#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 3.22 0.13 3.17 3.76 -1.26 -3.21 115.29 121.09 2a7y s HIS 2 Ca 0.00 -0.19 0.07 0.00 -0.15 0.00 0.00 55.06 54.78 2a7y s HIS 2 Cb 0.00 -2.58 -0.04 0.00 1.11 0.00 0.00 32.58 31.07 2a7y s HIS 2 CO 0.00 -0.43 -0.16 0.00 -0.85 0.00 0.00 174.74 173.30 2a7y s ALA 3 N 1.84 1.64 0.42 -1.40 0.00 -1.26 -5.01 121.76 117.99 2a7y s ALA 3 Ca 0.08 -1.32 0.04 0.00 0.00 0.00 0.00 51.96 50.77 2a7y s ALA 3 Cb -0.17 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 2a7y s ALA 3 CO 0.11 0.17 0.03 0.15 0.00 0.00 0.00 175.76 176.22 2a7y s LYS 4 N -2.55 1.96 0.21 0.00 -0.14 -1.26 -5.00 119.74 112.95 2a7y s LYS 4 Ca 0.10 -2.16 -0.30 0.00 -1.36 0.00 0.00 55.97 52.25 2a7y s LYS 4 Cb -0.06 -1.32 -0.08 0.00 -1.68 0.00 0.00 37.83 34.68 2a7y s LYS 4 CO 0.04 -0.22 1.15 0.54 -0.76 0.00 0.00 175.35 176.10 2a7y s VAL 5 N -2.94 3.62 0.00 3.17 0.11 -1.26 -2.74 120.40 120.36 2a7y s VAL 5 Ca 0.26 1.43 0.00 0.00 -2.93 0.00 0.00 61.98 60.74 2a7y s VAL 5 Cb 0.06 -3.91 0.00 0.00 -1.53 0.00 0.00 36.38 31.00 2a7y s VAL 5 CO 0.13 0.26 0.00 0.61 -3.33 0.00 0.00 175.10 172.77 2a7y n GLY 6 N 1.89 0.82 3.80 6.54 0.00 -0.17 -5.00 105.19 113.06 2a7y n GLY 6 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.17 5.26 0.02 1.61 1.01 -1.11 -4.52 116.67 116.78 2a7y s ASP 7 Ca 0.00 -0.41 -0.00 0.00 0.71 0.00 0.00 52.55 52.85 2a7y s ASP 7 Cb 0.00 -1.16 -0.04 0.00 1.01 0.00 0.00 42.92 42.73 2a7y s ASP 7 CO 0.00 -0.14 0.11 -0.31 0.21 0.00 0.00 175.17 175.04 2a7y s TYR 8 N -2.23 3.33 -0.17 4.23 1.51 0.52 -0.31 117.35 124.22 2a7y s TYR 8 Ca 0.35 0.21 -0.10 0.00 -1.01 0.00 0.00 57.07 56.52 2a7y s TYR 8 Cb -0.07 -1.73 -0.05 0.00 -0.11 0.00 0.00 41.96 40.00 2a7y s TYR 8 CO 0.24 0.56 0.15 -1.17 -1.11 0.00 0.00 175.55 174.23 2a7y s LEU 9 N -1.96 4.26 0.06 -1.29 0.20 0.64 -1.41 118.68 119.19 2a7y s LEU 9 Ca 0.26 0.33 0.06 0.00 0.69 0.00 0.00 54.13 55.47 2a7y s LEU 9 Cb -0.12 -2.12 -0.03 0.00 -0.43 0.00 0.00 46.19 43.49 2a7y s LEU 9 CO 0.17 0.23 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.61 2a7y s VAL 10 N -0.01 1.36 -0.47 1.68 1.01 0.21 -2.42 120.40 121.75 2a7y s VAL 10 Ca 0.11 -1.23 -0.11 0.00 0.00 0.00 0.00 61.98 60.75 2a7y s VAL 10 Cb -0.12 -1.23 0.11 0.00 0.00 0.00 0.00 36.38 35.14 2a7y s VAL 10 CO 0.00 -0.02 0.36 -0.69 0.00 0.00 0.00 175.10 174.76 2a7y s VAL 11 N -1.00 4.52 0.22 2.92 1.01 0.52 -0.33 120.40 128.26 2a7y s VAL 11 Ca 0.03 -1.57 -0.04 0.00 0.00 0.00 0.00 61.98 60.40 2a7y s VAL 11 Cb -0.09 -3.88 0.06 0.00 0.00 0.00 0.00 36.38 32.47 2a7y s VAL 11 CO 0.02 -0.71 1.67 0.50 0.00 0.00 0.00 175.10 176.58 2a7y h LYS 12 N 8.56 0.81 -0.27 2.72 3.11 -0.57 -0.95 116.57 129.98 2a7y h LYS 12 Ca -0.24 -0.29 0.01 0.00 -2.81 0.00 0.00 60.65 57.32 2a7y h LYS 12 Cb 1.