#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 0.14 0.08 3.17 -3.43 -1.26 -3.76 115.29 110.23 2a7y s HIS 2 Ca 0.00 0.05 0.08 0.00 -0.80 0.00 0.00 55.06 54.39 2a7y s HIS 2 Cb 0.00 -0.26 -0.03 0.00 -1.43 0.00 0.00 32.58 30.86 2a7y s HIS 2 CO 0.00 -0.08 -0.20 0.00 -2.00 0.00 0.00 174.74 172.45 2a7y s ALA 3 N 0.81 1.74 0.29 -1.38 0.00 0.87 -4.83 121.76 119.26 2a7y s ALA 3 Ca -0.07 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 50.76 2a7y s ALA 3 Cb -0.10 -0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.69 2a7y s ALA 3 CO -0.02 0.36 0.07 0.15 0.00 0.00 0.00 175.76 176.32 2a7y s LYS 4 N -1.62 1.53 0.25 0.00 -0.14 -1.26 -4.72 119.74 113.77 2a7y s LYS 4 Ca 0.06 -1.83 -0.18 0.00 -1.36 0.00 0.00 55.97 52.66 2a7y s LYS 4 Cb -0.09 -0.60 -0.08 0.00 -1.68 0.00 0.00 37.83 35.37 2a7y s LYS 4 CO 0.03 -0.22 0.72 0.54 -0.76 0.00 0.00 175.35 175.66 2a7y s VAL 5 N -3.49 4.61 0.00 3.17 0.11 -1.26 -3.81 120.40 119.73 2a7y s VAL 5 Ca 0.36 1.18 0.00 0.00 -2.93 0.00 0.00 61.98 60.59 2a7y s VAL 5 Cb 0.08 -3.79 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 2a7y s VAL 5 CO 0.14 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 2a7y n GLY 6 N 0.43 0.82 3.42 6.54 0.00 -0.34 -5.01 105.19 111.04 2a7y n GLY 6 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.08 2.16 0.09 1.61 1.01 -1.25 -4.97 116.67 113.24 2a7y s ASP 7 Ca 0.00 -1.36 0.04 0.00 0.71 0.00 0.00 52.55 51.94 2a7y s ASP 7 Cb 0.00 -0.04 -0.04 0.00 1.01 0.00 0.00 42.92 43.85 2a7y s ASP 7 CO 0.00 -0.61 0.08 -0.31 0.21 0.00 0.00 175.17 174.54 2a7y s TYR 8 N -3.37 3.16 0.01 4.23 2.02 0.26 -0.54 117.35 123.12 2a7y s TYR 8 Ca 0.36 0.05 -0.04 0.00 -0.37 0.00 0.00 57.07 57.07 2a7y s TYR 8 Cb 0.08 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 2a7y s TYR 8 CO 0.15 0.52 0.23 -1.17 -1.57 0.00 0.00 175.55 173.70 2a7y s LEU 9 N -2.49 4.36 0.04 -1.29 0.20 0.78 -0.39 118.68 119.88 2a7y s LEU 9 Ca 0.29 0.44 0.06 0.00 0.69 0.00 0.00 54.13 55.60 2a7y s LEU 9 Cb -0.12 -2.72 -0.02 0.00 -0.43 0.00 0.00 46.19 42.90 2a7y s LEU 9 CO 0.22 0.23 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.65 2a7y s VAL 10 N -1.36 1.35 0.12 1.68 1.01 0.51 -2.13 120.40 121.58 2a7y s VAL 10 Ca 0.29 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2a7y s VAL 10 Cb -0.13 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2a7y s VAL 10 CO 0.19 0.12 -0.02 -0.69 0.00 0.00 0.00 175.10 174.71 2a7y s VAL 11 N -0.77 0.49 0.00 2.92 1.01 0.43 -2.20 120.40 122.27 2a7y s VAL 11 Ca 0.04 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.10 2a7y s VAL 11 Cb -0.08 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.45 2a7y s VAL 11 CO 0.01 -0.70 0.00 1.17 0.00 0.00 0.00 175.10 175.58 2a7y n LYS 12 N -0.08 0.00 0.00 2.72 3.00 -1.22 -1.89 118.16 120.68 2a7y n LYS 12 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 2a7y n LYS 12 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.65 2a7y n LYS 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2a7y n GLY 