#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 0.86 0.39 1.12 5.65 -1.26 -3.65 115.29 118.40 2a7y s HIS 2 Ca 0.00 -0.28 0.06 0.00 0.25 0.00 0.00 55.06 55.09 2a7y s HIS 2 Cb 0.00 -0.81 0.00 0.00 -1.18 0.00 0.00 32.58 30.59 2a7y s HIS 2 CO 0.00 -0.28 0.54 0.00 -0.65 0.00 0.00 174.74 174.35 2a7y s ALA 3 N 1.35 4.25 0.16 1.58 0.00 0.42 -4.91 121.76 124.61 2a7y s ALA 3 Ca -0.04 -1.47 -0.22 0.00 0.00 0.00 0.00 51.96 50.24 2a7y s ALA 3 Cb -0.13 -1.74 0.06 0.00 0.00 0.00 0.00 23.12 21.31 2a7y s ALA 3 CO -0.03 -0.19 0.57 -1.59 0.00 0.00 0.00 175.76 174.52 2a7y s LYS 4 N -4.31 1.25 0.30 0.00 0.00 -1.26 -4.95 119.74 110.78 2a7y s LYS 4 Ca 0.49 -0.51 -0.21 0.00 0.00 0.00 0.00 55.97 55.74 2a7y s LYS 4 Cb -0.10 0.57 -0.09 0.00 0.00 0.00 0.00 37.83 38.21 2a7y s LYS 4 CO 0.33 -0.54 0.83 0.54 0.00 0.00 0.00 175.35 176.51 2a7y s VAL 5 N -3.76 4.44 0.00 1.79 0.11 -1.26 -3.75 120.40 117.97 2a7y s VAL 5 Ca 0.01 1.44 0.00 0.00 -2.93 0.00 0.00 61.98 60.51 2a7y s VAL 5 Cb -0.01 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 31.01 2a7y s VAL 5 CO -0.13 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 2a7y n GLY 6 N 0.32 0.79 3.34 6.54 0.00 -0.40 -5.01 105.19 110.78 2a7y n GLY 6 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.37 1.63 0.20 1.61 1.11 -1.25 -4.98 116.67 112.63 2a7y s ASP 7 Ca 0.00 -1.32 0.05 0.00 0.18 0.00 0.00 52.55 51.46 2a7y s ASP 7 Cb 0.00 0.06 -0.03 0.00 1.07 0.00 0.00 42.92 44.02 2a7y s ASP 7 CO 0.00 -0.63 0.24 -0.31 1.18 0.00 0.00 175.17 175.65 2a7y s TYR 8 N -3.55 3.28 -0.12 4.23 1.51 0.51 -0.51 117.35 122.70 2a7y s TYR 8 Ca 0.34 -0.01 -0.09 0.00 -1.01 0.00 0.00 57.07 56.30 2a7y s TYR 8 Cb 0.07 -1.53 -0.04 0.00 -0.11 0.00 0.00 41.96 40.35 2a7y s TYR 8 CO 0.12 0.50 0.18 -1.17 -1.11 0.00 0.00 175.55 174.07 2a7y s LEU 9 N -3.52 4.37 0.16 -1.29 0.20 0.68 -0.39 118.68 118.88 2a7y s LEU 9 Ca 0.33 0.51 0.01 0.00 0.69 0.00 0.00 54.13 55.67 2a7y s LEU 9 Cb -0.09 -2.16 -0.04 0.00 -0.43 0.00 0.00 46.19 43.46 2a7y s LEU 9 CO 0.26 0.36 0.03 0.54 -0.29 0.00 0.00 176.35 177.24 2a7y s VAL 10 N -0.80 0.44 0.07 1.68 0.11 0.28 -2.24 120.40 119.95 2a7y s VAL 10 Ca 0.15 -1.95 0.08 0.00 -2.93 0.00 0.00 61.98 57.34 2a7y s VAL 10 Cb -0.13 -2.10 -0.03 0.00 -1.53 0.00 0.00 36.38 32.59 2a7y s VAL 10 CO 0.05 -0.46 -0.20 -0.69 -3.33 0.00 0.00 175.10 170.46 2a7y s VAL 11 N -3.82 2.64 -0.60 2.04 1.01 -0.80 -0.31 120.40 120.56 2a7y s VAL 11 Ca 0.24 -1.37 -0.27 0.00 0.00 0.00 0.00 61.98 60.58 2a7y s VAL 11 Cb 0.07 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2a7y s VAL 11 CO 0.03 0.25 1.67 -0.75 0.00 0.00 0.00 175.10 176.30 2a7y