0.00 0.00 37.83 36.93 2a7y s LYS 4 CO 0.30 -0.42 0.91 0.54 -0.92 0.00 0.00 175.35 175.76 2a7y s VAL 5 N -3.58 4.25 0.00 3.17 0.11 -1.26 -3.45 120.40 119.63 2a7y s VAL 5 Ca 0.35 1.78 0.00 0.00 -2.93 0.00 0.00 61.98 61.18 2a7y s VAL 5 Cb 0.05 -4.03 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 2a7y s VAL 5 CO 0.17 0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.76 2a7y n GLY 6 N 0.74 0.74 3.89 6.54 0.00 0.24 -5.01 105.19 112.33 2a7y n GLY 6 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.10 4.82 -0.11 1.61 1.01 -1.22 -4.79 116.67 115.89 2a7y s ASP 7 Ca 0.00 -1.00 -0.04 0.00 0.71 0.00 0.00 52.55 52.22 2a7y s ASP 7 Cb 0.00 -0.06 -0.04 0.00 1.01 0.00 0.00 42.92 43.83 2a7y s ASP 7 CO 0.00 -0.90 0.05 -0.31 0.21 0.00 0.00 175.17 174.22 2a7y s TYR 8 N -2.63 3.29 -0.13 4.23 1.51 0.52 -0.41 117.35 123.74 2a7y s TYR 8 Ca 0.43 0.25 -0.09 0.00 -1.01 0.00 0.00 57.07 56.65 2a7y s TYR 8 Cb -0.02 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 2a7y s TYR 8 CO 0.26 0.48 0.18 -1.17 -1.11 0.00 0.00 175.55 174.18 2a7y s LEU 9 N -0.69 4.34 0.13 -1.29 0.20 0.63 -1.38 118.68 120.62 2a7y s LEU 9 Ca 0.12 0.47 0.03 0.00 0.69 0.00 0.00 54.13 55.44 2a7y s LEU 9 Cb -0.12 -2.15 -0.04 0.00 -0.43 0.00 0.00 46.19 43.45 2a7y s LEU 9 CO 0.02 0.32 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.63 2a7y s VAL 10 N -0.59 0.98 -0.05 1.68 1.01 0.44 -2.19 120.40 121.69 2a7y s VAL 10 Ca 0.14 -2.01 0.02 0.00 0.00 0.00 0.00 61.98 60.13 2a7y s VAL 10 Cb -0.12 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.45 2a7y s VAL 10 CO 0.04 -0.76 -0.08 -0.69 0.00 0.00 0.00 175.10 173.60 2a7y s VAL 11 N -3.45 0.80 -1.48 2.92 1.01 0.56 -0.33 120.40 120.44 2a7y s VAL 11 Ca 0.16 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.70 2a7y s VAL 11 Cb 0.04 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.69 2a7y s VAL 11 CO -0.01 0.27 2.34 1.17 0.00 0.00 0.00 175.10 178.87 2a7y n LYS 12 N 3.76 3.04 -3.80 2.72 0.00 0.82 -0.38 118.16 124.32 2a7y n LYS 12 Ca -0.23 -2.58 -0.30 0.00 0.00 0.00 0.00 58.31 55.20 2a7y n LYS 12 Cb 0.52 -3.19 -0.13 0.00 0.00 0.00 0.00 35.03 32.23 2a7y n LYS 12 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2a7y s GLY 13 N 2.89 1.95 -0.62 3.14 0.00 -1.21 -4.85 107.32 108.62 2a7y s GLY 13 Ca 0.51 -2.83 -0.27 0.00 0.00 0.00 0.00 44.72 42.13 2a7y s GLY 13 CO -0.08 1.34 2.48 2.41 0.00 0.00 0.00 173.10 179.25 2a7y n THR 14 N 3.42 -0.07 0.00 0.90 -1.04 -1.25 -4.38 114.28 111.86 2a7y n THR 14 Ca 0.07 -0.62 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 2a7y n THR 14 Cb 0.34 -2.25 0.00 0.00 -1.82 0.00 0.00 70.33 66.60 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 7.90 0.00 0.06 12.58 -1.04 -1.26 -4.88 114.28 127.63 2a7y n THR 15 Ca 0.44 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.44 2a7y n THR 15 Cb 0.43 -0.44 -0.06 0.00 -1.82 0.00 0.00 70.33 