13 N 0.92 0.54 2.12 3.14 0.00 -1.25 -4.95 105.19 105.70 2a7y n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.24 2.61 -1.04 -1.26 -4.94 114.28 106.41 2a7y n THR 14 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 2a7y n THR 14 Cb 0.00 -0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 2a7y n THR 14 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2a7y s THR 15 N -1.49 4.99 -1.17 12.58 2.01 -1.26 -4.98 115.64 126.32 2a7y s THR 15 Ca 0.00 -0.31 -0.21 0.00 0.31 0.00 0.00 61.69 61.48 2a7y s THR 15 Cb 0.00 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 2a7y s THR 15 CO 0.00 -0.55 1.82 0.28 -0.69 0.00 0.00 174.62 175.48 2a7y s THR 16 N 2.37 3.76 0.01 -0.82 -1.32 -1.26 -3.81 115.64 114.57 2a7y s THR 16 Ca 0.15 -1.17 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 2a7y s THR 16 Cb -0.17 -4.76 0.00 0.00 -1.51 0.00 0.00 72.50 66.06 2a7y s THR 16 CO 0.14 -1.43 0.00 1.21 -2.21 0.00 0.00 174.62 172.33 2a7y n GLU 17 N 8.45 0.00 -2.04 7.08 0.00 -1.26 -5.05 120.64 127.82 2a7y n GLU 17 Ca 0.44 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 57.23 2a7y n GLU 17 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.88 2a7y n GLU 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2a7y s ARG 18 N -1.03 2.62 -0.68 5.31 1.81 -1.25 -4.92 118.95 120.82 2a7y s ARG 18 Ca 0.00 0.53 -0.21 0.00 -1.72 0.00 0.00 55.73 54.33 2a7y s ARG 18 Cb 0.00 -4.44 0.09 0.00 -0.45 0.00 0.00 34.95 30.14 2a7y s ARG 18 CO 0.00 -2.79 0.92 -3.38 -0.68 0.00 0.00 175.30 169.37 2a7y s HIS 19 N 9.15 2.81 0.00 -0.53 -3.43 -1.26 -4.71 115.29 117.33 2a7y s HIS 19 Ca 0.67 -0.76 0.00 0.00 -0.80 0.00 0.00 55.06 54.17 2a7y s HIS 19 Cb -0.12 -4.22 0.00 0.00 -1.43 0.00 0.00 32.58 26.81 2a7y s HIS 19 CO 0.19 -1.54 0.00 -0.25 -2.00 0.00 0.00 174.74 171.14 2a7y n ASP 20 N 7.20 1.37 -2.94 7.38 8.00 -0.79 -4.91 116.55 131.87 2a7y n ASP 20 Ca -0.02 -0.90 -0.04 0.00 0.71 0.00 0.00 54.79 54.54 2a7y n ASP 20 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 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 -0.28 -2.30 -4.41 -1.24 6.02 -1.23 -0.43 117.38 113.51 2a7y n GLN 21 Ca 0.00 2.02 -0.25 0.00 -0.01 0.00 0.00 57.00 58.76 2a7y n GLN 21 Cb 0.00 -3.89 -0.10 0.00 1.02 0.00 0.00 30.24 27.27 2a7y n GLN 21 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2a7y s HIS 22 N -1.57 2.41 0.15 1.08 3.76 -0.86 -1.98 115.29 118.27 2a7y s HIS 22 Ca 0.06 -0.30 -0.23 0.00 -0.15 0.00 0.00 55.06 54.44 2a7y s HIS 22 Cb -0.01 -1.09 0.08 0.00 1.11 0.00 0.00 32.58 32.67 2a7y s HIS 22 CO 0.56 0.64 1.09 0.00 -0.85 0.00 0.00 174.74 176.18 2a7y s ALA 23 N -2.23 -1.76 -0.22 -1.40 0.00 -0.90 -3.89 121.76 111.35 2a7y s ALA 23 Ca 0.28 -0.27 -0.12 0.00 0.00 0.00 0.00 51.96 51.85 2a7y s ALA 23 Cb -0.06 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 2a7y s ALA 23 CO 0.15 -1.08 0.22 -2.00 0.00 0.00 0.00 175.76 173.05 2a7y s GLU 24 N -2.12 4.13 -0.54 0.00 2.12 -0.19 -0.16 118.70 121.94 2a7y s GLU 24 Ca 0.23 -0.12 -0.23 0.00 0.36 0.00 