#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 1.58 0.29 1.12 5.65 -1.26 -3.90 115.29 118.77 2a7y s HIS 2 Ca 0.00 -0.62 0.05 0.00 0.25 0.00 0.00 55.06 54.74 2a7y s HIS 2 Cb 0.00 -1.16 -0.02 0.00 -1.18 0.00 0.00 32.58 30.22 2a7y s HIS 2 CO 0.00 -0.32 0.43 0.00 -0.65 0.00 0.00 174.74 174.20 2a7y s ALA 3 N 0.75 3.99 -0.04 1.58 0.00 0.22 -4.91 121.76 123.36 2a7y s ALA 3 Ca -0.13 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 50.45 2a7y s ALA 3 Cb -0.16 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.21 2a7y s ALA 3 CO 0.03 0.09 0.28 0.21 0.00 0.00 0.00 175.76 176.36 2a7y s LYS 4 N -4.11 0.55 0.16 0.00 2.20 -1.26 -4.89 119.74 112.39 2a7y s LYS 4 Ca 0.39 -0.07 -0.21 0.00 -0.36 0.00 0.00 55.97 55.72 2a7y s LYS 4 Cb -0.09 0.25 -0.08 0.00 -1.51 0.00 0.00 37.83 36.40 2a7y s LYS 4 CO 0.31 -0.13 0.69 0.54 -0.36 0.00 0.00 175.35 176.39 2a7y s VAL 5 N -0.95 4.57 0.00 4.02 0.11 -1.26 -3.62 120.40 123.27 2a7y s VAL 5 Ca -0.10 1.36 0.00 0.00 -2.93 0.00 0.00 61.98 60.31 2a7y s VAL 5 Cb -0.05 -3.94 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 2a7y s VAL 5 CO 0.03 0.40 0.00 0.61 -3.33 0.00 0.00 175.10 172.80 2a7y n GLY 6 N 1.25 0.75 3.62 6.54 0.00 0.37 -5.01 105.19 112.70 2a7y n GLY 6 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.53 3.71 0.03 1.61 1.01 -1.24 -4.95 116.67 114.32 2a7y s ASP 7 Ca 0.00 -1.42 0.04 0.00 0.71 0.00 0.00 52.55 51.88 2a7y s ASP 7 Cb 0.00 -0.21 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 2a7y s ASP 7 CO 0.00 -0.54 -0.04 -0.31 0.21 0.00 0.00 175.17 174.50 2a7y s TYR 8 N -2.82 2.94 -0.10 4.23 2.02 0.05 -0.38 117.35 123.29 2a7y s TYR 8 Ca 0.31 -0.02 -0.08 0.00 -0.37 0.00 0.00 57.07 56.91 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 0.43 0.18 -1.17 -1.57 0.00 0.00 175.55 173.57 2a7y s LEU 9 N -1.76 4.40 0.08 -1.29 0.20 0.57 -0.45 118.68 120.45 2a7y s LEU 9 Ca 0.20 0.53 0.05 0.00 0.69 0.00 0.00 54.13 55.60 2a7y s LEU 9 Cb -0.11 -2.15 -0.03 0.00 -0.43 0.00 0.00 46.19 43.47 2a7y s LEU 9 CO 0.11 0.40 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.75 2a7y s VAL 10 N -1.04 1.12 0.06 1.68 1.01 0.45 -2.16 120.40 121.51 2a7y s VAL 10 Ca 0.16 -1.42 0.03 0.00 0.00 0.00 0.00 61.98 60.75 2a7y s VAL 10 Cb -0.13 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 2a7y s VAL 10 CO 0.05 -0.31 -0.10 -0.69 0.00 0.00 0.00 175.10 174.06 2a7y s VAL 11 N -1.58 0.75 0.04 2.92 1.01 0.45 -0.40 120.40 123.59 2a7y s VAL 11 Ca 0.01 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.72 2a7y s VAL 11 Cb -0.08 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.41 2a7y s VAL 11 CO 0.02 -0.40 0.00 0.29 0.00 0.00 0.00 175.10 175.02 2a7y n LYS 12 N 1.20 -0.37 -2.14 2.72 5.02 -0.84 -0.41 118.16 123.34 2a7y n LYS 12 Ca -0.21 0.28 -0.05 0.00 -2.02 0.00 0.00 58.31 56.31 2a7y n LYS 12 Cb 0.55 -0.31 0.02 0.00 -0.02 0.00 0.00 35.03 35.27 2a7y n LYS 12 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a7y n GLY 13 N -0.90 0.26 0.20 0.72 0.00 -1.24 -4.05 105.19 100.18 2a7y n GLY 13 Ca 0.00 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.08 2a7y n GLY 13 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2a7y h THR 14 N -0.39 0.00 0.00 2.61 1.35 -1.88 -1.50 112.91 113.10 2a7y h THR 14 Ca -0.18 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2a7y h THR 14 Cb 1.10 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2a7y h THR 14 CO 0.14 0.00 0.00 0.74 -0.25 0.00 0.00 175.52 176.15 2a7y h THR 15 N 0.00 0.00 -3.49 6.82 2.02 -1.96 -3.47 112.91 112.83 2a7y h THR 15 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2a7y h THR 15 Cb 0.41 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2a7y h THR 15 CO 0.00 0.00 -0.16 0.41 0.37 0.00 0.00 175.52 176.14 2a7y n THR 16 N -2.30 -4.11 0.21 3.16 -1.04 -0.56 -5.04 114.28 104.59 2a7y n THR 16 Ca 0.01 0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 2a7y n THR 16 Cb 0.18 -4.69 0.00 0.00 -1.82 0.00 0.00 70.33 64.00 2a7y n THR 16 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2a7y n GLU 17 N -0.18 0.00 -3.97 -2.82 0.00 -1.26 -5.07 120.64 107.35 2a7y n GLU 17 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.87 2a7y n GLU 17 Cb 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.34 2a7y n GLU 17 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 2a7y s ARG 18 N -1.99 1.62 -0.35 5.31 1.70 -1.26 -5.09 118.95 118.89 2a7y s ARG 18 Ca 0.00 -1.35 -0.11 0.00 -0.47 0.00 0.00 55.73 53.80 2a7y s ARG 18 Cb 0.00 -2.77 0.01 0.00 -0.57 0.00 0.00 34.95 31.62 2a7y s ARG 18 CO 0.00 -0.74 0.20 -1.01 -1.08 0.00 0.00 175.30 172.68 2a7y s HIS 19 N 1.21 3.22 0.00 5.89 3.76 -1.26 -3.69 115.29 124.41 2a7y s HIS 19 Ca 0.00 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.26 2a7y s HIS 19 Cb -0.19 -2.43 0.00 0.00 1.11 0.00 0.00 32.58 31.07 2a7y s HIS 19 CO -0.09 -0.52 0.00 -0.25 -0.85 0.00 0.00 174.74 173.03 2a7y n ASP 20 N 5.03 0.94 -3.33 1.40 8.00 0.45 -4.88 116.55 124.16 2a7y n ASP 20 Ca -0.13 -0.61 -0.18 0.00 0.71 0.00 0.00 54.79 54.59 2a7y n ASP 20 Cb 0.48 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.60 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 -0.32 -1.05 -4.64 -1.24 6.02 -1.01 -0.41 117.38 114.73 2a7y n GLN 21 Ca 0.00 1.08 -0.30 0.00 -0.01 0.00 0.00 57.00 57.77 2a7y n GLN 21 Cb 0.00 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.63 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 -1.22 2.41 -0.02 1.08 3.76 -1.06 -2.36 115.29 117.88 2a7y s HIS 22 Ca 0.18 -0.34 -0.29 0.00 -0.15 0.00 0.00 55.06 54.45 2a7y s HIS 22 Cb -0.02 -1.37 0.10 0.00 1.11 0.00 0.00 32.58 32.40 2a7y s HIS 22 CO 0.41 0.24 1.29 0.00 -0.85 0.00 0.00 174.74 175.83 2a7y s ALA 23 N -0.94 -2.45 -0.21 -1.40 0.00 -0.92 -3.88 121.76 111.96 2a7y s ALA 23 Ca 0.14 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 2a7y s ALA 23 Cb -0.10 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 2a7y s ALA 23 CO 0.05 -1.14 0.21 -2.00 0.00 0.00 0.00 175.76 172.88 2a7y s GLU 24 N -2.08 4.15 -0.59 0.00 2.12 -0.20 -0.31 118.70 121.80 2a7y s GLU 24 Ca 0.27 -0.13 -0.23 0.00 0.36 0.00 0.00 54.97 55.25 2a7y s GLU 24 Cb 0.00 -3.48 0.06 0.00 0.26 0.00 0.00 34.13 30.97 2a7y s GLU 24 CO -0.01 0.15 0.90 0.42 -0.54 0.00 0.00 175.26 176.18 2a7y s ILE 25 N 0.77 4.44 -0.04 -3.70 1.01 0.49 -0.97 121.20 123.21 2a7y s ILE 25 Ca 0.11 -0.15 0.16 0.00 0.00 0.00 0.00 60.65 60.76 2a7y s ILE 25 Cb -0.13 -4.57 -0.24 0.00 0.01 0.00 0.00 42.46 37.53 2a7y s ILE 25 CO 0.03 -1.22 0.35 2.30 0.00 0.00 0.00 174.94 176.39 2a7y n ILE 26 N 5.97 0.00 -3.75 2.92 -0.00 -1.24 -0.48 119.36 122.79 2a7y n ILE 26 Ca -0.02 -0.35 -0.27 0.00 -0.00 0.00 0.00 62.75 62.10 2a7y n ILE 26 Cb 0.46 0.16 -0.17 0.00 -0.00 0.00 0.00 39.64 40.10 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 -3.07 0.72 -0.33 6.28 0.41 -1.16 -4.84 118.70 116.72 2a7y s GLU 27 Ca -0.05 -0.41 -0.13 0.00 -0.41 0.00 0.00 54.97 53.96 2a7y s GLU 27 Cb 0.10 -2.04 -0.02 0.00 -1.78 0.00 0.00 34.13 30.39 2a7y s GLU 27 CO 0.65 -0.61 0.28 0.08 -0.49 0.00 0.00 175.26 175.17 2a7y s VAL 28 N 1.84 5.25 -0.22 2.63 1.01 -1.26 -1.69 120.40 127.96 2a7y s VAL 28 Ca -0.01 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2a7y s VAL 28 Cb -0.17 -3.72 0.27 0.00 0.00 0.00 0.00 36.38 32.76 2a7y s VAL 28 CO -0.08 0.01 1.55 0.54 0.00 0.00 0.00 175.10 177.12 2a7y n ARG 29 N 5.20 1.60 -3.77 2.72 5.12 -1.26 -4.81 116.66 121.45 2a7y n ARG 29 Ca -0.11 -1.36 -0.13 0.00 -1.93 0.00 0.00 57.85 54.32 2a7y n ARG 29 Cb 0.50 -1.53 -0.09 0.00 -1.16 0.00 0.00 32.46 30.18 2a7y n ARG 29 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2a7y s SER 30 N 0.06 -0.18 0.14 0.55 0.15 -1.26 -4.80 113.70 108.37 2a7y s SER 30 Ca 0.26 0.09 0.25 0.00 0.70 0.00 0.00 55.95 57.25 2a7y s SER 30 Cb 0.22 0.33 0.52 0.00 -1.71 0.00 0.00 66.02 65.37 2a7y s SER 30 CO 0.04 -0.41 1.49 0.00 1.20 0.00 0.00 173.24 175.55 2a7y n ALA 31 N 1.42 2.72 -0.08 5.45 0.00 -1.26 -4.73 120.51 124.03 2a7y n ALA 31 Ca -0.21 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2a7y n ALA 31 Cb 0.56 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2a7y n ALA 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2a7y n ASP 32 N -2.13 0.00 0.00 0.00 2.03 -1.26 -5.00 116.55 110.19 2a7y n ASP 32 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2a7y n ASP 32 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 2a7y n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2a7y n GLY 33 N 2.45 -2.08 3.08 0.27 0.00 -1.25 -0.61 105.19 107.04 2a7y n GLY 33 Ca 0.00 1.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.90 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 -0.26 0.90 1.61 1.04 -1.26 -4.69 113.70 111.04 2a7y s SER 34 Ca 0.00 0.52 -0.10 0.00 0.48 0.00 0.00 55.95 56.85 2a7y s SER 34 Cb 0.00 0.44 0.14 0.00 0.10 0.00 0.00 66.02 66.70 2a7y s SER 34 CO 0.00 -0.14 1.14 -2.84 0.98 0.00 0.00 173.24 172.37 2a7y s PRO 35 N 0.94 1.14 0.88 4.02 0.02 -1.26 -4.44 135.00 136.30 2a7y s PRO 35 Ca -0.07 1.47 -0.09 0.00 0.02 0.00 0.00 61.00 62.33 2a7y s PRO 35 Cb -0.08 -1.75 0.18 0.00 0.02 0.00 0.00 34.50 32.88 2a7y s PRO 35 CO -0.06 -2.52 1.20 -1.25 -0.33 0.00 0.00 177.00 174.03 2a7y s PRO 36 N -4.68 0.94 0.09 5.54 0.04 -1.26 -5.02 135.00 130.63 2a7y s PRO 36 Ca 0.66 -0.82 0.04 0.00 0.04 0.00 0.00 61.00 60.92 2a7y s PRO 36 Cb -0.22 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 2a7y s PRO 36 CO 0.58 -2.09 -0.11 0.71 0.04 0.00 0.00 177.00 176.13 2a7y s TYR 37 N -3.60 1.06 -0.32 0.56 2.02 -1.05 -4.04 117.35 111.98 2a7y s TYR 37 Ca 0.72 -0.59 -0.13 0.00 -0.37 0.00 0.00 57.07 56.70 2a7y s TYR 37 Cb -0.03 -0.58 -0.03 0.00 -0.40 0.00 0.00 41.96 40.91 2a7y s TYR 37 CO 0.50 0.01 0.28 0.08 -1.57 0.00 0.00 175.55 174.85 2a7y s VAL 38 N -2.04 5.24 0.07 0.71 1.01 -0.68 -1.76 120.40 122.96 2a7y s VAL 38 Ca 0.02 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.14 2a7y s VAL 38 Cb -0.05 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2a7y s VAL 38 CO 0.01 0.06 -0.20 0.54 0.00 0.00 0.00 175.10 175.50 2a7y s VAL 39 N 1.87 1.62 -0.11 2.92 0.11 0.50 -2.97 120.40 124.35 2a7y s VAL 39 Ca 0.09 -1.35 0.01 0.00 -2.93 0.00 0.00 61.98 57.80 2a7y s VAL 39 Cb -0.17 -1.45 -0.01 0.00 -1.53 0.00 0.00 36.38 33.22 2a7y s VAL 39 CO 0.11 0.04 -0.16 -0.13 -3.33 0.00 0.00 175.10 171.64 2a7y s ARG 40 N -1.55 3.14 -0.66 1.54 0.52 -0.14 -1.49 118.95 120.32 2a7y s ARG 40 Ca 0.06 -0.73 -0.24 0.00 -0.52 0.00 0.00 55.73 54.30 2a7y s ARG 40 Cb -0.09 -2.51 0.05 0.00 0.52 0.00 0.00 34.95 32.92 2a7y s ARG 40 CO 0.03 0.28 1.05 -1.58 0.02 0.00 0.00 175.30 175.10 2a7y s TRP 41 N 0.15 2.59 -0.13 -0.53 0.52 0.49 -1.03 118.94 121.00 2a7y s TRP 41 Ca -0.08 -0.29 -0.13 0.00 0.02 0.00 0.00 56.10 55.62 2a7y s TRP 41 Cb -0.15 -4.35 -0.11 0.00 -1.15 0.00 0.00 33.47 27.71 2a7y s TRP 41 CO 0.05 -1.70 0.26 -0.07 0.02 0.00 0.00 176.95 175.51 2a7y h LEU 42 N 11.74 0.00 0.00 2.99 3.38 -1.96 0.38 115.31 131.84 2a7y h LEU 42 Ca -0.28 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2a7y h LEU 42 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2a7y h LEU 42 CO 1.19 0.81 0.00 1.33 0.09 0.00 0.00 178.44 181.86 2a7y n VAL 43 N -4.67 0.22 -0.05 1.22 0.24 -1.26 -3.53 118.33 110.50 2a7y n VAL 43 Ca -0.08 0.06 -0.05 0.00 -2.04 0.00 0.00 64.34 62.23 2a7y n VAL 43 Cb 0.27 -0.65 -0.02 0.00 -1.47 0.00 0.00 33.84 31.97 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 -1.29 1.12 0.00 -1.34 3.02 -1.24 -4.83 115.26 110.70 2a7y n ASN 44 Ca 0.12 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 2a7y n ASN 44 Cb 0.19 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 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 1.48 0.51 3.64 7.41 0.00 0.13 -5.09 105.19 113.27 2a7y n GLY 45 Ca -0.08 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.02 0.10 1.61 5.04 -0.75 -4.99 115.29 116.27 2a7y s HIS 46 Ca 0.00 0.02 0.06 0.00 -1.54 0.00 0.00 55.06 53.60 2a7y s HIS 46 Cb 0.00 0.50 -0.04 0.00 0.04 0.00 0.00 32.58 33.08 2a7y s HIS 