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.25 2a7y h LYS 12 CO 0.87 0.90 -0.08 0.41 -2.81 0.00 0.00 179.45 178.75 2a7y n GLY 13 N -0.37 -2.79 0.10 5.01 0.00 -1.11 -4.30 105.19 101.73 2a7y n GLY 13 Ca 0.01 -1.34 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.85 1.50 -0.78 2.61 -1.04 -1.26 -4.63 114.28 108.83 2a7y n THR 14 Ca -0.00 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.21 2a7y n THR 14 Cb 0.04 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 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 -2.95 0.07 0.08 12.58 -1.04 -1.26 -4.84 114.28 116.93 2a7y n THR 15 Ca -0.29 -0.15 -0.03 0.00 -2.04 0.00 0.00 64.05 61.54 2a7y n THR 15 Cb 1.10 1.49 -0.06 0.00 -1.82 0.00 0.00 70.33 71.04 2a7y n THR 15 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2a7y h THR 16 N 1.29 1.25 0.00 12.58 1.03 -1.85 -3.47 112.91 123.75 2a7y h THR 16 Ca 0.00 -2.82 0.00 0.00 -0.01 0.00 0.00 66.41 63.58 2a7y h THR 16 Cb 0.55 2.61 0.00 0.00 -1.07 0.00 0.00 68.15 70.24 2a7y h THR 16 CO 0.00 0.71 0.00 -1.84 -0.01 0.00 0.00 175.52 174.38 2a7y n GLU 17 N -3.25 0.00 -2.15 0.00 -0.00 -1.26 -4.82 120.64 109.15 2a7y n GLU 17 Ca -0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.16 56.75 2a7y n GLU 17 Cb 0.86 -0.25 -0.03 0.00 -0.00 0.00 0.00 31.44 32.02 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 0.00 3.03 -1.07 3.44 1.81 -1.26 -4.91 118.95 119.98 2a7y s ARG 18 Ca 0.00 0.75 -0.22 0.00 -1.72 0.00 0.00 55.73 54.54 2a7y s ARG 18 Cb 0.00 -4.25 0.02 0.00 -0.45 0.00 0.00 34.95 30.27 2a7y s ARG 18 CO 0.00 -2.25 1.66 -1.01 -0.68 0.00 0.00 175.30 173.02 2a7y s HIS 19 N 7.52 2.39 0.00 -0.53 3.76 -1.26 -4.81 115.29 122.36 2a7y s HIS 19 Ca 0.65 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.96 2a7y s HIS 19 Cb -0.14 -4.52 0.00 0.00 1.11 0.00 0.00 32.58 29.03 2a7y s HIS 19 CO 0.25 -1.81 0.00 -3.47 -0.85 0.00 0.00 174.74 168.87 2a7y n ASP 20 N 10.30 1.69 -2.70 1.40 2.03 -0.36 -4.78 116.55 124.13 2a7y n ASP 20 Ca 0.39 -0.24 -0.02 0.00 0.52 0.00 0.00 54.79 55.43 2a7y n ASP 20 Cb 0.49 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.87 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 -3.83 -4.27 -0.67 6.02 -1.13 -0.35 117.38 113.15 2a7y n GLN 21 Ca 0.00 2.99 -0.18 0.00 -0.01 0.00 0.00 57.00 59.80 2a7y n GLN 21 Cb 0.00 -5.04 -0.13 0.00 1.02 0.00 0.00 30.24 26.09 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 -1.19 1.01 -0.08 1.08 3.76 -1.06 -2.63 115.29 116.18 2a7y s HIS 22 Ca -0.12 -0.35 -0.31 0.00 -0.15 0.00 0.00 55.06 54.13 2a7y s HIS 22 Cb 0.01 -0.60 0.12 0.00 1.11 0.00 0.00 32.58 33.21 2a7y s HIS 22 CO 0.75 0.00 1.38 0.00 -0.85 0.00 0.00 174.74 176.02 2a7y s ALA 23 N -0.86 -2.63 0.02 -1.40 0.00 -1.02 -3.23 121.76 112.64 2a7y s ALA 23 Ca -0.01 0.43 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 2a7y s ALA 23 Cb -0.07 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.69 2a7y s ALA 23 CO 0.01 -1.13 0.24 -2.00 0.00 0.00 0.00 175.76 172.88 2a7y s GLU 24 N -2.04 3.53 -0.35 0.00 2.12 -0.53 -0.26 118.70 121.17 2a7y s GLU 24 Ca 0.25 -0.18 -0.11 0.00 0.36 0.00 0.00 54.97 55.29 2a7y s GLU 24 Cb 0.03 -3.06 0.01 0.00 0.26 0.00 0.00 34.13 31.36 2a7y s GLU 24 CO -0.04 0.64 0.20 0.42 -0.54 0.00 0.00 175.26 175.94 2a7y s ILE 25 N -1.35 4.78 -0.33 -3.70 1.01 0.57 -0.26 121.20 121.92 2a7y s ILE 25 Ca 0.29 -0.57 0.15 0.00 0.00 0.00 0.00 60.65 60.52 2a7y s ILE 25 Cb -0.13 -3.55 -0.21 0.00 0.01 0.00 0.00 42.46 38.59 2a7y s ILE 25 CO 0.18 -0.10 0.48 2.30 0.00 0.00 0.00 174.94 177.80 2a7y n ILE 26 N 5.03 0.00 -3.75 2.92 -0.00 -1.06 -1.00 119.36 121.50 2a7y n ILE 26 Ca -0.13 -0.26 -0.29 0.00 -0.00 0.00 0.00 62.75 62.07 2a7y n ILE 26 Cb 0.48 0.53 -0.15 0.00 -0.00 0.00 0.00 39.64 40.49 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 -2.78 0.78 -0.40 6.28 2.02 -1.06 -4.80 118.70 118.74 2a7y s GLU 27 Ca -0.01 -0.89 -0.02 0.00 0.02 0.00 0.00 54.97 54.08 2a7y s GLU 27 Cb 0.11 -2.07 0.11 0.00 0.10 0.00 0.00 34.13 32.38 2a7y s GLU 27 CO 0.63 -0.86 0.18 0.08 0.02 0.00 0.00 175.26 175.32 2a7y s VAL 28 N 1.67 3.15 -0.82 2.63 1.01 -1.26 -2.30 120.40 124.48 2a7y s VAL 28 Ca 0.05 -2.10 -0.00 0.00 0.00 0.00 0.00 61.98 59.93 2a7y s VAL 28 Cb -0.17 -3.18 0.35 0.00 0.00 0.00 0.00 36.38 33.38 2a7y s VAL 28 CO -0.19 -0.68 1.75 -1.14 0.00 0.00 0.00 175.10 174.84 2a7y n ARG 29 N 4.54 3.64 -3.67 2.72 0.63 -1.26 -4.88 116.66 118.38 2a7y n ARG 29 Ca -0.01 -4.09 -0.09 0.00 -0.92 0.00 0.00 57.85 52.74 2a7y n ARG 29 Cb 0.41 -2.32 -0.10 0.00 0.45 0.00 0.00 32.46 30.91 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 -1.71 -0.37 0.06 6.15 0.15 -1.26 -5.00 113.70 111.72 2a7y s SER 30 Ca 0.48 1.00 0.16 0.00 0.70 0.00 0.00 55.95 58.29 2a7y s SER 30 Cb 0.35 1.22 -0.14 0.00 -1.71 0.00 0.00 66.02 65.74 2a7y s SER 30 CO -0.28 -0.22 0.84 0.00 1.20 0.00 0.00 173.24 174.78 2a7y h ALA 31 N 7.84 0.67 0.00 5.45 0.00 -1.92 -3.35 119.26 127.94 2a7y h ALA 31 Ca -0.22 -0.90 -0.15 0.00 0.00 0.00 0.00 54.91 53.64 2a7y h ALA 31 Cb 1.13 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2a7y h ALA 31 CO 0.17 0.98 -1.34 0.22 0.00 0.00 0.00 179.25 179.28 