s LYS 12 N -1.67 2.91 0.30 2.72 2.20 0.31 -1.90 119.74 124.63 2a7y s LYS 12 Ca 0.15 0.49 -0.20 0.00 -0.36 0.00 0.00 55.97 56.05 2a7y s LYS 12 Cb -0.10 -4.29 -0.09 0.00 -1.51 0.00 0.00 37.83 31.84 2a7y s LYS 12 CO 0.06 -2.41 0.82 0.20 -0.36 0.00 0.00 175.35 173.66 2a7y s GLY 13 N 6.47 2.56 -0.04 5.54 0.00 -1.26 -4.95 107.32 115.63 2a7y s GLY 13 Ca 0.60 0.26 -0.14 0.00 0.00 0.00 0.00 44.72 45.44 2a7y s GLY 13 CO 0.21 0.59 0.57 -0.84 0.00 0.00 0.00 173.10 173.64 2a7y h THR 14 N 2.40 0.03 -0.75 0.90 2.02 -2.00 -3.40 112.91 112.10 2a7y h THR 14 Ca -0.48 -0.66 -0.39 0.00 0.77 0.00 0.00 66.41 65.65 2a7y h THR 14 Cb 1.19 0.05 -0.41 0.00 -1.74 0.00 0.00 68.15 67.24 2a7y h THR 14 CO 0.64 0.01 -1.00 0.35 0.37 0.00 0.00 175.52 175.90 2a7y n THR 15 N -5.10 1.73 1.15 3.16 -2.24 -1.26 -4.79 114.28 106.94 2a7y n THR 15 Ca -0.06 -3.57 0.10 0.00 -2.27 0.00 0.00 64.05 58.25 2a7y n THR 15 Cb 0.20 0.16 0.36 0.00 -2.10 0.00 0.00 70.33 68.94 2a7y n THR 15 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2a7y n THR 16 N -0.53 0.24 0.00 4.28 -2.24 -1.26 -4.96 114.28 109.81 2a7y n THR 16 Ca 0.22 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2a7y n THR 16 Cb 0.84 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 2a7y n THR 16 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2a7y n GLU 17 N 0.41 0.00 0.00 -0.78 2.13 -1.26 -4.17 120.64 116.98 2a7y n GLU 17 Ca 0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.98 2a7y n GLU 17 Cb 0.35 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.06 2a7y n GLU 17 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2a7y n ARG 18 N 0.00 0.00 -3.89 5.31 5.12 -1.26 -5.09 116.66 116.85 2a7y n ARG 18 Ca 0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 2a7y n ARG 18 Cb 0.00 -0.14 -0.07 0.00 -1.16 0.00 0.00 32.46 31.08 2a7y n ARG 18 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2a7y s HIS 19 N 0.00 0.21 0.00 -1.55 3.76 -1.26 -4.94 115.29 111.52 2a7y s HIS 19 Ca 0.00 -0.64 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 2a7y s HIS 19 Cb 0.00 -0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.60 2a7y s HIS 19 CO 0.00 -0.55 0.00 -3.47 -0.85 0.00 0.00 174.74 169.87 2a7y n ASP 20 N -0.07 0.11 -4.50 1.40 -0.08 -0.80 -4.84 116.55 107.78 2a7y n ASP 20 Ca -0.14 0.00 -0.56 0.00 -1.51 0.00 0.00 54.79 52.58 2a7y n ASP 20 Cb 0.62 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 44.01 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 0.00 0.16 -3.81 -0.67 6.02 -1.26 -3.85 117.38 113.96 2a7y n GLN 21 Ca 0.00 0.06 -0.12 0.00 -0.01 0.00 0.00 57.00 56.92 2a7y n GLN 21 Cb 0.00 