0.00 54.97 55.22 2a7y s GLU 24 Cb -0.02 -3.52 0.04 0.00 0.26 0.00 0.00 34.13 30.90 2a7y s GLU 24 CO 0.04 0.08 0.87 0.42 -0.54 0.00 0.00 175.26 176.13 2a7y s ILE 25 N 0.99 4.50 -0.08 -3.70 1.01 0.29 -0.41 121.20 123.80 2a7y s ILE 25 Ca 0.11 0.11 0.10 0.00 0.00 0.00 0.00 60.65 60.97 2a7y s ILE 25 Cb -0.13 -4.48 -0.15 0.00 0.01 0.00 0.00 42.46 37.71 2a7y s ILE 25 CO 0.04 -1.03 0.10 2.30 0.00 0.00 0.00 174.94 176.35 2a7y n ILE 26 N 6.06 0.52 -3.99 2.92 -6.64 -1.17 -1.20 119.36 115.85 2a7y n ILE 26 Ca -0.00 -0.40 -0.32 0.00 -1.77 0.00 0.00 62.75 60.26 2a7y n ILE 26 Cb 0.47 -0.43 -0.14 0.00 -1.44 0.00 0.00 39.64 38.09 2a7y n ILE 26 CO 0.00 0.00 0.00 -1.61 -1.77 0.00 0.00 176.55 173.17 2a7y s GLU 27 N -2.42 1.70 -0.49 6.28 2.02 -1.14 -4.86 118.70 119.78 2a7y s GLU 27 Ca -0.05 -1.77 -0.16 0.00 0.02 0.00 0.00 54.97 53.01 2a7y s GLU 27 Cb 0.04 -3.22 0.08 0.00 0.10 0.00 0.00 34.13 31.14 2a7y s GLU 27 CO 0.45 -0.89 0.46 0.08 0.02 0.00 0.00 175.26 175.38 2a7y s VAL 28 N 0.98 5.16 -0.29 2.63 1.01 -1.26 -2.41 120.40 126.23 2a7y s VAL 28 Ca 0.07 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2a7y s VAL 28 Cb -0.20 -4.20 0.28 0.00 0.00 0.00 0.00 36.38 32.25 2a7y s VAL 28 CO -0.07 -0.69 1.77 -1.14 0.00 0.00 0.00 175.10 174.97 2a7y n ARG 29 N 5.40 1.75 -3.66 2.72 0.63 -1.26 -4.78 116.66 117.45 2a7y n ARG 29 Ca -0.12 -1.58 -0.14 0.00 -0.92 0.00 0.00 57.85 55.09 2a7y n ARG 29 Cb 0.43 -1.62 -0.08 0.00 0.45 0.00 0.00 32.46 31.64 2a7y n ARG 29 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2a7y s SER 30 N -0.02 -0.60 0.13 6.15 0.01 -1.26 -4.95 113.70 113.16 2a7y s SER 30 Ca 0.31 1.09 -0.15 0.00 1.31 0.00 0.00 55.95 58.51 2a7y s SER 30 Cb 0.25 1.10 0.00 0.00 0.21 0.00 0.00 66.02 67.58 2a7y s SER 30 CO 0.02 -0.26 1.65 0.00 0.41 0.00 0.00 173.24 175.06 2a7y h ALA 31 N 4.91 0.56 -2.47 1.44 0.00 -1.94 -3.40 119.26 118.36 2a7y h ALA 31 Ca -0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2a7y h ALA 31 Cb 1.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2a7y h ALA 31 CO 0.17 0.23 0.00 -0.25 0.00 0.00 0.00 179.25 179.40 2a7y n ASP 32 N -4.55 0.00 0.00 0.00 8.00 -1.26 -4.82 116.55 113.92 2a7y n ASP 32 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2a7y n ASP 32 Cb 0.20 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 2a7y n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a7y n GLY 33 N 2.35 0.15 3.48 0.44 0.00 -1.25 -0.09 105.19 110.28 2a7y n GLY 33 Ca 0.00 0.70 -0.12 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 -0.64 0.74 1.61 1.04 -1.26 -4.73 113.70 110.46 2a7y s SER 34 Ca 0.00 1.18 -0.15 0.00 0.48 0.00 0.00 55.95 57.46 2a7y s SER 34 Cb 0.00 1.17 0.04 0.00 0.10 0.00 0.00 66.02 67.33 2a7y s SER 34 CO 0.00 -0.21 1.20 -2.65 0.98 0.00 0.00 173.24 172.56 2a7y n PRO 35 N 3.14 0.55 -2.12 4.02 -0.02 -1.26 -4.64 135.00 134.68 2a7y n PRO 35 Ca -0.16 0.25 -0.28 0.00 -2.02 0.00 0.00 63.50 61.30 2a7y n PRO 35 Cb 0.56 -2.44 0.06 0.00 -0.02 0.00 0.00 33.50 31.66 2a7y n PRO 35 