68.43 2a7y n THR 15 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2a7y h THR 16 N 0.00 0.78 -3.42 12.58 2.02 -1.95 -3.48 112.91 119.44 2a7y h THR 16 Ca 0.00 -2.30 -0.04 0.00 0.77 0.00 0.00 66.41 64.84 2a7y h THR 16 Cb 0.00 2.28 -0.11 0.00 -1.74 0.00 0.00 68.15 68.58 2a7y h THR 16 CO 0.00 0.44 -0.04 -0.70 0.37 0.00 0.00 175.52 175.59 2a7y s GLU 17 N -2.87 1.34 0.59 6.66 2.56 -1.26 -5.01 118.70 120.70 2a7y s GLU 17 Ca -0.01 -0.93 0.32 0.00 0.00 0.00 0.00 54.97 54.35 2a7y s GLU 17 Cb 0.08 0.49 1.85 0.00 2.00 0.00 0.00 34.13 38.55 2a7y s GLU 17 CO 0.80 -0.55 2.23 0.00 -0.56 0.00 0.00 175.26 177.17 2a7y h ARG 18 N 2.27 0.00 -4.17 4.30 3.08 -1.92 -3.33 114.38 114.61 2a7y h ARG 18 Ca -0.29 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.13 2a7y h ARG 18 Cb 1.25 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.90 2a7y h ARG 18 CO 0.39 0.03 -0.73 -1.01 -1.07 0.00 0.00 179.97 177.58 2a7y s HIS 19 N -4.39 2.92 0.00 3.04 3.76 -1.26 -3.33 115.29 116.03 2a7y s HIS 19 Ca -0.04 -2.52 0.00 0.00 -0.15 0.00 0.00 55.06 52.35 2a7y s HIS 19 Cb 0.14 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.39 2a7y s HIS 19 CO 0.53 -0.91 0.00 -3.47 -0.85 0.00 0.00 174.74 170.04 2a7y n ASP 20 N 4.41 0.64 -2.98 1.40 -0.08 0.49 -4.81 116.55 115.62 2a7y n ASP 20 Ca 0.02 -0.42 -0.01 0.00 -1.51 0.00 0.00 54.79 52.87 2a7y n ASP 20 Cb 0.41 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.87 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 -0.29 -1.85 -4.82 -0.67 3.00 -1.26 -0.32 117.38 111.18 2a7y n GLN 21 Ca 0.00 1.72 -0.25 0.00 -0.01 0.00 0.00 57.00 58.46 2a7y n GLN 21 Cb 0.00 -2.54 -0.15 0.00 0.00 0.00 0.00 30.24 27.55 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 -0.88 1.70 -0.04 1.08 3.76 -1.25 -3.03 115.29 116.62 2a7y s HIS 22 Ca -0.04 -0.33 -0.29 0.00 -0.15 0.00 0.00 55.06 54.25 2a7y s HIS 22 Cb 0.00 -1.07 0.09 0.00 1.11 0.00 0.00 32.58 32.72 2a7y s HIS 22 CO 0.29 0.00 1.30 0.00 -0.85 0.00 0.00 174.74 175.48 2a7y n ALA 23 N 2.39 -3.68 -2.74 -1.40 0.00 -0.93 -4.00 120.51 110.14 2a7y n ALA 23 Ca -0.16 -0.77 -0.36 0.00 0.00 0.00 0.00 53.44 52.16 2a7y n ALA 23 Cb 0.53 0.10 -0.07 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.01 4.10 -0.40 0.00 2.12 -0.17 -0.27 118.70 122.07 2a7y s GLU 24 Ca 0.31 -0.11 -0.17 0.00 0.36 0.00 0.00 54.97 55.36 2a7y s GLU 24 Cb -0.01 -3.39 0.01 0.00 0.26 0.00 0.00 34.13 31.01 2a7y s GLU 24 CO -0.01 0.36 0.42 0.96 -0.54 0.00 0.00 175.26 176.44 2a7y s ILE 25 N 0.17 5.11 -0.05 -3.70 -4.36 0.45 -0.37 121.20 118.44 2a7y s ILE 25 Ca 0.12 -0.26 0.17 0.00 -0.26 0.00 0.00 60.65 60.42 2a7y s ILE 25 Cb -0.12 -3.99 -0.25 0.00 1.25 0.00 0.00 42.46 39.35 2a7y s ILE 25 CO 0.01 -0.35 0.32 2.30 0.24 0.00 0.00 174.94 177.46 2a7y n ILE 26 N 5.39 0.22 -3.94 8.37 -0.00 -1.23 -0.59 119.36 127.58 2a7y n ILE 26 Ca -0.08 -0.45 -0.31 0.00 -0.00 0.00 0.00 62.75 