#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 1.02 -0.24 3.17 3.76 -1.25 -4.57 115.29 117.17 2a7y s HIS 2 Ca 0.00 -0.30 -0.11 0.00 -0.15 0.00 0.00 55.06 54.50 2a7y s HIS 2 Cb 0.00 -0.77 -0.05 0.00 1.11 0.00 0.00 32.58 32.87 2a7y s HIS 2 CO 0.00 -0.17 0.20 0.00 -0.85 0.00 0.00 174.74 173.92 2a7y s ALA 3 N 0.50 3.59 0.20 -1.40 0.00 -0.97 -4.84 121.76 118.85 2a7y s ALA 3 Ca -0.08 -0.87 0.09 0.00 0.00 0.00 0.00 51.96 51.09 2a7y s ALA 3 Cb -0.12 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 2a7y s ALA 3 CO 0.01 -0.28 -0.17 0.15 0.00 0.00 0.00 175.76 175.48 2a7y s LYS 4 N 1.24 1.36 0.37 0.00 1.02 -1.26 -4.59 119.74 117.88 2a7y s LYS 4 Ca 0.09 -1.55 -0.25 0.00 0.02 0.00 0.00 55.97 54.28 2a7y s LYS 4 Cb -0.14 -1.30 -0.09 0.00 -0.52 0.00 0.00 37.83 35.78 2a7y s LYS 4 CO 0.06 0.24 1.05 0.54 -0.92 0.00 0.00 175.35 176.32 2a7y s VAL 5 N -2.57 3.71 0.00 3.17 0.11 -1.26 -3.14 120.40 120.43 2a7y s VAL 5 Ca 0.21 1.40 0.00 0.00 -2.93 0.00 0.00 61.98 60.66 2a7y s VAL 5 Cb -0.03 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 2a7y s VAL 5 CO 0.08 0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 2a7y n GLY 6 N 0.54 0.62 3.12 6.54 0.00 -0.31 -5.00 105.19 110.70 2a7y n GLY 6 Ca 0.03 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 2a7y n GLY 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a7y s ASP 7 N -2.15 1.34 0.18 1.61 2.15 -1.19 -4.96 116.67 113.65 2a7y s ASP 7 Ca 0.00 -0.56 0.01 0.00 0.43 0.00 0.00 52.55 52.43 2a7y s ASP 7 Cb 0.00 -0.02 -0.04 0.00 -0.30 0.00 0.00 42.92 42.56 2a7y s ASP 7 CO 0.00 -0.11 0.33 -0.31 -0.17 0.00 0.00 175.17 174.91 2a7y s TYR 8 N -1.24 3.48 -0.13 -5.34 2.02 0.51 -1.76 117.35 114.90 2a7y s TYR 8 Ca -0.04 0.19 -0.10 0.00 -0.37 0.00 0.00 57.07 56.75 2a7y s TYR 8 Cb -0.10 -1.73 -0.05 0.00 -0.40 0.00 0.00 41.96 39.69 2a7y s TYR 8 CO 0.01 0.46 0.19 -1.17 -1.57 0.00 0.00 175.55 173.47 2a7y s LEU 9 N -3.33 4.34 0.24 -1.29 0.20 0.52 -0.37 118.68 118.98 2a7y s LEU 9 Ca 0.36 0.48 0.02 0.00 0.69 0.00 0.00 54.13 55.68 2a7y s LEU 9 Cb -0.11 -2.18 -0.05 0.00 -0.43 0.00 0.00 46.19 43.42 2a7y s LEU 9 CO 0.29 0.30 0.04 0.54 -0.29 0.00 0.00 176.35 177.23 2a7y s VAL 10 N -0.50 0.81 0.18 1.68 0.11 0.29 -2.19 120.40 120.78 2a7y s VAL 10 Ca 0.15 -2.01 -0.03 0.00 -2.93 0.00 0.00 61.98 57.16 2a7y s VAL 10 Cb -0.12 -2.47 -0.03 0.00 -1.53 0.00 0.00 36.38 32.23 2a7y s VAL 10 CO 0.04 -0.19 0.16 0.54 -3.33 0.00 0.00 175.10 172.31 2a7y s VAL 11 N -3.57 0.04 -0.47 2.04 0.11 -1.10 -1.01 120.40 116.44 2a7y s VAL 11 Ca 0.32 -1.85 0.00 0.00 -2.93 0.00 0.00 61.98 57.52 2a7y s VAL 11 Cb 0.07 -2.26 0.00 0.00 -1.53 0.00 0.00 