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.65 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 -0.11 -0.17 0.08 1.08 2.46 -1.25 -1.90 115.29 115.48 2a7y s HIS 22 Ca 0.86 0.40 -0.26 0.00 0.47 0.00 0.00 55.06 56.53 2a7y s HIS 22 Cb -1.17 0.05 0.09 0.00 -0.13 0.00 0.00 32.58 31.42 2a7y s HIS 22 CO 0.56 -0.16 1.17 0.00 -2.47 0.00 0.00 174.74 173.84 2a7y s ALA 23 N -0.26 -2.04 -0.22 1.58 0.00 -0.95 -4.25 121.76 115.62 2a7y s ALA 23 Ca -0.04 -0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 2a7y s ALA 23 Cb -0.03 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 2a7y s ALA 23 CO 0.01 -1.10 0.21 -2.00 0.00 0.00 0.00 175.76 172.88 2a7y s GLU 24 N -2.17 4.13 -0.48 0.00 -6.30 -0.03 -0.23 118.70 113.62 2a7y s GLU 24 Ca 0.24 -0.14 -0.19 0.00 -2.50 0.00 0.00 54.97 52.39 2a7y s GLU 24 Cb -0.01 -3.50 0.05 0.00 0.00 0.00 0.00 34.13 30.67 2a7y s GLU 24 CO 0.02 0.11 0.58 0.42 0.02 0.00 0.00 175.26 176.40 2a7y s ILE 25 N 0.90 4.94 -0.14 -3.70 1.01 0.33 -1.26 121.20 123.27 2a7y s ILE 25 Ca 0.11 -0.48 0.17 0.00 0.00 0.00 0.00 60.65 60.45 2a7y s ILE 25 Cb -0.13 -4.24 -0.24 0.00 0.01 0.00 0.00 42.46 37.86 2a7y s ILE 25 CO 0.04 -0.71 0.15 2.30 0.00 0.00 0.00 174.94 176.71 2a7y n ILE 26 N 5.57 0.96 -4.02 2.92 -0.00 -1.23 -1.28 119.36 122.29 2a7y n ILE 26 Ca -0.07 -0.70 -0.31 0.00 -0.00 0.00 0.00 62.75 61.67 2a7y n ILE 26 Cb 0.46 -0.38 -0.15 0.00 -0.00 0.00 0.00 39.64 39.56 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 -2.65 1.63 -0.52 6.28 0.41 -1.03 -4.81 118.70 118.02 2a7y s GLU 27 Ca -0.09 -1.79 -0.16 0.00 -0.41 0.00 0.00 54.97 52.52 2a7y s GLU 27 Cb 0.07 -3.18 0.10 0.00 -1.78 0.00 0.00 34.13 29.34 2a7y s GLU 27 CO 0.76 -0.88 0.49 0.08 -0.49 0.00 0.00 175.26 175.22 2a7y s VAL 28 N 0.95 5.15 -2.27 2.63 1.01 -1.26 -2.39 120.40 124.21 2a7y s VAL 28 Ca 0.08 -1.19 0.28 0.00 0.00 0.00 0.00 61.98 61.15 2a7y s VAL 28 Cb -0.19 -4.27 0.50 0.00 0.00 0.00 0.00 36.38 32.41 2a7y s VAL 28 CO -0.07 -0.78 1.73 -2.11 0.00 0.00 0.00 175.10 173.87 2a7y n ARG 29 N 5.43 1.40 -2.71 2.72 1.85 -1.26 -4.88 116.66 119.21 2a7y n ARG 29 Ca -0.12 -0.78 -0.42 0.00 -1.00 0.00 0.00 57.85 55.52 2a7y n ARG 29 Cb 0.42 -1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.32 2a7y n ARG 29 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2a7y s SER 30 N -2.14 7.19 0.20 2.89 0.01 -1.26 -4.93 113.70 115.65 2a7y s SER 30 Ca 0.35 1.46 -0.09 0.00 1.31 0.00 0.00 55.95 58.97 2a7y s SER 30 Cb 0.21 -2.54 0.13 0.00 0.21 0.00 0.00 66.02 64.03 2a7y s SER 30 CO 0.39 -0.48 1.78 0.00 0.41 0.00 0.00 173.24 175.34 2a7y h ALA 31 N 7.18 0.95 0.00 1.44 0.00 -1.90 -3.41 119.26 