2a7y h ASP 32 N 0.00 0.00 -0.09 0.00 3.58 -1.96 -3.43 116.42 114.52 2a7y h ASP 32 Ca -0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2a7y h ASP 32 Cb 1.63 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.68 2a7y h ASP 32 CO 0.05 0.51 0.00 0.61 -2.88 0.00 0.00 179.24 177.53 2a7y n GLY 33 N 1.37 0.75 3.14 -0.78 0.00 -1.20 -0.17 105.19 108.31 2a7y n GLY 33 Ca -0.08 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.46 -0.03 1.01 1.61 0.01 -1.26 -4.17 113.70 109.41 2a7y s SER 34 Ca 0.00 -0.13 -0.12 0.00 1.31 0.00 0.00 55.95 57.00 2a7y s SER 34 Cb 0.00 0.23 0.20 0.00 0.21 0.00 0.00 66.02 66.66 2a7y s SER 34 CO 0.00 -0.39 1.08 -2.84 0.41 0.00 0.00 173.24 171.49 2a7y s PRO 35 N -1.39 0.31 0.54 12.44 0.02 -1.26 -4.70 135.00 140.96 2a7y s PRO 35 Ca -0.14 0.75 -0.16 0.00 0.02 0.00 0.00 61.00 61.46 2a7y s PRO 35 Cb -0.07 -1.70 -0.06 0.00 0.02 0.00 0.00 34.50 32.68 2a7y s PRO 35 CO 0.02 -2.87 1.01 -2.14 -0.33 0.00 0.00 177.00 172.69 2a7y s PRO 36 N -4.80 3.72 0.05 5.54 0.02 -1.26 -5.10 135.00 133.17 2a7y s PRO 36 Ca 0.66 1.04 0.05 0.00 0.02 0.00 0.00 61.00 62.76 2a7y s PRO 36 Cb -0.20 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 2a7y s PRO 36 CO 0.59 -0.47 -0.06 0.71 -0.33 0.00 0.00 177.00 177.45 2a7y s TYR 37 N -2.58 2.87 -0.50 6.54 2.02 -1.07 -4.80 117.35 119.84 2a7y s TYR 37 Ca 0.60 -0.06 -0.16 0.00 -0.37 0.00 0.00 57.07 57.08 2a7y s TYR 37 Cb -0.12 -1.55 0.08 0.00 -0.40 0.00 0.00 41.96 39.97 2a7y s TYR 37 CO 0.34 0.41 0.47 0.08 -1.57 0.00 0.00 175.55 175.28 2a7y s VAL 38 N -1.12 5.14 -0.19 0.71 1.01 -0.97 -1.71 120.40 123.27 2a7y s VAL 38 Ca 0.20 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 2a7y s VAL 38 Cb -0.11 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.05 2a7y s VAL 38 CO 0.11 -0.71 -0.13 -0.69 0.00 0.00 0.00 175.10 173.68 2a7y s VAL 39 N 1.87 2.68 -0.16 2.92 1.01 0.25 -2.55 120.40 126.41 2a7y s VAL 39 Ca 0.06 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 2a7y s VAL 39 Cb -0.25 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2a7y s VAL 39 CO 0.07 0.49 0.10 -0.60 0.00 0.00 0.00 175.10 175.16 2a7y s ARG 40 N 1.22 3.83 -0.37 2.72 3.52 0.64 -0.40 118.95 130.11 2a7y s ARG 40 Ca 0.02 -0.26 -0.15 0.00 -0.13 0.00 0.00 55.73 55.21 2a7y s ARG 40 Cb -0.14 -3.23 -0.00 0.00 -1.56 0.00 0.00 34.95 30.02 2a7y s ARG 40 CO -0.06 0.44 0.36 -1.58 -0.81 0.00 0.00 175.30 173.65 2a7y s TRP 41 N -0.08 3.21 -0.08 5.12 0.52 0.55 -1.45 118.94 126.72 2a7y s TRP 41 Ca 0.08 -0.21 -0.27 0.00 0.02 0.00 0.00 56.10 55.73 2a7y s TRP 41 Cb -0.12 -2.69 -0.23 0.00 -1.15 0.00 0.00 33.47 29.28 2a7y s TRP 41 CO 0.01 -0.51 0.99 -0.07 0.02 0.00 0.00 176.95 177.39 2a7y h LEU 42 N 8.78 0.03 0.00 2.99 3.38 -1.93 -0.72 115.31 127.84 2a7y h LEU 42 Ca -0.29 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 56.91 2a7y h LEU 42 Cb 1.