36.38 32.66 2a7y s VAL 11 CO 0.10 -0.18 0.00 1.17 -3.33 0.00 0.00 175.10 172.87 2a7y n LYS 12 N -0.22 -0.95 -1.07 1.54 4.81 -0.79 -1.78 118.16 119.70 2a7y n LYS 12 Ca -0.02 0.51 -0.15 0.00 -0.87 0.00 0.00 58.31 57.79 2a7y n LYS 12 Cb 0.65 -4.38 -0.11 0.00 0.02 0.00 0.00 35.03 31.21 2a7y n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2a7y n GLY 13 N -1.16 3.38 0.09 3.14 0.00 -1.18 -4.30 105.19 105.17 2a7y n GLY 13 Ca -0.04 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.63 2a7y n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2a7y h THR 14 N 1.82 0.86 -3.48 2.61 2.02 -1.88 -3.46 112.91 111.40 2a7y h THR 14 Ca 0.23 -2.69 -0.59 0.00 0.77 0.00 0.00 66.41 64.13 2a7y h THR 14 Cb 1.20 2.45 -0.33 0.00 -1.74 0.00 0.00 68.15 69.73 2a7y h THR 14 CO 0.42 0.55 -0.84 0.28 0.37 0.00 0.00 175.52 176.29 2a7y s THR 15 N -2.60 1.56 0.00 3.16 -1.32 -1.26 -4.99 115.64 110.19 2a7y s THR 15 Ca -0.06 -0.74 0.00 0.00 -1.21 0.00 0.00 61.69 59.68 2a7y s THR 15 Cb 0.08 -1.37 0.00 0.00 -1.51 0.00 0.00 72.50 69.70 2a7y s THR 15 CO 0.82 0.45 0.00 0.41 -2.21 0.00 0.00 174.62 174.09 2a7y n THR 16 N 3.57 0.00 -3.00 5.08 -1.04 -1.26 -3.66 114.28 113.97 2a7y n THR 16 Ca -0.21 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.82 2a7y n THR 16 Cb 0.52 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.03 2a7y n THR 16 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2a7y s GLU 17 N 0.00 0.50 -0.39 -2.82 -6.30 -1.26 -5.10 118.70 103.33 2a7y s GLU 17 Ca 0.00 -0.15 0.01 0.00 -2.50 0.00 0.00 54.97 52.33 2a7y s GLU 17 Cb 0.00 0.06 0.12 0.00 0.00 0.00 0.00 34.13 34.31 2a7y s GLU 17 CO 0.00 -0.73 0.18 0.50 0.02 0.00 0.00 175.26 175.22 2a7y s ARG 18 N 1.92 1.15 -1.01 4.30 3.52 -1.24 -5.05 118.95 122.53 2a7y s ARG 18 Ca 0.15 -1.72 -0.23 0.00 -0.13 0.00 0.00 55.73 53.80 2a7y s ARG 18 Cb -0.01 -2.35 0.04 0.00 -1.56 0.00 0.00 34.95 31.08 2a7y s ARG 18 CO -0.11 -1.08 1.49 -3.38 -0.81 0.00 0.00 175.30 171.40 2a7y s HIS 19 N 0.79 2.48 0.00 5.12 -3.43 -1.26 -3.08 115.29 115.91 2a7y s HIS 19 Ca 0.14 -0.75 0.00 0.00 -0.80 0.00 0.00 55.06 53.66 2a7y s HIS 19 Cb -0.22 -4.66 0.00 0.00 -1.43 0.00 0.00 32.58 26.28 2a7y s HIS 19 CO -0.08 -1.93 0.00 -3.47 -2.00 0.00 0.00 174.74 167.26 2a7y n ASP 20 N 9.23 0.00 -4.74 7.38 2.03 -0.73 -4.87 116.55 124.84 2a7y n ASP 20 Ca 0.34 0.00 -0.67 0.00 0.52 0.00 0.00 54.79 54.98 2a7y n ASP 20 Cb 0.51 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.81 2a7y n ASP 20 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a7y n GLN 21 N 0.00 0.16 -4.50 -0.67 6.02 -1.26 -3.90 117.38 113.24 2a7y n GLN 21 Ca 0.00 0.06 -0.22 0.00 -0.01 0.00 0.00 57.00 56.83 2a7y n GLN 21 Cb 0.00 -1.59 -0.14 0.00 1.02 0.00 0.00 30.24 29.54 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 3.08 1.40 -0.08 1.08 2.46 -1.24 -2.71 115.29 119.27 2a7y s HIS 22 Ca 1.04 -0.34 -0.30 0.00 0.47 0.00 0.00 55.06 55.94 2a7y s HIS 22 Cb -1.44 -0.85 0.10 0.00 -0.13 0.00 0.00 32.58 30.26 2a7y s HIS 22 CO 0.80 0.04 1.32 0.00 -2.47 0.00 0.00 174.74 174.43 2a7y n ALA 23 N 2.05 -3.79 -2.71 1.58 0.00 -0.93 -4.13 120.51 112.57 2a7y n ALA 23 Ca -0.17 -0.72 -0.36 0.00 0.00 0.00 0.00 53.44 52.19 2a7y n ALA 23 Cb 0.54 0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.00 4.19 -0.59 0.00 2.56 -0.52 -0.35 118.70 121.98 2a7y s GLU 24 Ca 0.31 -0.09 -0.20 0.00 0.00 0.00 0.00 54.97 55.00 2a7y s GLU 24 Cb -0.00 -3.45 0.09 0.00 2.00 0.00 0.00 34.13 32.76 2a7y s GLU 24 CO -0.02 0.21 0.75 0.42 -0.56 0.00 0.00 175.26 176.05 2a7y s ILE 25 N 0.60 4.72 -0.07 -3.70 1.01 -0.72 -0.98 121.20 122.06 2a7y s ILE 25 Ca 0.12 -0.75 0.18 0.00 0.00 0.00 0.00 60.65 60.19 2a7y s ILE 25 Cb -0.12 -4.50 -0.26 0.00 0.01 0.00 0.00 42.46 37.59 2a7y s ILE 25 CO 0.02 -1.13 0.29 2.30 0.00 0.00 0.00 174.94 176.42 2a7y n ILE 26 N 5.65 0.39 -3.81 2.92 -0.00 -1.24 -1.16 119.36 122.11 2a7y n ILE 26 Ca -0.08 -0.52 -0.30 0.00 -0.00 0.00 0.00 62.75 61.85 2a7y n ILE 26 Cb 0.44 -0.13 -0.15 0.00 -0.00 0.00 0.00 39.64 39.79 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 -3.00 0.97 -0.40 6.28 2.02 -1.16 -4.84 118.70 118.58 2a7y s GLU 27 Ca -0.07 -1.07 -0.15 0.00 0.02 0.00 0.00 54.97 53.69 2a7y s GLU 27 Cb 0.10 -2.28 0.02 0.00 0.10 0.00 0.00 34.13 32.06 2a7y s GLU 27 CO 0.75 -0.86 0.34 0.08 0.02 0.00 0.00 175.26 175.59 2a7y s VAL 28 N 1.52 5.21 0.04 2.63 1.01 -1.26 -2.24 120.40 127.30 2a7y s VAL 28 Ca 0.05 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 2a7y s VAL 28 Cb -0.18 -3.94 -0.14 0.00 0.00 0.00 0.00 36.38 32.12 2a7y s VAL 28 CO -0.17 -0.31 1.34 -0.09 0.00 0.00 0.00 175.10 175.87 2a7y h ARG 29 N 8.64 0.36 -4.45 2.72 1.12 -1.87 -3.41 114.38 117.49 2a7y h ARG 29 Ca -0.27 -0.19 -0.61 0.00 -1.11 0.00 0.00 59.98 57.80 2a7y h ARG 29 Cb 1.12 0.01 -0.38 0.00 -0.01 0.00 0.00 29.97 30.71 2a7y h ARG 29 CO 0.74 0.75 -0.80 -1.12 -3.11 0.00 0.00 179.97 176.43 2a7y s SER 30 N -6.14 3.54 0.55 -3.80 0.01 -1.25 -5.01 113.70 101.60 2a7y s SER 30 Ca -0.14 -0.99 0.32 0.00 1.31 0.00 0.00 55.95 56.45 2a7y s SER 30 Cb 0.05 -1.18 1.52 0.00 0.21 0.00 0.00 66.02 66.62 2a7y s SER 30 CO 0.75 -0.19 2.06 0.00 0.41 0.00 0.00 173.24 176.28 2a7y h ALA 31 N 7.98 1.10 0.04 1.44 0.00 -1.81 -3.25 119.26 124.76 2a7y h ALA 31 Ca -0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2a7y