123.53 2a7y h ALA 31 Ca -0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2a7y h ALA 31 Cb 1.13 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2a7y h ALA 31 CO 0.87 0.53 -0.04 -0.25 0.00 0.00 0.00 179.25 180.36 2a7y n ASP 32 N -4.39 0.19 -2.67 0.00 8.00 -1.26 -4.95 116.55 111.47 2a7y n ASP 32 Ca 0.06 0.03 -0.04 0.00 0.71 0.00 0.00 54.79 55.55 2a7y n ASP 32 Cb 0.14 -0.18 0.05 0.00 -0.02 0.00 0.00 41.12 41.12 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 2.96 -0.77 3.71 0.44 0.00 -1.24 -0.43 105.19 109.86 2a7y n GLY 33 Ca -0.01 0.32 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.34 5.33 0.70 1.61 1.04 -1.26 -4.95 113.70 115.83 2a7y s SER 34 Ca 0.13 0.08 -0.13 0.00 0.48 0.00 0.00 55.95 56.51 2a7y s SER 34 Cb 0.20 -1.46 0.02 0.00 0.10 0.00 0.00 66.02 64.87 2a7y s SER 34 CO -0.10 0.30 1.10 -2.84 0.98 0.00 0.00 173.24 172.69 2a7y s PRO 35 N -1.44 2.60 0.75 4.02 0.02 -1.26 -4.43 135.00 135.26 2a7y s PRO 35 Ca 0.19 1.27 -0.06 0.00 0.02 0.00 0.00 61.00 62.43 2a7y s PRO 35 Cb -0.12 -1.93 0.11 0.00 0.02 0.00 0.00 34.50 32.58 2a7y s PRO 35 CO 0.09 -1.39 1.04 -1.25 -0.33 0.00 0.00 177.00 175.17 2a7y s PRO 36 N -4.46 1.74 0.11 5.54 0.04 -1.26 -5.04 135.00 131.66 2a7y s PRO 36 Ca 0.64 -0.65 0.09 0.00 0.04 0.00 0.00 61.00 61.13 2a7y s PRO 36 Cb -0.19 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2a7y s PRO 36 CO 0.48 -1.49 -0.23 0.71 0.04 0.00 0.00 177.00 176.50 2a7y s TYR 37 N -3.29 1.98 -0.43 0.56 1.51 -1.04 -4.65 117.35 111.99 2a7y s TYR 37 Ca 0.65 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 56.14 2a7y s TYR 37 Cb -0.07 -1.08 0.03 0.00 -0.11 0.00 0.00 41.96 40.73 2a7y s TYR 37 CO 0.46 0.25 0.38 0.08 -1.11 0.00 0.00 175.55 175.61 2a7y s VAL 38 N -1.12 5.18 0.26 0.71 1.01 -1.01 -1.29 120.40 124.15 2a7y s VAL 38 Ca 0.09 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.49 2a7y s VAL 38 Cb -0.10 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 2a7y s VAL 38 CO 0.05 -0.43 -0.03 0.54 0.00 0.00 0.00 175.10 175.23 2a7y s VAL 39 N 1.86 1.40 -0.04 2.92 0.11 0.47 -2.46 120.40 124.67 2a7y s VAL 39 Ca 0.07 -2.08 -0.02 0.00 -2.93 0.00 0.00 61.98 57.02 2a7y s VAL 39 Cb -0.19 -2.43 0.03 0.00 -1.53 0.00 0.00 36.38 32.25 2a7y s VAL 39 CO 0.11 -0.29 0.10 0.00 -3.33 0.00 0.00 175.10 171.68 2a7y s ARG 40 N -3.79 0.06 -0.56 1.54 1.70 -0.39 -0.44 118.95 117.08 2a7y s ARG 40 Ca 0.29 0.25 -0.27 0.00 -0.47 0.00 0.00 55.73 55.54 2a7y s ARG 40 Cb 0.05 -0.13 0.03 0.00 -0.57 0.00 0.00 34.95 34.33 2a7y s ARG 40 CO 0.11 -0.12 1.10 -1.58 -1.08 0.00 0.00 175.30 173.73 2a7y s TRP 41 N 0.81 2.69 -0.11 5.89 0.52 0.45 -0.85 