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2a7y h LEU 42 CO 0.72 0.80 -1.09 1.33 0.09 0.00 0.00 178.44 180.29 2a7y n VAL 43 N -4.69 0.21 0.07 1.22 0.24 -1.26 -3.95 118.33 110.17 2a7y n VAL 43 Ca -0.09 -0.30 -0.18 0.00 -2.04 0.00 0.00 64.34 61.73 2a7y n VAL 43 Cb 0.39 0.13 -0.14 0.00 -1.47 0.00 0.00 33.84 32.75 2a7y n VAL 43 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2a7y h ASN 44 N 0.00 0.42 -0.28 -1.34 2.35 -1.90 -3.48 115.58 111.34 2a7y h ASN 44 Ca 0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 2a7y h ASN 44 Cb 0.78 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.01 2a7y h ASN 44 CO 0.00 1.49 0.00 0.61 -1.65 0.00 0.00 177.43 177.88 2a7y n GLY 45 N 1.68 1.00 3.50 2.83 0.00 -0.29 -5.07 105.19 108.84 2a7y n GLY 45 Ca -0.17 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.28 2.18 -0.10 1.61 3.76 -1.12 -4.98 115.29 114.36 2a7y s HIS 46 Ca 0.00 -0.69 -0.03 0.00 -0.15 0.00 0.00 55.06 54.19 2a7y s HIS 46 Cb 0.00 -1.34 0.05 0.00 1.11 0.00 0.00 32.58 32.39 2a7y s HIS 46 CO 0.00 0.34 0.11 -2.00 -0.85 0.00 0.00 174.74 172.33 2a7y s GLU 47 N -3.72 0.01 0.25 1.40 2.12 -1.26 -0.33 118.70 117.16 2a7y s GLU 47 Ca 0.33 0.28 0.01 0.00 0.36 0.00 0.00 54.97 55.94 2a7y s GLU 47 Cb 0.06 -0.89 -0.05 0.00 0.26 0.00 0.00 34.13 33.51 2a7y s GLU 47 CO 0.15 -0.45 0.11 0.95 -0.54 0.00 0.00 175.26 175.48 2a7y s THR 48 N 2.20 0.37 -0.36 -1.70 -4.23 0.47 -5.00 115.64 107.40 2a7y s THR 48 Ca 0.04 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 2a7y s THR 48 Cb -0.13 -2.59 0.10 0.00 1.34 0.00 0.00 72.50 71.22 2a7y s THR 48 CO -0.06 0.00 0.09 -0.89 -0.54 0.00 0.00 174.62 173.22 2a7y s THR 49 N -3.86 2.53 0.19 3.99 2.01 -1.26 -0.59 115.64 118.64 2a7y s THR 49 Ca 0.38 -2.28 0.03 0.00 0.31 0.00 0.00 61.69 60.13 2a7y s THR 49 Cb 0.07 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 2a7y s THR 49 CO 0.14 -0.62 0.32 0.68 -0.69 0.00 0.00 174.62 174.45 2a7y s VAL 50 N 0.96 5.29 -0.34 3.82 -7.23 -0.69 -4.89 120.40 117.31 2a7y s VAL 50 Ca 0.10 -0.75 0.04 0.00 -1.81 0.00 0.00 61.98 59.56 2a7y s VAL 50 Cb -0.20 -3.78 0.10 0.00 0.56 0.00 0.00 36.38 33.06 2a7y s VAL 50 CO -0.07 -0.18 0.06 -0.31 -0.31 0.00 0.00 175.10 174.28 2a7y s TYR 51 N -1.84 3.76 0.05 2.82 1.51 -1.26 -2.60 117.35 119.78 2a7y s TYR 51 Ca 0.35 -2.98 -0.25 0.00 -1.01 0.00 0.00 57.07 53.18 2a7y s TYR 51 Cb -0.10 -2.94 -0.17 0.00 -0.11 0.00 0.00 41.96 38.63 