h ALA 31 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2a7y h ALA 31 CO 0.44 0.10 -0.02 0.22 0.00 0.00 0.00 179.25 179.99 2a7y h ASP 32 N 0.00 -0.05 0.00 0.00 3.58 -1.89 -2.57 116.42 115.49 2a7y h ASP 32 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2a7y h ASP 32 Cb 0.40 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2a7y h ASP 32 CO 0.01 0.18 0.00 0.61 -2.88 0.00 0.00 179.24 177.16 2a7y n GLY 33 N 1.60 -1.84 3.25 -0.78 0.00 -1.23 -3.65 105.19 102.54 2a7y n GLY 33 Ca -0.01 0.82 -0.10 0.00 0.00 0.00 0.00 46.02 46.73 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 -0.38 1.00 1.61 0.01 -1.26 -5.10 113.70 109.58 2a7y s SER 34 Ca 0.00 0.89 -0.12 0.00 1.31 0.00 0.00 55.95 58.03 2a7y s SER 34 Cb 0.00 0.92 0.19 0.00 0.21 0.00 0.00 66.02 67.34 2a7y s SER 34 CO 0.00 -0.21 1.08 -2.84 0.41 0.00 0.00 173.24 171.68 2a7y s PRO 35 N 1.81 0.42 0.49 12.44 0.02 -1.26 -3.97 135.00 144.95 2a7y s PRO 35 Ca -0.07 0.81 -0.19 0.00 0.02 0.00 0.00 61.00 61.58 2a7y s PRO 35 Cb -0.10 -1.71 -0.09 0.00 0.02 0.00 0.00 34.50 32.62 2a7y s PRO 35 CO -0.12 -2.81 0.98 -2.14 -0.33 0.00 0.00 177.00 172.58 2a7y s PRO 36 N -4.79 3.99 -0.11 5.54 0.02 -1.26 -4.95 135.00 133.45 2a7y s PRO 36 Ca 0.66 1.08 -0.03 0.00 0.02 0.00 0.00 61.00 62.72 2a7y s PRO 36 Cb -0.20 -2.14 -0.03 0.00 0.02 0.00 0.00 34.50 32.14 2a7y s PRO 36 CO 0.59 -0.24 0.02 0.71 -0.33 0.00 0.00 177.00 177.75 2a7y s TYR 37 N -2.38 3.20 -0.45 6.54 2.02 -1.05 -4.24 117.35 120.98 2a7y s TYR 37 Ca 0.61 0.16 -0.16 0.00 -0.37 0.00 0.00 57.07 57.31 2a7y s TYR 37 Cb -0.11 -1.85 0.05 0.00 -0.40 0.00 0.00 41.96 39.65 2a7y s TYR 37 CO 0.24 0.41 0.41 0.08 -1.57 0.00 0.00 175.55 175.11 2a7y s VAL 38 N -0.63 5.17 0.14 0.71 1.01 -0.95 -0.62 120.40 125.23 2a7y s VAL 38 Ca 0.10 -0.74 0.10 0.00 0.00 0.00 0.00 61.98 61.45 2a7y s VAL 38 Cb -0.12 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2a7y s VAL 38 CO 0.02 -0.50 -0.21 0.54 0.00 0.00 0.00 175.10 174.95 2a7y s VAL 39 N 1.87 2.58 -0.08 2.92 0.11 0.44 -2.96 120.40 125.28 2a7y s VAL 39 Ca 0.07 -1.71 0.02 0.00 -2.93 0.00 0.00 61.98 57.44 2a7y s VAL 39 Cb -0.21 -2.19 0.01 0.00 -1.53 0.00 0.00 36.38 32.46 2a7y s VAL 39 CO 0.10 0.03 -0.14 -0.60 -3.33 0.00 0.00 175.10 171.16 2a7y s ARG 40 N -2.28 2.00 -0.52 1.54 3.52 -0.15 -1.46 118.95 121.60 2a7y s ARG 40 Ca 0.18 -0.50 -0.28 0.00 -0.13 0.00 0.00 55.73 54.99 2a7y s ARG 40 Cb -0.10 -1.66 0.01 0.00 -1.56 0.00 0.00 34.95 31.65 2a7y s ARG 40 CO 0.09 0.01 1.41 -1.58 -0.81 0.00 0.00 175.30 174.41 2a7y s TRP 41 N 0.77 2.33 -0.14 5.12 0.52 0.50 -1.44 118.94 126.59 2a7y s TRP 41 Ca -0.12 