118.94 128.33 2a7y s TRP 41 Ca -0.06 0.28 -0.26 0.00 0.02 0.00 0.00 56.10 56.08 2a7y s TRP 41 Cb -0.09 -4.35 -0.23 0.00 -1.15 0.00 0.00 33.47 27.66 2a7y s TRP 41 CO -0.03 -1.48 0.84 -0.07 0.02 0.00 0.00 176.95 176.22 2a7y h LEU 42 N 11.54 -0.01 0.00 2.99 3.38 -1.95 0.26 115.31 131.51 2a7y h LEU 42 Ca -0.25 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 56.91 2a7y h LEU 42 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2a7y h LEU 42 CO 1.15 0.83 0.00 1.33 0.09 0.00 0.00 178.44 181.84 2a7y n VAL 43 N -4.69 0.02 -0.13 1.22 0.24 -1.26 -3.45 118.33 110.28 2a7y n VAL 43 Ca -0.09 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 61.94 2a7y n VAL 43 Cb 0.40 -0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 32.16 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 -1.30 1.95 0.00 -1.34 3.02 -1.23 -4.92 115.26 111.45 2a7y n ASN 44 Ca 0.14 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 55.02 2a7y n ASN 44 Cb 0.24 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 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 1.28 0.74 3.59 7.41 0.00 0.85 -5.09 105.19 113.97 2a7y n GLY 45 Ca -0.50 -0.71 -0.04 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.08 -0.14 -0.01 1.61 3.76 -0.92 -5.00 115.29 113.52 2a7y s HIS 46 Ca 0.00 0.07 0.03 0.00 -0.15 0.00 0.00 55.06 55.00 2a7y s HIS 46 Cb 0.00 0.52 -0.01 0.00 1.11 0.00 0.00 32.58 34.21 2a7y s HIS 46 CO 0.00 -0.25 -0.08 -2.00 -0.85 0.00 0.00 174.74 171.56 2a7y s GLU 47 N -2.49 0.66 0.02 1.40 -6.30 -1.26 -0.41 118.70 110.32 2a7y s GLU 47 Ca 0.10 -0.29 -0.29 0.00 -2.50 0.00 0.00 54.97 51.99 2a7y s GLU 47 Cb -0.00 -0.64 0.11 0.00 0.00 0.00 0.00 34.13 33.59 2a7y s GLU 47 CO -0.05 0.18 1.22 -0.08 0.02 0.00 0.00 175.26 176.54 2a7y s THR 48 N -0.19 0.00 -0.39 -1.70 -1.32 0.42 -4.99 115.64 107.47 2a7y s THR 48 Ca 0.03 -0.32 -0.15 0.00 -1.21 0.00 0.00 61.69 60.04 2a7y s THR 48 Cb -0.03 -2.11 0.01 0.00 -1.51 0.00 0.00 72.50 68.86 2a7y s THR 48 CO -0.00 0.00 0.33 -0.89 -2.21 0.00 0.00 174.62 171.85 2a7y s THR 49 N -2.55 5.21 0.20 5.08 2.01 -1.26 -0.39 115.64 123.94 2a7y s THR 49 Ca 0.15 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 61.78 2a7y s THR 49 Cb 0.03 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 2a7y s THR 49 CO -0.02 -0.27 0.10 0.68 -0.69 0.00 0.00 174.62 174.42 2a7y s VAL 50 N 1.84 4.16 -0.30 3.82 -7.23 -0.41 -4.91 120.40 117.36 2a7y s VAL 50 Ca 0.08 -1.35 0.03 0.00 -1.81 0.00 0.00 61.98 58.93 2a7y s VAL 50 Cb -0.18 -3.16 0.08 0.00 0.56 0.00 0.00 36.38 33.68 2a7y s VAL 50 CO 0.11 -0.20 -0.02 -0.31 -0.31 0.00 0.00 175.10 174.37 2a7y s TYR 51 N -1.91 3.51 -1.48 2.82 1.51 -1.26 -2.50 117.35 118.04 2a7y s TYR 51 Ca 0.31 -2.68 0.23 0.00 -1.01 0.00 0.00 57.07 53.92 2a7y s TYR 51 Cb -0.09 -2.45 1.17 0.00 -0.11 0.00 0.00 41.96 40.49 2a7y s TYR 51 CO 0.22 -0.92 1.75 -0.35 -1.11 0.00 0.00 175.55 175.14 2a7y n PRO 52 N 4.34 0.36 0.00 -1.71 -0.04 -1.26 -4.94 135.00 131.75 2a7y n PRO 52 Ca -0.04 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2a7y n PRO 52 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2a7y n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a7y n GLY 53 N 0.64 2.35 3.72 0.55 0.00 -1.26 -4.81 105.19 106.38 2a7y n GLY 53 Ca 0.11 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.50 -0.34 -0.96 1.61 1.04 -1.26 -4.98 113.70 105.31 2a7y s SER 54 Ca 0.00 -0.41 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 2a7y s SER 54 Cb 0.00 0.67 0.01 0.00 0.10 0.00 0.00 66.02 66.79 2a7y s SER 54 CO 0.00 -1.19 0.65 0.47 0.98 0.00 0.00 173.24 174.15 2a7y n ASP 55 N -0.43 -4.82 -4.72 7.02 8.00 -1.26 -4.57 116.55 115.76 2a7y n ASP 55 Ca -0.08 -0.30 -0.42 0.00 0.71 0.00 0.00 54.79 54.71 2a7y n ASP 55 Cb 0.61 -3.51 -0.04 0.00 -0.02 0.00 0.00 41.12 38.16 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 -3.12 3.28 0.20 2.24 0.00 -1.26 -0.53 121.76 122.57 2a7y s ALA 56 Ca 0.32 0.68 0.08 0.00 0.00 0.00 0.00 51.96 53.05 2a7y s ALA 56 Cb -0.14 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 2a7y s ALA 56 CO 0.40 -0.22 -0.15 0.08 0.00 0.00 0.00 175.76 175.87 2a7y s VAL 57 N 0.50 1.75 -0.31 0.00 1.01 0.58 -4.95 120.40 118.99 2a7y s VAL 57 Ca 0.52 -2.17 -0.13 0.00 0.00 0.00 0.00 61.98 60.20 2a7y s VAL 57 Cb -0.25 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2a7y s VAL 57 CO 0.30 -0.56 0.26 -0.69 0.00 0.00 0.00 175.10 174.42 2a7y s VAL 58 N -2.83 5.26 0.46 2.92 1.01 -1.26 -0.55 120.40 125.40 2a7y s VAL 58 Ca 0.21 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.33 2a7y s VAL 58 Cb -0.02 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2a7y s VAL 58 CO 0.07 0.09 0.27 0.68 0.00 0.00 0.00 175.10 176.22 2a7y s VAL 59 N 1.83 2.10 0.00 2.92 -7.23 0.47 -4.91 120.40 115.58 2a7y s VAL 59 Ca 0.09 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2a7y s VAL 59 Cb -0.17 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.09 2a7y s VAL 59 CO 0.11 0.00 0.00 1.07 -0.31 0.00 0.00 175.10 175.97 2a7y n THR 60 N -1.46 0.00 -0.19 5.32 5.66 -1.26 -0.37 114.28 121.99 2a7y n THR 60 Ca -0.02 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.94 2a7y n THR 60 Cb 0.64 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.47 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 