2a7y s TYR 51 CO 0.29 -0.95 1.53 -1.00 -1.11 0.00 0.00 175.55 174.31 2a7y h PRO 52 N 7.62 -0.12 0.00 -1.71 0.13 -1.98 -3.50 132.00 132.45 2a7y h PRO 52 Ca -0.04 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2a7y h PRO 52 Cb 1.02 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2a7y h PRO 52 CO 0.53 0.09 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 2a7y n GLY 53 N -0.64 0.69 3.23 1.56 0.00 -1.26 -4.99 105.19 103.78 2a7y n GLY 53 Ca -0.08 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 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 1.94 -0.94 1.61 0.01 -1.26 -4.86 113.70 106.20 2a7y s SER 54 Ca 0.00 -0.79 -0.04 0.00 1.31 0.00 0.00 55.95 56.43 2a7y s SER 54 Cb 0.00 -0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.12 2a7y s SER 54 CO 0.00 -0.14 0.81 0.47 0.41 0.00 0.00 173.24 174.79 2a7y n ASP 55 N 0.62 -5.26 -4.63 2.44 8.00 -1.26 -2.74 116.55 113.71 2a7y n ASP 55 Ca -0.16 -0.60 -0.41 0.00 0.71 0.00 0.00 54.79 54.32 2a7y n ASP 55 Cb 0.57 -4.58 -0.05 0.00 -0.02 0.00 0.00 41.12 37.04 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 -3.33 3.62 0.24 2.24 0.00 -1.26 0.05 121.76 123.31 2a7y s ALA 56 Ca 0.32 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.05 2a7y s ALA 56 Cb -0.04 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 2a7y s ALA 56 CO 0.64 -0.95 0.33 0.08 0.00 0.00 0.00 175.76 175.86 2a7y s VAL 57 N 2.77 5.11 -0.18 0.00 1.01 0.55 -4.88 120.40 124.78 2a7y s VAL 57 Ca 0.32 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2a7y s VAL 57 Cb -0.15 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.48 2a7y s VAL 57 CO 0.09 -0.32 -0.17 0.54 0.00 0.00 0.00 175.10 175.23 2a7y s VAL 58 N -1.99 1.95 0.54 2.92 0.11 -1.26 -0.62 120.40 122.04 2a7y s VAL 58 Ca 0.34 -0.95 0.02 0.00 -2.93 0.00 0.00 61.98 58.46 2a7y s VAL 58 Cb -0.09 -1.81 0.02 0.00 -1.53 0.00 0.00 36.38 32.96 2a7y s VAL 58 CO 0.28 0.45 0.14 1.33 -3.33 0.00 0.00 175.10 173.97 2a7y n VAL 59 N 4.64 0.00 -1.96 2.04 0.24 -0.50 -4.90 118.33 117.89 2a7y n VAL 59 Ca -0.19 -2.40 -0.29 0.00 -2.04 0.00 0.00 64.34 59.42 2a7y n VAL 59 Cb 0.49 0.33 0.06 0.00 -1.47 0.00 0.00 33.84 33.25 2a7y n VAL 59 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2a7y s THR 60 N -2.86 3.02 -0.00 3.34 -4.23 -1.26 -0.36 115.64 113.28 2a7y s THR 60 Ca 0.10 0.25 -0.07 0.00 -1.18 0.00 0.00 61.69 60.79 2a7y s THR 60 Cb -0.01 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 2a7y s THR 60 CO 0.07 -0.40 0.67 0.00 -0.54 0.00 0.00 174.62 174.41 2a7y h ALA 61 N -0.71 -0.63 0.00 3.99 0.00 -1.93 -3.28 119.26 116.70 2a7y h ALA 61 Ca -0.45 