0.54 -0.14 0.00 0.02 0.00 0.00 56.10 56.40 2a7y s TRP 41 Cb -0.16 -4.37 -0.11 0.00 -1.15 0.00 0.00 33.47 27.68 2a7y s TRP 41 CO 0.02 -1.95 0.18 -0.07 0.02 0.00 0.00 176.95 175.15 2a7y h LEU 42 N 12.82 0.00 -0.09 2.99 3.38 -1.95 0.29 115.31 132.75 2a7y h LEU 42 Ca -0.27 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.36 2a7y h LEU 42 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2a7y h LEU 42 CO 1.15 0.91 -0.04 1.33 0.09 0.00 0.00 178.44 181.88 2a7y n VAL 43 N -4.62 0.00 0.00 1.22 0.24 -1.26 -3.65 118.33 110.26 2a7y n VAL 43 Ca -0.11 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2a7y n VAL 43 Cb 0.33 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 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 -1.13 0.00 0.00 -1.34 3.02 -1.26 -4.93 115.26 109.63 2a7y n ASN 44 Ca 0.15 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2a7y n ASN 44 Cb 0.24 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 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 1.70 0.37 3.57 7.41 0.00 0.00 -5.09 105.19 113.15 2a7y n GLY 45 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 -0.01 0.06 1.61 5.04 -0.65 -4.98 115.29 116.36 2a7y s HIS 46 Ca 0.00 -0.01 0.10 0.00 -1.54 0.00 0.00 55.06 53.61 2a7y s HIS 46 Cb 0.00 0.51 -0.03 0.00 0.04 0.00 0.00 32.58 33.10 2a7y s HIS 46 CO 0.00 -0.06 -0.26 -1.21 -2.34 0.00 0.00 174.74 170.86 2a7y s GLU 47 N -2.10 1.70 0.09 2.88 8.01 -1.26 -0.37 118.70 127.65 2a7y s GLU 47 Ca 0.14 -1.16 -0.25 0.00 0.01 0.00 0.00 54.97 53.72 2a7y s GLU 47 Cb 0.06 -1.95 0.08 0.00 -4.31 0.00 0.00 34.13 28.02 2a7y s GLU 47 CO -0.06 0.49 1.14 -2.37 0.01 0.00 0.00 175.26 174.48 2a7y n THR 48 N 1.58 0.00 -4.15 3.63 5.66 -0.54 -5.00 114.28 115.46 2a7y n THR 48 Ca -0.17 -0.38 -0.34 0.00 -3.05 0.00 0.00 64.05 60.11 2a7y n THR 48 Cb 0.52 0.68 -0.15 0.00 -1.55 0.00 0.00 70.33 69.84 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 -2.04 2.85 0.26 1.09 2.01 -1.26 -0.42 115.64 118.13 2a7y s THR 49 Ca 0.26 -0.68 0.11 0.00 0.31 0.00 0.00 61.69 61.70 2a7y s THR 49 Cb -0.02 -2.25 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 2a7y s THR 49 CO 0.03 0.48 -0.18 0.68 -0.69 0.00 0.00 174.62 174.94 2a7y s VAL 50 N 1.20 2.62 -0.33 3.82 -7.23 0.21 -4.95 120.40 115.74 2a7y s VAL 50 Ca 0.02 -2.27 0.02 0.00 -1.81 0.00 0.00 61.98 57.94 2a7y s VAL 50 Cb -0.14 -2.36 0.10 0.00 0.56 0.00 0.00 36.38 34.54 2a7y s VAL 50 CO -0.05 -0.35 0.07 -0.31 -0.31 0.00 0.00 175.10 174.15 2a7y s TYR 51 N -2.35 2.89 -0.08 2.82 2.02 -1.26 -2.53 117.35 118.86 2a7y s TYR 51 Ca 0.29 -2.47 0.18 0.00 -0.37 0.00 0.00 57.07 54.70 2a7y s TYR 51 Cb -0.06 -2.41 0.35 0.00 -0.40 0.00 0.00 41.96 39.44 2a7y s TYR 51 CO 0.15 -0.92 1.58 -1.00 -1.57 0.00 0.00 175.55 173.79 2a7y h PRO 52 N 7.80 0.00 0.00 -1.71 0.13 -1.97 -3.50 132.00 132.75 2a7y h PRO 52 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2a7y h PRO 52 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2a7y h PRO 52 CO 0.50 0.38 0.00 0.41 -0.23 0.00 0.00 178.00 179.06 2a7y n GLY 53 N 0.86 -1.47 3.92 1.56 0.00 -1.26 -4.94 105.19 103.86 2a7y n GLY 53 Ca 0.01 -2.07 -0.26 0.00 0.00 0.00 0.00 46.02 43.70 2a7y n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a7y s SER 54 N -4.00 5.40 -1.16 1.61 1.04 -1.26 -4.30 113.70 111.02 2a7y s SER 54 Ca 0.00 0.64 -0.06 0.00 0.48 0.00 0.00 55.95 57.01 2a7y s SER 54 Cb 0.00 -1.55 0.01 0.00 0.10 0.00 0.00 66.02 64.58 2a7y s SER 54 CO 0.00 -1.20 1.01 0.47 0.98 0.00 0.00 173.24 174.50 2a7y n ASP 55 N -2.67 -5.08 -4.75 7.02 9.92 -1.26 -4.43 116.55 115.30 2a7y n ASP 55 Ca 0.05 -0.49 -0.39 0.00 -0.53 0.00 0.00 54.79 53.43 2a7y n ASP 55 Cb 0.58 -4.48 -0.05 0.00 -0.64 0.00 0.00 41.12 36.53 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 -3.29 3.42 0.22 2.24 0.00 -1.26 -1.88 121.76 121.21 2a7y s ALA 56 Ca 0.41 0.19 0.09 0.00 0.00 0.00 0.00 51.96 52.66 2a7y s ALA 56 Cb -0.18 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 2a7y s ALA 56 CO 0.64 0.12 -0.17 0.08 0.00 0.00 0.00 175.76 176.42 2a7y s VAL 57 N -0.17 1.99 -0.22 0.00 1.01 -0.18 -4.87 120.40 117.96 2a7y s VAL 57 Ca 0.36 -2.20 -0.09 0.00 0.00 0.00 0.00 61.98 60.05 2a7y s VAL 57 Cb -0.20 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2a7y s VAL 57 CO 0.21 -0.46 0.10 0.68 0.00 0.00 0.00 175.10 175.63 2a7y s VAL 58 N -2.59 4.89 0.48 2.92 -7.23 -1.26 -0.55 120.40 117.06 2a7y s VAL 58 Ca 0.23 0.01 0.04 0.00 -1.81 0.00 0.00 61.98 60.45 2a7y s VAL 58 Cb -0.03 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.62 2a7y s VAL 58 CO 0.09 0.38 0.05 0.68 -0.31 0.00 0.00 175.10 175.99 2a7y s VAL 59 N 0.98 1.54 0.00 1.32 -7.23 0.50 -4.93 120.40 112.59 2a7y s VAL 59 Ca 0.05 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 2a7y s VAL 59 Cb -0.14 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.33 2a7y s VAL 59 CO 0.03 0.00 0.00 1.07 -0.31 0.00 0.00 175.10 175.89 2a7y n THR 60 N -1.21 0.00 -0.06 5.32 5.66 -1.26 -0.37 114.28 122.36 2a7y n THR 60 Ca -0.12 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.78 2a7y n THR 60 Cb 0.67 -0.40 -0.03 0.00 -1.55 0.00 0.00 70.33 69.01 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 0.73 0.29 -0.24 1.79 0.00 -1.98 -0.99 119.26 118.87 2a7y h ALA 61 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2a7y