61.92 2a7y n ILE 26 Cb 0.48 -0.03 -0.15 0.00 -0.00 0.00 0.00 39.64 39.94 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 -3.04 1.26 -0.41 6.28 2.12 -1.05 -4.82 118.70 119.04 2a7y s GLU 27 Ca -0.07 -1.65 -0.04 0.00 0.36 0.00 0.00 54.97 53.58 2a7y s GLU 27 Cb 0.10 -2.86 0.11 0.00 0.26 0.00 0.00 34.13 31.74 2a7y s GLU 27 CO 0.71 -0.95 0.22 0.08 -0.54 0.00 0.00 175.26 174.77 2a7y s VAL 28 N 1.10 3.42 -1.71 3.70 1.01 -1.26 -2.51 120.40 124.14 2a7y s VAL 28 Ca 0.11 -1.98 0.16 0.00 0.00 0.00 0.00 61.98 60.27 2a7y s VAL 28 Cb -0.19 -3.31 0.52 0.00 0.00 0.00 0.00 36.38 33.41 2a7y s VAL 28 CO -0.13 -0.67 1.42 -1.14 0.00 0.00 0.00 175.10 174.58 2a7y n ARG 29 N 4.64 2.62 -3.91 2.72 0.63 -1.26 -4.82 116.66 117.28 2a7y n ARG 29 Ca -0.04 -2.10 -0.20 0.00 -0.92 0.00 0.00 57.85 54.59 2a7y n ARG 29 Cb 0.41 -1.56 -0.17 0.00 0.45 0.00 0.00 32.46 31.60 2a7y n ARG 29 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2a7y s SER 30 N -0.92 0.94 0.23 6.15 0.15 -1.26 -5.01 113.70 113.97 2a7y s SER 30 Ca 0.39 -0.05 0.22 0.00 0.70 0.00 0.00 55.95 57.20 2a7y s SER 30 Cb 0.22 -0.32 0.04 0.00 -1.71 0.00 0.00 66.02 64.24 2a7y s SER 30 CO 0.23 -0.13 1.12 0.00 1.20 0.00 0.00 173.24 175.66 2a7y h ALA 31 N 7.66 0.60 0.00 5.45 0.00 -1.89 -3.32 119.26 127.76 2a7y h ALA 31 Ca -0.32 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 2a7y h ALA 31 Cb 1.13 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2a7y h ALA 31 CO 0.38 0.11 -1.40 0.22 0.00 0.00 0.00 179.25 178.57 2a7y h ASP 32 N 0.00 0.00 0.00 0.00 3.58 -1.95 -3.34 116.42 114.71 2a7y h ASP 32 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2a7y h ASP 32 Cb 1.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2a7y h ASP 32 CO 0.01 0.90 0.00 0.61 -2.88 0.00 0.00 179.24 177.88 2a7y n GLY 33 N 1.45 0.77 2.88 -0.78 0.00 -1.25 -1.63 105.19 106.64 2a7y n GLY 33 Ca -0.10 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 2a7y n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a7y s SER 34 N -1.06 0.07 1.03 1.61 0.15 -1.26 -4.80 113.70 109.45 2a7y s SER 34 Ca 0.00 0.27 -0.12 0.00 0.70 0.00 0.00 55.95 56.80 2a7y s SER 34 Cb 0.00 0.16 0.21 0.00 -1.71 0.00 0.00 66.02 64.68 2a7y s SER 34 CO 0.00 -0.16 1.08 -2.16 1.20 0.00 0.00 173.24 173.19 2a7y s PRO 35 N 1.36 0.13 0.53 5.44 0.04 -1.26 -4.63 135.00 136.61 2a7y s PRO 35 Ca -0.07 1.06 -0.13 0.00 0.04 0.00 0.00 61.00 61.90 2a7y s PRO 35 Cb -0.12 -1.66 -0.06 0.00 0.04 0.00 0.00 34.50 32.70 2a7y s PRO 35 CO -0.06 -3.09 0.96 -1.25 0.04 0.00 0.00 177.00 173.61 2a7y s PRO 36 N -4.62 3.79 0.09 0.56 0.05 -1.26 -5.09 135.00 128.52 2a7y s PRO 36 Ca 0.67 0.78 0.10 0.00 0.05 0.00 0.00 61.00 62.61 2a7y s PRO 36 Cb -0.23 -2.16 -0.04 0.00 0.05 0.00 0.00 34.50 32.12 2a7y s PRO 36 CO 0.61 -0.33 -0.27 0.71 0.05 0.00 0.00 177.00 177.77 2a7y s TYR 37 N -2.78 2.32 -0.46 0.56 1.51 -1.05 -4.73 117.35 112.72 2a7y