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2a7y s PRO 36 N -3.75 2.45 0.04 0.52 0.04 -1.26 -5.11 135.00 127.94 2a7y s PRO 36 Ca 0.77 0.03 0.09 0.00 0.04 0.00 0.00 61.00 61.93 2a7y s PRO 36 Cb -0.33 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 2a7y s PRO 36 CO 0.47 -1.15 -0.26 0.71 0.04 0.00 0.00 177.00 176.81 2a7y s TYR 37 N -3.28 2.31 -0.40 0.56 2.02 -1.05 -4.59 117.35 112.92 2a7y s TYR 37 Ca 0.59 -0.41 -0.15 0.00 -0.37 0.00 0.00 57.07 56.72 2a7y s TYR 37 Cb -0.11 -1.39 0.01 0.00 -0.40 0.00 0.00 41.96 40.08 2a7y s TYR 37 CO 0.47 0.12 0.34 0.08 -1.57 0.00 0.00 175.55 174.99 2a7y s VAL 38 N -0.80 5.20 0.08 0.71 1.01 -1.01 -0.89 120.40 124.70 2a7y s VAL 38 Ca 0.12 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.71 2a7y s VAL 38 Cb -0.10 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2a7y s VAL 38 CO 0.02 -0.29 -0.19 0.54 0.00 0.00 0.00 175.10 175.17 2a7y s VAL 39 N 1.85 1.58 -0.20 2.92 0.11 0.49 -2.90 120.40 124.25 2a7y s VAL 39 Ca 0.08 -1.41 -0.02 0.00 -2.93 0.00 0.00 61.98 57.70 2a7y s VAL 39 Cb -0.18 -1.43 -0.00 0.00 -1.53 0.00 0.00 36.38 33.23 2a7y s VAL 39 CO 0.11 -0.03 -0.10 -0.60 -3.33 0.00 0.00 175.10 171.16 2a7y s ARG 40 N -1.70 3.28 -1.31 1.54 3.52 0.45 -0.92 118.95 123.81 2a7y s ARG 40 Ca 0.05 -0.69 -0.15 0.00 -0.13 0.00 0.00 55.73 54.81 2a7y s ARG 40 Cb -0.10 -2.84 0.10 0.00 -1.56 0.00 0.00 34.95 30.55 2a7y s ARG 40 CO 0.03 -0.14 1.80 0.91 -0.81 0.00 0.00 175.30 177.09 2a7y n TRP 41 N 4.55 4.30 0.08 5.12 7.02 0.45 -1.02 117.44 137.95 2a7y n TRP 41 Ca -0.19 -2.98 -0.11 0.00 -1.02 0.00 0.00 57.50 53.20 2a7y n TRP 41 Cb 0.51 -2.45 -0.03 0.00 -2.42 0.00 0.00 31.31 26.92 2a7y n TRP 41 CO 0.00 0.00 0.00 1.37 -2.02 0.00 0.00 177.69 177.04 2a7y h LEU 42 N 10.87 0.37 0.00 -0.99 -0.00 -1.95 0.46 115.31 124.07 2a7y h LEU 42 Ca 0.44 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 2a7y h LEU 42 Cb 0.79 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 2a7y h LEU 42 CO 1.53 1.12 0.00 1.33 -0.00 0.00 0.00 178.44 182.41 2a7y n VAL 43 N -3.68 0.25 -0.11 0.15 0.24 -1.26 -2.61 118.33 111.32 2a7y n VAL 43 Ca -0.05 0.06 -0.12 0.00 -2.04 0.00 0.00 64.34 62.20 2a7y n VAL 43 Cb 0.83 -0.63 -0.15 0.00 -1.47 0.00 0.00 33.84 32.42 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 -1.47 0.47 0.00 -1.34 5.03 -1.02 -4.97 115.26 111.96 2a7y n ASN 44 Ca 0.07 -0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.49 2a7y n ASN 44 Cb 0.28 0.69 0.00 0.00 -1.02 0.00 0.00 39.78 39.73 2a7y n ASN 44 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a7y n GLY 45 N 1.87 1.42 3.26 7.41 0.00 0.14 -5.12 105.19 114.16 2a7y n GLY 45 Ca -0.35 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 1.31 -0.16 1.61 3.76 0.33 -5.00 115.29 115.15 2a7y s HIS 46 Ca 0.00 -1.20 -0.18 0.00 -0.15 0.00 0.00 55.06 53.53 2a7y s HIS 46 Cb 0.00 -0.73 0.05 0.00 1.11 0.00 0.00 32.58 33.00 2a7y s HIS 46 CO 0.00 -0.40 0.48 -2.00 -0.85 0.00 0.00 174.74 171.97 2a7y s GLU 47 N -4.04 0.61 0.02 1.40 -6.30 -1.26 -0.41 118.70 108.71 2a7y s GLU 47 Ca 0.34 0.57 -0.27 0.00 -2.50 0.00 0.00 54.97 53.10 2a7y s GLU 47 Cb 0.07 0.29 0.09 0.00 0.00 0.00 0.00 34.13 34.59 2a7y s GLU 47 CO 0.10 -0.10 1.24 -2.37 0.02 0.00 0.00 175.26 174.16 2a7y n THR 48 N 2.54 0.00 -3.38 -1.70 5.66 -0.10 -4.96 114.28 112.35 2a7y n THR 48 Ca -0.15 -0.23 -0.44 0.00 -3.05 0.00 0.00 64.05 60.19 2a7y n THR 48 Cb 0.57 0.61 -0.09 0.00 -1.55 0.00 0.00 70.33 69.87 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 -2.02 5.18 0.05 1.09 2.01 -1.26 -0.38 115.64 120.31 2a7y s THR 49 Ca 0.29 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.54 2a7y s THR 49 Cb -0.01 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2a7y s THR 49 CO 0.00 -0.48 0.24 0.54 -0.69 0.00 0.00 174.62 174.23 2a7y s VAL 50 N 1.85 5.35 -0.36 3.82 0.11 -0.07 -4.77 120.40 126.33 2a7y s VAL 50 Ca 0.07 -0.22 0.02 0.00 -2.93 0.00 0.00 61.98 58.93 2a7y s VAL 50 Cb -0.21 -3.60 0.10 0.00 -1.53 0.00 0.00 36.38 31.14 2a7y s VAL 50 CO 0.10 0.18 0.10 -0.31 -3.33 0.00 0.00 175.10 171.84 2a7y s TYR 51 N -1.48 3.71 -0.03 1.54 2.02 -1.26 -2.54 117.35 119.32 2a7y s TYR 51 Ca 0.34 -2.86 -0.22 0.00 -0.37 0.00 0.00 57.07 53.96 2a7y s TYR 51 Cb -0.13 -3.01 -0.23 0.00 -0.40 0.00 0.00 41.96 38.19 2a7y s TYR 51 CO 0.24 -0.95 1.07 -1.35 -1.57 0.00 0.00 175.55 172.99 2a7y h PRO 52 N 7.70 0.28 0.00 -1.71 0.11 -1.96 -3.49 132.00 132.93 2a7y h PRO 52 Ca -0.06 -0.29 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2a7y h PRO 52 Cb 1.02 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2a7y h PRO 52 CO 0.57 0.99 0.00 0.41 -0.21 0.00 0.00 178.00 179.76 2a7y n GLY 53 N 1.03 0.72 3.44 -0.55 0.00 -1.26 -4.87 105.19 103.69 2a7y n GLY 53 Ca -0.10 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.00 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 2.61 -1.36 1.61 0.01 -1.26 -4.76 113.70 106.54 2a7y s SER 54 Ca 0.00 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 55.98 2a7y s SER 54 Cb 0.00 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2a7y s SER 54 CO 0.00 -0.48 0.00 0.47 0.41 0.00 0.00 173.24 173.64 2a7y n ASP 55 N -0.64 -4.52 -4.70 2.44 8.00 -1.26 -3.44 116.55 112.43 2a7y n ASP 55 Ca -0.04 0.26 -0.42 0.00 0.71 0.00 0.00 54.79 55.30 2a7y n ASP 55 Cb 0.65 -3.30 -0.03 0.00 -0.02 0.00 0.00 41.12 38.42 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 -2.53 3.42 0.36 2.24 0.00 -1.23 -4.14 121.76 119.87 2a7y s ALA 56 Ca 0.00 0.70 -0.00 0.00 0.00 0.00 0.00 51.96 52.65 2a7y s ALA 56 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2a7y s ALA 56 CO 0.00 -0.57 0.47 1.55 0.00 0.00 0.00 175.76 177.21 2a7y n VAL 57 N 4.27 0.00 -4.43 0.00 3.14 -0.93 -4.92 118.33 115.45 2a7y n VAL 57 Ca 0.10 -1.95 -0.34 0.00 -2.96 0.00 0.00 64.34 59.19 2a7y n VAL 57 Cb 0.47 1.16 -0.13 0.00 -1.06 0.00 0.00 33.84 34.27 2a7y n VAL 57 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 2a7y s VAL 58 N -2.92 3.52 0.52 1.55 -7.23 -1.26 -0.36 120.40 114.22 2a7y s VAL 58 Ca 0.32 -0.48 0.01 0.00 -1.81 0.00 0.00 61.98 60.01 2a7y s VAL 58 Cb -0.01 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.40 2a7y s VAL 58 CO 0.23 0.49 0.02 0.68 -0.31 0.00 0.00 175.10 176.20 2a7y s VAL 59 N 0.58 1.10 0.10 1.32 -7.23 0.47 -4.92 120.40 111.82 2a7y s VAL 59 Ca -0.05 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 2a7y s VAL 59 Cb -0.15 -2.08 0.01 0.00 0.56 0.00 0.00 36.38 34.72 2a7y s VAL 59 CO 0.03 0.00 0.06 0.35 -0.31 0.00 0.00 175.10 175.23 2a7y n THR 60 N -1.31 0.00 -0.13 5.32 -2.24 -1.26 -0.57 114.28 114.08 2a7y n THR 60 Ca -0.20 -0.41 -0.05 0.00 -2.27 0.00 0.00 64.05 61.12 2a7y n THR 60 Cb 0.67 -0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.80 0.07 -0.48 6.98 0.00 -1.99 -2.65 119.26 121.99 2a7y h ALA 61 Ca -0.07 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2a7y h ALA 61 Cb 0.24 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2a7y h ALA 61 CO 0.11 -0.58 -0.13 1.79 0.00 0.00 0.00 179.25 180.43 2a7y h THR 62 N -0.14 1.27 0.00 0.00 1.35 -2.03 -1.33 112.91 112.03 2a7y h THR 62 Ca 0.21 -1.27 -0.02 0.00 -0.55 0.00 0.00 66.41 64.78 2a7y h THR 62 Cb 0.46 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.98 2a7y h THR 62 CO -0.52 0.44 -0.07 -0.33 -0.25 0.00 0.00 175.52 174.78 2a7y h GLU 63 N 0.79 0.00 -0.04 4.72 4.39 -1.92 -3.15 114.58 119.38 2a7y h GLU 63 Ca 0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 2a7y h GLU 63 Cb 0.69 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2a7y h GLU 63 CO 0.05 0.07 -0.01 1.12 -1.16 0.00 0.00 179.01 179.09 2a7y h HIS 64 N 0.00 0.07 0.04 4.33 2.07 -0.89 -3.32 115.15 117.46 2a7y h HIS 64 Ca -0.00 -0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 2a7y h HIS 64 Cb 0.21 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 30.16 2a7y h HIS 64 CO 0.00 0.41 -0.12 0.00 -3.07 0.00 0.00 177.93 175.14 2a7y h ALA 65 N 0.66 -0.68 0.23 6.11 0.00 -1.53 0.17 119.26 124.22 2a7y h ALA 65 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2a7y h ALA 65 Cb 0.38 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2a7y h ALA 65 CO 0.00 -0.71 -0.11 1.05 0.00 0.00 0.00 179.25 179.48 2a7y h GLU 66 N -0.19 -0.30 0.00 0.00 4.11 -1.79 -2.78 114.58 113.64 2a7y h GLU 66 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2a7y h GLU 66 Cb 0.18 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2a7y h GLU 66 CO -0.06 -0.14 0.00 0.00 0.07 0.00 0.00 179.01 178.88 2a7y h ALA 67 N 0.36 1.00 0.10 1.06 0.00 -1.64 -2.76 119.26 117.38 2a7y h ALA 67 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 2a7y h ALA 67 Cb 0.30 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.12 2a7y h ALA 67 CO 0.05 0.00 -1.15 1.49 0.00 0.00 0.00 179.25 179.65 2a7y h GLU 68 N 0.00 0.60 -0.28 0.00 4.81 -0.44 0.14 114.58 119.42 2a7y h GLU 68 Ca 0.00 -0.78 0.05 0.00 -0.13 0.00 0.00 59.36 58.50 2a7y h GLU 68 Cb 0.53 0.25 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 2a7y h GLU 68 CO 0.00 1.35 -0.01 -0.22 -0.73 0.00 0.00 179.01 179.40 2a7y h LYS 69 N 0.22 