h ALA 61 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2a7y h ALA 61 CO 0.00 -0.21 -0.48 1.79 0.00 0.00 0.00 179.25 180.35 2a7y h THR 62 N 0.30 1.30 0.00 0.00 1.35 -2.02 -1.25 112.91 112.59 2a7y h THR 62 Ca 0.08 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 2a7y h THR 62 Cb -0.00 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 2a7y h THR 62 CO -0.02 0.53 0.00 -0.33 -0.25 0.00 0.00 175.52 175.45 2a7y h GLU 63 N 0.50 0.00 0.12 4.72 5.08 -1.93 -3.28 114.58 119.79 2a7y h GLU 63 Ca 0.03 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.17 2a7y h GLU 63 Cb 1.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.27 2a7y h GLU 63 CO 0.09 0.00 -1.03 1.25 -1.00 0.00 0.00 179.01 178.32 2a7y h HIS 64 N 0.00 0.45 0.11 4.33 2.76 0.01 -3.37 115.15 119.43 2a7y h HIS 64 Ca 0.00 -0.33 -0.00 0.00 -2.20 0.00 0.00 60.37 57.84 2a7y h HIS 64 Cb 0.46 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 2a7y h HIS 64 CO 0.00 1.40 -0.07 0.00 -1.30 0.00 0.00 177.93 177.96 2a7y h ALA 65 N -0.00 -0.96 -0.65 5.26 0.00 -1.49 0.18 119.26 121.60 2a7y h ALA 65 Ca -0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2a7y h ALA 65 Cb 1.64 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 2a7y h ALA 65 CO 0.09 -0.95 0.38 1.05 0.00 0.00 0.00 179.25 179.82 2a7y h GLU 66 N -0.16 0.88 0.00 0.00 -0.00 -1.83 -1.69 114.58 111.77 2a7y h GLU 66 Ca -0.01 -0.08 -0.03 0.00 -0.00 0.00 0.00 59.36 59.24 2a7y h GLU 66 Cb 0.13 -0.19 -0.00 0.00 -0.00 0.00 0.00 28.75 28.69 2a7y h GLU 66 CO 0.02 0.63 -0.15 0.00 -0.00 0.00 0.00 179.01 179.50 2a7y h ALA 67 N 1.52 0.96 0.11 1.06 0.00 -1.71 -2.79 119.26 118.42 2a7y h ALA 67 Ca 0.23 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.74 2a7y h ALA 67 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2a7y h ALA 67 CO -0.04 0.19 -1.20 1.49 0.00 0.00 0.00 179.25 179.68 2a7y h GLU 68 N 0.00 0.26 0.28 0.00 4.81 0.31 0.16 114.58 120.40 2a7y h GLU 68 Ca -0.00 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 2a7y h GLU 68 Cb 0.84 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 2a7y h GLU 68 CO 0.02 1.19 -0.23 0.87 -0.73 0.00 0.00 179.01 180.13 2a7y h LYS 69 N 0.08 -0.48 0.44 1.92 1.57 -1.37 -2.08 116.57 116.65 2a7y h LYS 69 Ca -0.12 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2a7y h LYS 69 Cb 1.92 0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.35 2a7y h LYS 69 CO 0.20 -0.32 -0.22 0.00 -0.57 0.00 0.00 179.45 178.53 2a7y h ARG 70 N -0.50 -0.58 0.00 3.15 2.47 -1.56 -2.78 114.38 114.59 2a7y h ARG 70 Ca -0.04 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2a7y h ARG 