s TYR 37 Ca 0.56 -0.39 -0.16 0.00 -1.01 0.00 0.00 57.07 56.07 2a7y s TYR 37 Cb -0.10 -1.31 0.06 0.00 -0.11 0.00 0.00 41.96 40.49 2a7y s TYR 37 CO 0.39 0.25 0.41 0.08 -1.11 0.00 0.00 175.55 175.58 2a7y s VAL 38 N -0.95 5.18 0.20 0.71 1.01 -1.05 -2.20 120.40 123.30 2a7y s VAL 38 Ca 0.13 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.36 2a7y s VAL 38 Cb -0.10 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 2a7y s VAL 38 CO 0.04 -0.54 -0.09 0.54 0.00 0.00 0.00 175.10 175.05 2a7y s VAL 39 N 1.83 3.17 -0.16 2.92 0.11 0.41 -2.51 120.40 126.17 2a7y s VAL 39 Ca 0.06 -1.75 -0.00 0.00 -2.93 0.00 0.00 61.98 57.36 2a7y s VAL 39 Cb -0.22 -2.59 0.04 0.00 -1.53 0.00 0.00 36.38 32.08 2a7y s VAL 39 CO 0.09 -0.17 -0.06 -0.60 -3.33 0.00 0.00 175.10 171.03 2a7y s ARG 40 N -2.99 1.48 -0.16 1.54 3.52 0.50 -1.36 118.95 121.48 2a7y s ARG 40 Ca 0.26 -0.50 -0.29 0.00 -0.13 0.00 0.00 55.73 55.06 2a7y s ARG 40 Cb -0.08 -1.98 -0.01 0.00 -1.56 0.00 0.00 34.95 31.31 2a7y s ARG 40 CO 0.16 -0.41 1.24 -1.58 -0.81 0.00 0.00 175.30 173.90 2a7y s TRP 41 N 1.63 2.91 -0.15 5.12 0.52 0.47 -1.00 118.94 128.43 2a7y s TRP 41 Ca 0.01 1.06 -0.16 0.00 0.02 0.00 0.00 56.10 57.02 2a7y s TRP 41 Cb -0.15 -3.48 -0.24 0.00 -1.15 0.00 0.00 33.47 28.45 2a7y s TRP 41 CO -0.08 -1.59 0.38 -0.07 0.02 0.00 0.00 176.95 175.61 2a7y h LEU 42 N 9.60 0.22 -0.43 2.99 3.38 -1.95 -0.15 115.31 128.97 2a7y h LEU 42 Ca -0.26 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 56.96 2a7y h LEU 42 Cb 1.10 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2a7y h LEU 42 CO 0.96 1.60 -0.31 1.33 0.09 0.00 0.00 178.44 182.11 2a7y n VAL 43 N -4.05 0.00 -0.08 1.22 0.24 -1.26 -3.55 118.33 110.85 2a7y n VAL 43 Ca -0.29 -0.11 -0.20 0.00 -2.04 0.00 0.00 64.34 61.70 2a7y n VAL 43 Cb 0.83 0.42 -0.13 0.00 -1.47 0.00 0.00 33.84 33.49 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 -0.77 2.04 -0.97 -1.34 3.02 -1.26 -4.83 115.26 111.15 2a7y n ASN 44 Ca 0.11 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2a7y n ASN 44 Cb 0.35 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 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 2.12 0.62 3.58 7.41 0.00 -0.11 -5.05 105.19 113.77 2a7y n GLY 45 Ca -0.40 -0.45 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.65 -0.23 0.04 1.61 5.04 -0.92 -4.99 115.29 113.19 2a7y s HIS 46 Ca 0.00 0.30 0.06 0.00 -1.54 0.00 0.00 55.06 53.87 2a7y s HIS 46 Cb 0.00 0.49 -0.03 0.00 0.04 0.00 0.00 32.58 33.08 2a7y s HIS 46 CO 0.00 -0.27 -0.12 -1.21 -2.34 0.00 0.00 174.74 170.80 2a7y s GLU 47 N -1.76 2.27 0.08 2.88 2.02 -1.26 -0.40 118.70 122.54 2a7y s GLU 47 Ca 0.05 -0.89 -0.26 0.00 0.02 0.00 0.00 54.97 53.89 2a7y s GLU 47 Cb -0.01 -2.34 0.09 0.00 0.10 0.00 0.00 34.13 31.97 2a7y s GLU 47 CO -0.04 0.56 1.15 -0.08 0.02 0.00 0.00 175.26 176.87 2a7y s THR 48 N -1.02 0.00 -0.29 3.63 -1.32 -0.46 -5.02 115.64 