0.07 0.00 1.92 3.64 -1.28 0.68 116.57 121.82 2a7y h LYS 69 Ca -0.17 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2a7y h LYS 69 Cb 1.83 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.63 2a7y h LYS 69 CO 0.22 0.05 0.00 -0.09 -2.27 0.00 0.00 179.45 177.36 2a7y h ARG 70 N 0.07 0.00 0.21 1.90 2.43 -1.44 -2.44 114.38 115.12 2a7y h ARG 70 Ca 0.13 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.00 2a7y h ARG 70 Cb 0.18 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2a7y h ARG 70 CO -0.23 0.00 -1.39 0.00 -1.51 0.00 0.00 179.97 176.84 2a7y h ALA 71 N 2.14 -0.08 0.00 2.80 0.00 0.77 0.13 119.26 125.02 2a7y h ALA 71 Ca 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 54.91 54.01 2a7y h ALA 71 Cb 0.35 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2a7y h ALA 71 CO 0.00 0.69 -0.07 0.00 0.00 0.00 0.00 179.25 179.86 2a7y h ALA 72 N 0.12 1.61 0.01 0.00 0.00 -0.55 0.23 119.26 120.68 2a7y h ALA 72 Ca -0.25 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2a7y h ALA 72 Cb 2.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2a7y h ALA 72 CO 0.22 0.09 -0.00 0.00 0.00 0.00 0.00 179.25 179.56 2a7y h ALA 73 N 1.93 -0.01 0.00 0.00 0.00 -1.41 -3.33 119.26 116.44 2a7y h ALA 73 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2a7y h ALA 73 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2a7y h ALA 73 CO 0.01 -0.03 -0.04 -0.09 0.00 0.00 0.00 179.25 179.10 2a7y h ARG 74 N -0.98 0.00 -0.15 0.00 9.65 -0.50 -3.25 114.38 119.15 2a7y h ARG 74 Ca -0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 2a7y h ARG 74 Cb 0.72 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 2a7y h ARG 74 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 179.97 182.77 2a7y h ALA 75 N -1.56 0.21 0.00 2.80 0.00 -0.88 -2.78 119.26 117.05 2a7y h ALA 75 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2a7y h ALA 75 Cb 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2a7y h ALA 75 CO 0.00 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.57 2a7y n GLY 76 N -0.31 -0.89 0.20 0.00 0.00 0.44 -2.50 105.19 102.13 2a7y n GLY 76 Ca -0.05 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.00 0.18 1.61 6.17 -1.52 -3.27 115.15 118.32 2a7y h HIS 77 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 2a7y h HIS 77 Cb 0.15 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.08 2a7y h HIS 77 CO 0.00 0.32 -0.09 0.00 0.71 0.00 0.00 177.93 178.87 2a7y h ALA 78 N 1.68 -0.38 -3.09 5.26 0.00 -1.65 -3.47 119.26 117.61 2a7y h ALA 78 Ca -0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 2a7y h ALA 78 Cb 0.64 0.10 -0.32 0.00 0.00 0.00 0.00 17.79 18.20 2a7y h ALA 78 CO 0.04 -0.36 -0.57 0.00 0.00 0.00 0.00 179.25 178.36 2a7y s ALA 79 N -3.36 -0.36 0.00 0.00 0.00 -1.23 -5.16 121.76 111.64 2a7y s ALA 79 Ca -0.04 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2a7y s ALA 79 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2a7y s ALA 79 CO 0.11 -0.34 0.00 -2.37 0.00 0.00 0.00 175.76 173.15