70 Cb 0.42 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 2a7y h ARG 70 CO -0.00 -0.38 0.00 0.00 0.56 0.00 0.00 179.97 180.15 2a7y h ALA 71 N -1.69 1.00 0.12 0.04 0.00 -0.83 -2.41 119.26 115.49 2a7y h ALA 71 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 2a7y h ALA 71 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2a7y h ALA 71 CO 0.09 0.00 -1.40 0.00 0.00 0.00 0.00 179.25 177.95 2a7y h ALA 72 N 2.28 0.19 -0.57 0.00 0.00 -1.39 0.16 119.26 119.92 2a7y h ALA 72 Ca 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 54.91 53.97 2a7y h ALA 72 Cb 0.77 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2a7y h ALA 72 CO 0.00 1.06 0.38 0.00 0.00 0.00 0.00 179.25 180.69 2a7y h ALA 73 N 0.53 1.86 0.21 0.00 0.00 -1.16 -1.68 119.26 119.03 2a7y h ALA 73 Ca -0.19 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.39 2a7y h ALA 73 Cb 2.00 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 19.68 2a7y h ALA 73 CO 0.18 0.04 -1.45 0.00 0.00 0.00 0.00 179.25 178.03 2a7y h ARG 74 N 0.53 0.45 0.55 0.00 3.08 -1.43 -3.38 114.38 114.17 2a7y h ARG 74 Ca 0.25 -0.77 -0.02 0.00 0.07 0.00 0.00 59.98 59.51 2a7y h ARG 74 Cb 0.31 0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 2a7y h ARG 74 CO -0.07 1.37 -0.39 0.00 -1.07 0.00 0.00 179.97 179.81 2a7y h ALA 75 N 0.11 -0.93 -0.26 0.04 0.00 -0.31 -2.96 119.26 114.96 2a7y h ALA 75 Ca -0.27 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.22 2a7y h ALA 75 Cb 2.05 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 20.24 2a7y h ALA 75 CO 0.22 -1.05 0.12 0.41 0.00 0.00 0.00 179.25 178.95 2a7y n GLY 76 N -1.51 3.50 0.09 0.00 0.00 -0.66 -4.07 105.19 102.53 2a7y n GLY 76 Ca -0.12 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 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 2.06 0.19 -3.12 1.61 6.17 -1.70 -3.42 115.15 116.93 2a7y h HIS 77 Ca 0.22 -0.14 -0.60 0.00 0.71 0.00 0.00 60.37 60.56 2a7y h HIS 77 Cb 1.03 -0.01 -0.40 0.00 2.52 0.00 0.00 27.41 30.56 2a7y h HIS 77 CO 1.04 1.15 -0.75 0.00 0.71 0.00 0.00 177.93 180.08 2a7y s ALA 78 N -2.65 1.91 -0.34 5.26 0.00 -1.26 -5.05 121.76 119.64 2a7y s ALA 78 Ca -0.04 -2.15 0.01 0.00 0.00 0.00 0.00 51.96 49.78 2a7y s ALA 78 Cb 0.08 -1.77 0.10 0.00 0.00 0.00 0.00 23.12 21.54 2a7y s ALA 78 CO 0.84 -1.85 0.11 0.00 0.00 0.00 0.00 175.76 174.86 2a7y s ALA 79 N 1.00 1.93 0.00 0.00 0.00 -1.26 -4.98 121.76 118.46 2a7y s ALA 79 Ca 0.13 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 50.10 2a7y s ALA 79 Cb -0.21 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.17 2a7y s ALA 79 CO -0.12 -1.73 0.00 2.41 0.00 0.00 0.00 175.76 176.32