111.16 2a7y s THR 48 Ca 0.17 -0.39 -0.07 0.00 -1.21 0.00 0.00 61.69 60.19 2a7y s THR 48 Cb -0.11 -2.68 0.01 0.00 -1.51 0.00 0.00 72.50 68.21 2a7y s THR 48 CO 0.08 0.00 0.07 -0.89 -2.21 0.00 0.00 174.62 171.68 2a7y s THR 49 N -2.26 3.93 0.37 5.08 2.01 -1.26 -0.44 115.64 123.07 2a7y s THR 49 Ca 0.22 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.58 2a7y s THR 49 Cb -0.01 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 2a7y s THR 49 CO 0.02 0.10 0.06 0.68 -0.69 0.00 0.00 174.62 174.79 2a7y s VAL 50 N 1.50 1.14 -0.34 3.82 -7.23 -0.94 -4.99 120.40 113.36 2a7y s VAL 50 Ca 0.03 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.24 2a7y s VAL 50 Cb -0.17 -2.66 0.10 0.00 0.56 0.00 0.00 36.38 34.21 2a7y s VAL 50 CO 0.02 0.00 0.05 -0.31 -0.31 0.00 0.00 175.10 174.55 2a7y s TYR 51 N -3.18 3.76 0.19 2.82 1.51 -1.26 -2.53 117.35 118.66 2a7y s TYR 51 Ca 0.31 -2.99 -0.09 0.00 -1.01 0.00 0.00 57.07 53.29 2a7y s TYR 51 Cb 0.07 -2.93 0.08 0.00 -0.11 0.00 0.00 41.96 39.08 2a7y s TYR 51 CO 0.14 -0.95 1.65 -1.00 -1.11 0.00 0.00 175.55 174.29 2a7y h PRO 52 N 7.62 1.07 0.00 -1.71 0.13 -1.94 -3.42 132.00 133.76 2a7y h PRO 52 Ca -0.04 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2a7y h PRO 52 Cb 1.02 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2a7y h PRO 52 CO 0.52 1.04 0.00 0.41 -0.23 0.00 0.00 178.00 179.74 2a7y n GLY 53 N -0.44 -0.54 3.98 1.56 0.00 -1.26 -4.90 105.19 103.59 2a7y n GLY 53 Ca 0.03 -2.15 -0.21 0.00 0.00 0.00 0.00 46.02 43.69 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 5.42 -1.17 1.61 0.01 -1.26 -4.49 113.70 109.82 2a7y s SER 54 Ca 0.00 -0.05 -0.02 0.00 1.31 0.00 0.00 55.95 57.20 2a7y s SER 54 Cb 0.00 -0.93 0.00 0.00 0.21 0.00 0.00 66.02 65.31 2a7y s SER 54 CO 0.00 -1.01 0.21 0.47 0.41 0.00 0.00 173.24 173.32 2a7y n ASP 55 N -2.22 -4.59 -4.62 2.44 8.00 -1.26 -4.23 116.55 110.07 2a7y n ASP 55 Ca 0.07 -0.11 -0.43 0.00 0.71 0.00 0.00 54.79 55.03 2a7y n ASP 55 Cb 0.59 -3.60 -0.02 0.00 -0.02 0.00 0.00 41.12 38.07 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 -2.85 3.30 0.30 2.24 0.00 -1.26 -0.13 121.76 123.35 2a7y s ALA 56 Ca 0.10 -0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.09 2a7y s ALA 56 Cb -0.05 -3.81 -0.02 0.00 0.00 0.00 0.00 23.12 19.25 2a7y s ALA 56 CO 0.13 -1.91 0.43 0.08 0.00 0.00 0.00 175.76 174.50 2a7y s VAL 57 N 4.50 4.71 0.13 0.00 1.01 0.55 -4.78 120.40 126.52 2a7y s VAL 57 Ca 0.55 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.67 2a7y s VAL 57 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2a7y s VAL 57 CO 0.25 -0.28 -0.01 -0.69 0.00 0.00 0.00 175.10 174.37 2a7y s VAL 58 N -2.11 3.80 0.30 2.92 1.01 -1.26 -0.42 120.40 124.63 2a7y s VAL 58 Ca 0.40 -1.