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 2a7y h ALA 61 Cb 1.28 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2a7y h ALA 61 CO 0.64 -0.61 -0.57 1.79 0.00 0.00 0.00 179.25 180.50 2a7y h THR 62 N -0.42 0.84 0.33 0.00 1.35 -1.96 -0.61 112.91 112.44 2a7y h THR 62 Ca -0.03 -2.20 -0.00 0.00 -0.55 0.00 0.00 66.41 63.63 2a7y h THR 62 Cb 0.20 2.40 -0.03 0.00 -1.73 0.00 0.00 68.15 68.99 2a7y h THR 62 CO 0.04 0.48 -0.47 -0.08 -0.25 0.00 0.00 175.52 175.24 2a7y h GLU 63 N 0.00 -0.82 0.00 4.72 4.81 -2.00 -2.98 114.58 118.31 2a7y h GLU 63 Ca -0.02 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2a7y h GLU 63 Cb 1.40 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.97 2a7y h GLU 63 CO 0.06 -0.55 -0.20 0.45 -0.73 0.00 0.00 179.01 178.04 2a7y h HIS 64 N -0.85 0.00 -1.02 0.92 3.86 -1.61 -3.40 115.15 113.05 2a7y h HIS 64 Ca -0.03 0.00 0.31 0.00 -1.16 0.00 0.00 60.37 59.50 2a7y h HIS 64 Cb 0.79 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.12 2a7y h HIS 64 CO -0.31 0.00 0.60 0.00 0.86 0.00 0.00 177.93 179.08 2a7y h ALA 65 N 2.35 2.00 -0.46 2.45 0.00 -0.94 0.59 119.26 125.26 2a7y h ALA 65 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2a7y h ALA 65 Cb 0.82 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2a7y h ALA 65 CO 0.00 -0.58 0.19 0.93 0.00 0.00 0.00 179.25 179.79 2a7y h GLU 66 N 0.35 0.68 0.00 0.00 5.08 -1.77 0.13 114.58 119.05 2a7y h GLU 66 Ca 0.72 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.96 2a7y h GLU 66 Cb 1.65 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2a7y h GLU 66 CO -0.56 0.61 0.00 0.00 -1.00 0.00 0.00 179.01 178.06 2a7y h ALA 67 N 1.03 1.00 -0.38 3.43 0.00 -0.26 -0.86 119.26 123.22 2a7y h ALA 67 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 2a7y h ALA 67 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2a7y h ALA 67 CO -0.01 0.00 -0.39 1.49 0.00 0.00 0.00 179.25 180.34 2a7y h GLU 68 N 0.00 0.94 0.10 0.00 4.81 0.20 0.19 114.58 120.82 2a7y h GLU 68 Ca 0.00 -0.50 0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2a7y h GLU 68 Cb 0.26 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2a7y h GLU 68 CO 0.00 1.15 -0.45 0.87 -0.73 0.00 0.00 179.01 179.86 2a7y h LYS 69 N 0.76 -0.61 0.58 1.92 1.79 -0.57 0.15 116.57 120.59 2a7y h LYS 69 Ca 0.06 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 2a7y h LYS 69 Cb 0.98 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 2a7y h LYS 69 CO 0.10 -0.41 -0.39 -0.09 -1.08 0.00 0.00 179.45 177.58 2a7y h ARG 70 N -0.63 -0.88 0.00 3.15 9.65 -1.53 -2.77 114.38 121.36 2a7y h ARG 70 Ca -0.01 0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2a7y