1.00 0.71 0.09 1.79 0.00 -1.99 -0.27 119.26 120.61 2a7y h ALA 61 Ca 0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2a7y h ALA 61 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2a7y h ALA 61 CO 0.00 0.02 -1.20 1.79 0.00 0.00 0.00 179.25 179.86 2a7y h THR 62 N 0.63 1.53 0.00 0.00 1.35 -2.03 -2.49 112.91 111.91 2a7y h THR 62 Ca 0.23 -3.14 0.00 0.00 -0.55 0.00 0.00 66.41 62.95 2a7y h THR 62 Cb 0.06 2.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 2a7y h THR 62 CO -0.12 0.91 0.00 -0.33 -0.25 0.00 0.00 175.52 175.73 2a7y h GLU 63 N 0.05 0.00 0.00 4.72 4.39 -1.89 -3.27 114.58 118.59 2a7y h GLU 63 Ca -0.11 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 2a7y h GLU 63 Cb 1.92 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.57 2a7y h GLU 63 CO 0.18 0.00 -0.22 1.25 -1.16 0.00 0.00 179.01 179.06 2a7y h HIS 64 N 0.00 0.00 0.00 4.33 -0.00 -0.57 -3.37 115.15 115.53 2a7y h HIS 64 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2a7y h HIS 64 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 2a7y h HIS 64 CO 0.00 1.02 0.00 0.00 -0.00 0.00 0.00 177.93 178.95 2a7y n ALA 65 N -2.77 -0.35 0.01 5.26 0.00 -1.20 -0.36 120.51 121.10 2a7y n ALA 65 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 2a7y n ALA 65 Cb 0.49 0.13 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 2a7y n ALA 65 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2a7y h GLU 66 N 0.00 0.08 -0.58 0.00 -0.00 -1.84 -2.80 114.58 109.44 2a7y h GLU 66 Ca 0.00 -0.01 -0.07 0.00 -0.00 0.00 0.00 59.36 59.28 2a7y h GLU 66 Cb 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 28.71 2a7y h GLU 66 CO 0.00 0.10 0.08 0.00 -0.00 0.00 0.00 179.01 179.19 2a7y h ALA 67 N 0.97 1.04 -0.34 1.06 0.00 -1.72 -2.83 119.26 117.45 2a7y h ALA 67 Ca 0.02 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 2a7y h ALA 67 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2a7y h ALA 67 CO -0.00 0.61 -0.31 1.49 0.00 0.00 0.00 179.25 181.04 2a7y h GLU 68 N 0.89 0.80 0.63 0.00 4.81 -0.53 0.17 114.58 121.36 2a7y h GLU 68 Ca 0.18 -0.41 -0.03 0.00 -0.13 0.00 0.00 59.36 58.97 2a7y h GLU 68 Cb 0.41 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 2a7y h GLU 68 CO 0.01 1.05 -0.38 0.87 -0.73 0.00 0.00 179.01 179.83 2a7y h LYS 69 N 0.58 -0.91 -0.32 1.92 1.57 -1.39 0.13 116.57 118.14 2a7y h LYS 69 Ca 0.06 0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2a7y h LYS 69 Cb 0.89 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2a7y h LYS 69 CO 0.08 -0.61 0.11 0.00 -0.57 0.00 0.00 179.45 178.46 2a7y h ARG 70 N -0.95 0.48 0.00 3.15 3.08 -1.48 -2.79 114.38 115.87 2a7y h ARG 70 Ca -0.08 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2a7y h ARG 70 Cb 0.76 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2a7y h ARG 70 CO 0.09 0.51 -0.12 0.00 -1.07 0.00 0.00 179.97 179.38 2a7y h ALA 71 N 0.95 0.93 -0.06 0.04 0.00 -0.66 -1.95 119.26 118.51 2a7y h ALA 71 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 2a7y h ALA 71 Cb 0.21 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.02 2a7y h ALA 71 CO -0.01 0.00 -0.94 0.00 0.00 0.00 0.00 179.25 178.30 2a7y h ALA 72 N 2.36 0.21 0.00 0.00 0.00 -0.65 0.19 119.26 121.36 2a7y h ALA 72 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 2a7y h ALA 72 Cb 0.82 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2a7y h ALA 72 CO 0.00 0.69 -0.10 0.00 0.00 0.00 0.00 179.25 179.85 2a7y h ALA 73 N 0.48 1.42 0.00 0.00 0.00 -1.22 -2.28 119.26 117.65 2a7y h ALA 73 Ca -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2a7y h ALA 73 Cb 1.59 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 2a7y h ALA 73 CO 0.19 0.12 -0.17 -0.09 0.00 0.00 0.00 179.25 179.30 2a7y h ARG 74 N 0.00 0.00 0.45 0.00 2.43 -1.25 -3.36 114.38 112.64 2a7y h ARG 74 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2a7y h ARG 74 Cb 0.24 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2a7y h ARG 74 CO 0.01 0.35 -0.40 0.00 -1.51 0.00 0.00 179.97 178.42 2a7y h ALA 75 N -0.69 -1.10 -0.31 2.80 0.00 -0.53 -2.75 119.26 116.67 2a7y h ALA 75 Ca -0.03 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 2a7y h ALA 75 Cb 0.44 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 2a7y h ALA 75 CO -0.02 -1.11 0.21 0.41 0.00 0.00 0.00 179.25 178.74 2a7y n GLY 76 N -1.46 2.80 0.04 0.00 0.00 -0.87 -2.98 105.19 102.72 2a7y n GLY 76 Ca -0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.00 0.00 0.68 1.61 -0.00 -1.04 -4.59 115.22 111.87 2a7y n HIS 77 Ca 0.19 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 58.01 2a7y n HIS 77 Cb 0.86 -0.38 -0.13 0.00 -0.00 0.00 0.00 29.99 30.33 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 -2.27 4.14 -3.84 1.57 0.00 -1.16 -4.80 120.51 114.15 2a7y n ALA 78 Ca -0.12 -0.57 -0.30 0.00 0.00 0.00 0.00 53.44 52.44 2a7y n ALA 78 Cb 0.73 -0.76 -0.15 0.00 0.00 0.00 0.00 19.45 19.27 2a7y n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a7y s ALA 79 N -3.15 1.89 0.00 0.00 0.00 -1.17 -5.16 121.76 114.17 2a7y s ALA 79 Ca 0.03 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2a7y s ALA 79 Cb 0.15 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.65 2a7y s ALA 79 CO 0.88 -1.52 0.00 -2.37 0.00 0.00 0.00 175.76 172.74