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 2a7y s VAL 58 Cb -0.09 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.44 2a7y s VAL 58 CO 0.31 0.02 0.52 0.54 0.00 0.00 0.00 175.10 176.48 2a7y s VAL 59 N -1.48 0.00 0.60 2.92 0.11 -0.48 -4.94 120.40 117.13 2a7y s VAL 59 Ca 0.26 -1.41 -0.02 0.00 -2.93 0.00 0.00 61.98 57.88 2a7y s VAL 59 Cb -0.11 -2.43 0.04 0.00 -1.53 0.00 0.00 36.38 32.35 2a7y s VAL 59 CO 0.18 0.00 0.86 0.42 -3.33 0.00 0.00 175.10 173.23 2a7y s THR 60 N -3.49 2.66 0.05 5.04 -4.23 -1.26 -0.35 115.64 114.07 2a7y s THR 60 Ca 0.24 -0.48 -0.19 0.00 -1.18 0.00 0.00 61.69 60.07 2a7y s THR 60 Cb -0.01 -3.05 -0.09 0.00 1.34 0.00 0.00 72.50 70.69 2a7y s THR 60 CO 0.13 -0.04 1.30 0.00 -0.54 0.00 0.00 174.62 175.47 2a7y h ALA 61 N -0.15 -0.87 0.00 3.99 0.00 -1.92 -3.29 119.26 117.02 2a7y h ALA 61 Ca -0.43 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 2a7y h ALA 61 Cb 1.30 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 2a7y h ALA 61 CO 0.56 -0.92 -0.67 1.79 0.00 0.00 0.00 179.25 180.00 2a7y h THR 62 N -0.47 1.37 0.64 0.00 1.35 -1.98 -1.93 112.91 111.88 2a7y h THR 62 Ca -0.02 -2.39 -0.03 0.00 -0.55 0.00 0.00 66.41 63.42 2a7y h THR 62 Cb 0.44 2.33 -0.00 0.00 -1.73 0.00 0.00 68.15 69.19 2a7y h THR 62 CO -0.11 0.66 -0.37 -0.33 -0.25 0.00 0.00 175.52 175.12 2a7y h GLU 63 N 0.00 -0.90 0.00 4.72 5.08 -1.99 -3.12 114.58 118.38 2a7y h GLU 63 Ca -0.01 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2a7y h GLU 63 Cb 1.28 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.73 2a7y h GLU 63 CO 0.09 -0.60 -0.16 0.45 -1.00 0.00 0.00 179.01 177.79 2a7y h HIS 64 N -0.93 0.00 -0.89 4.33 3.86 -1.68 -3.40 115.15 116.43 2a7y h HIS 64 Ca -0.09 0.00 0.23 0.00 -1.16 0.00 0.00 60.37 59.36 2a7y h HIS 64 Cb 0.74 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.05 2a7y h HIS 64 CO -0.03 0.00 0.06 0.00 0.86 0.00 0.00 177.93 178.83 2a7y h ALA 65 N 2.38 1.07 -0.18 2.45 0.00 -1.28 0.32 119.26 124.03 2a7y h ALA 65 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2a7y h ALA 65 Cb 0.81 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2a7y h ALA 65 CO 0.00 -0.50 0.08 0.93 0.00 0.00 0.00 179.25 179.76 2a7y h GLU 66 N 0.08 0.17 0.00 0.00 4.39 -1.78 0.41 114.58 117.85 2a7y h GLU 66 Ca 0.53 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.22 2a7y h GLU 66 Cb 1.04 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 2a7y h GLU 66 CO -0.79 0.11 0.00 0.00 -1.16 0.00 0.00 179.01 177.17 2a7y h ALA 67 N 1.10 1.00 -0.16 3.43 0.00 -0.83 -1.08 119.26 122.71 2a7y h ALA 67 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 2a7y h ALA 67 Cb 0.03 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2a7y h ALA 67 CO -0.06 0.00 -0.69 1.49 0.00 0.00 0.00 179.25 179.99 2a7y h GLU 68 N 0.00 0.74 -0.28 0.00 4.22 0.28 0.18 114.58 119.73 2a7y h GLU 68 Ca 0.00 -0.59 0.06 0.00 0.08 0.00 0.00 59.36 58.91 2a7y h GLU 68 Cb 0.20 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 2a7y h GLU 68 CO 0.00 1.20 -0.11 -0.22 -2.18 