h ARG 70 Cb 0.64 0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.42 2a7y h ARG 70 CO -0.24 -0.59 0.00 0.00 2.80 0.00 0.00 179.97 181.94 2a7y h ALA 71 N -1.29 1.00 0.11 2.80 0.00 -0.64 -2.38 119.26 118.87 2a7y h ALA 71 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.55 2a7y h ALA 71 Cb 0.75 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2a7y h ALA 71 CO 0.06 0.00 -1.33 0.00 0.00 0.00 0.00 179.25 177.98 2a7y h ALA 72 N 2.28 0.20 -0.82 0.00 0.00 -0.67 0.18 119.26 120.43 2a7y h ALA 72 Ca 0.00 -0.98 0.13 0.00 0.00 0.00 0.00 54.91 54.06 2a7y h ALA 72 Cb 0.78 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 2a7y h ALA 72 CO 0.00 1.08 0.53 0.00 0.00 0.00 0.00 179.25 180.86 2a7y h ALA 73 N 0.61 1.89 0.15 0.00 0.00 -1.14 -0.50 119.26 120.27 2a7y h ALA 73 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2a7y h ALA 73 Cb 1.97 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2a7y h ALA 73 CO 0.18 -0.09 -0.07 -0.09 0.00 0.00 0.00 179.25 179.17 2a7y h ARG 74 N 0.62 -0.19 -0.22 0.00 9.65 -1.39 -3.30 114.38 119.55 2a7y h ARG 74 Ca 0.40 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.34 2a7y h ARG 74 Cb 0.67 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 29.22 2a7y h ARG 74 CO -0.16 0.20 -0.42 0.00 2.80 0.00 0.00 179.97 182.39 2a7y h ALA 75 N -0.49 -0.53 -0.90 2.80 0.00 -0.30 -2.25 119.26 117.59 2a7y h ALA 75 Ca -0.02 0.02 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 2a7y h ALA 75 Cb 0.48 0.82 -0.25 0.00 0.00 0.00 0.00 17.79 18.84 2a7y h ALA 75 CO 0.03 -0.90 0.88 0.41 0.00 0.00 0.00 179.25 179.67 2a7y n GLY 76 N -1.43 5.36 0.17 0.00 0.00 -0.23 -4.25 105.19 104.82 2a7y n GLY 76 Ca -0.03 -2.26 0.08 0.00 0.00 0.00 0.00 46.02 43.81 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 2.62 0.00 -2.30 1.61 6.17 -1.48 -3.48 115.15 118.29 2a7y h HIS 77 Ca 0.54 0.00 0.14 0.00 0.71 0.00 0.00 60.37 61.75 2a7y h HIS 77 Cb 0.40 0.00 -0.13 0.00 2.52 0.00 0.00 27.41 30.20 2a7y h HIS 77 CO 1.27 0.21 0.49 0.00 0.71 0.00 0.00 177.93 180.61 2a7y s ALA 78 N -3.13 -1.77 0.05 5.26 0.00 -1.26 -5.09 121.76 115.82 2a7y s ALA 78 Ca 0.04 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2a7y s ALA 78 Cb 0.07 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.69 2a7y s ALA 78 CO 0.72 -0.82 0.00 0.00 0.00 0.00 0.00 175.76 175.66 2a7y n ALA 79 N -0.33 3.00 -1.78 0.00 0.00 -1.26 -5.02 120.51 115.11 2a7y n ALA 79 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2a7y n ALA 79 Cb 0.61 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.22 2a7y n ALA 79 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91