0.00 0.00 179.01 177.71 2a7y h LYS 69 N 0.46 -0.06 0.31 1.92 3.64 0.12 0.18 116.57 123.14 2a7y h LYS 69 Ca -0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2a7y h LYS 69 Cb 1.32 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2a7y h LYS 69 CO 0.14 -0.04 -0.15 0.00 -2.27 0.00 0.00 179.45 177.14 2a7y h ARG 70 N -0.06 -0.40 0.00 1.90 3.08 -1.48 -2.75 114.38 114.67 2a7y h ARG 70 Ca 0.14 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2a7y h ARG 70 Cb 0.27 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2a7y h ARG 70 CO -0.32 -0.27 0.00 0.00 -1.07 0.00 0.00 179.97 178.31 2a7y h ALA 71 N -1.72 1.00 0.09 0.04 0.00 -0.62 -1.01 119.26 117.03 2a7y h ALA 71 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 2a7y h ALA 71 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2a7y h ALA 71 CO 0.07 0.00 -1.29 0.00 0.00 0.00 0.00 179.25 178.03 2a7y h ALA 72 N 2.17 0.24 -0.67 0.00 0.00 -0.74 0.18 119.26 120.43 2a7y h ALA 72 Ca 0.00 -0.98 0.14 0.00 0.00 0.00 0.00 54.91 54.07 2a7y h ALA 72 Cb 0.45 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2a7y h ALA 72 CO 0.00 1.11 0.46 0.00 0.00 0.00 0.00 179.25 180.82 2a7y h ALA 73 N 0.67 2.20 0.12 0.00 0.00 -0.88 0.19 119.26 121.56 2a7y h ALA 73 Ca -0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2a7y h ALA 73 Cb 1.94 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.69 2a7y h ALA 73 CO 0.17 -0.38 -0.06 -0.09 0.00 0.00 0.00 179.25 178.90 2a7y h ARG 74 N 0.31 -0.15 -0.41 0.00 2.43 -1.33 -3.33 114.38 111.91 2a7y h ARG 74 Ca 0.32 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.59 2a7y h ARG 74 Cb 0.84 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.34 2a7y h ARG 74 CO -0.08 0.15 -0.19 0.00 -1.51 0.00 0.00 179.97 178.34 2a7y h ALA 75 N -0.70 0.13 -0.00 2.80 0.00 -0.26 -0.79 119.26 120.44 2a7y h ALA 75 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2a7y h ALA 75 Cb 0.37 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2a7y h ALA 75 CO 0.03 -0.55 0.00 0.41 0.00 0.00 0.00 179.25 179.14 2a7y n GLY 76 N -1.37 -0.99 0.08 0.00 0.00 0.63 -2.64 105.19 100.90 2a7y n GLY 76 Ca 0.02 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.69 0.68 -1.95 1.61 -0.00 -0.31 -5.02 115.22 109.53 2a7y n HIS 77 Ca 0.10 0.20 0.00 0.00 -0.00 0.00 0.00 57.72 58.02 2a7y n HIS 77 Cb 0.05 -0.84 0.00 0.00 -0.00 0.00 0.00 29.99 29.20 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 -2.22 0.00 -1.49 1.57 0.00 -1.08 -5.06 120.51 112.22 2a7y n ALA 78 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2a7y n ALA 78 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -3.00 1.42 -1.26 0.00 0.00 -1.26 -4.56 120.51 111.85 2a7y n ALA 79 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2a7y n ALA 79 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.26 2a7y n ALA 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75