46 CO 0.00 -0.03 -0.04 -1.21 -2.34 0.00 0.00 174.74 171.12 2a7y s GLU 47 N -1.74 2.37 0.02 2.88 8.01 -1.26 -0.38 118.70 128.60 2a7y s GLU 47 Ca 0.11 -0.94 -0.27 0.00 0.01 0.00 0.00 54.97 53.88 2a7y s GLU 47 Cb -0.01 -2.43 0.09 0.00 -4.31 0.00 0.00 34.13 27.47 2a7y s GLU 47 CO -0.04 0.52 1.23 -2.37 0.01 0.00 0.00 175.26 174.61 2a7y n THR 48 N 0.56 0.00 -4.57 3.63 5.66 -0.55 -4.99 114.28 114.02 2a7y n THR 48 Ca -0.12 -0.24 -0.33 0.00 -3.05 0.00 0.00 64.05 60.32 2a7y n THR 48 Cb 0.52 0.62 -0.16 0.00 -1.55 0.00 0.00 70.33 69.76 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 2.06 0.20 1.09 2.01 -1.26 -0.37 115.64 117.35 2a7y s THR 49 Ca 0.29 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.39 2a7y s THR 49 Cb -0.01 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 2a7y s THR 49 CO 0.01 0.55 -0.13 0.68 -0.69 0.00 0.00 174.62 175.04 2a7y s VAL 50 N 0.90 1.63 -0.36 3.82 -7.23 -0.72 -4.62 120.40 113.83 2a7y s VAL 50 Ca -0.05 -2.18 -0.04 0.00 -1.81 0.00 0.00 61.98 57.90 2a7y s VAL 50 Cb -0.15 -2.05 0.07 0.00 0.56 0.00 0.00 36.38 34.81 2a7y s VAL 50 CO -0.04 -0.59 0.13 -0.31 -0.31 0.00 0.00 175.10 173.98 2a7y s TYR 51 N -3.04 3.37 1.02 2.82 2.02 -1.25 -2.54 117.35 119.75 2a7y s TYR 51 Ca 0.22 -1.86 -0.17 0.00 -0.37 0.00 0.00 57.07 54.89 2a7y s TYR 51 Cb 0.00 -2.62 0.25 0.00 -0.40 0.00 0.00 41.96 39.19 2a7y s TYR 51 CO 0.06 -0.84 1.02 -2.30 -1.57 0.00 0.00 175.55 171.92 2a7y n PRO 52 N 4.71 -2.41 0.00 -1.71 -0.02 -1.26 -4.97 135.00 129.34 2a7y n PRO 52 Ca -0.09 -1.61 0.00 0.00 -2.02 0.00 0.00 63.50 59.78 2a7y n PRO 52 Cb 0.43 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 2a7y n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a7y n GLY 53 N -3.54 6.24 3.78 -1.23 0.00 -1.26 -5.05 105.19 104.13 2a7y n GLY 53 Ca 0.14 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 2a7y n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a7y s SER 54 N 1.00 5.03 -0.95 1.61 0.15 -1.26 -3.92 113.70 115.37 2a7y s SER 54 Ca 0.00 1.88 -0.06 0.00 0.70 0.00 0.00 55.95 58.47 2a7y s SER 54 Cb 0.00 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 2a7y s SER 54 CO 0.00 -1.68 0.76 0.47 1.20 0.00 0.00 173.24 174.00 2a7y n ASP 55 N -2.80 -4.98 -4.71 5.45 9.92 -1.26 -1.99 116.55 116.19 2a7y n ASP 55 Ca 0.09 -0.35 -0.42 0.00 -0.53 0.00 0.00 54.79 53.59 2a7y n ASP 55 Cb 0.53 -3.60 -0.03 0.00 -0.64 0.00 0.00 41.12 37.38 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 -3.19 3.32 0.26 2.24 0.00 -1.25 -2.01 121.76 121.12 2a7y s ALA 56 Ca 0.38 0.67 0.07 0.00 0.00 0.00 0.00 51.96 53.08 2a7y s ALA 56 Cb -0.17 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 2a7y s ALA 56 CO 0.47 -0.41 -0.07 0.08 0.00 0.00 0.00 175.76 175.83 2a7y s VAL 57 N 1.25 1.61 -0.21 0.00 1.01 0.46 -4.90 120.40 119.62 2a7y s VAL 57 Ca 0.55 -2.14 -0.02 0.00 0.00 0.00 0.00 61.98 60.38 2a7y s VAL 57 Cb -0.25 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.78 2a7y s VAL 57 CO 0.27 -0.37 -0.10 -0.69 0.00 0.00 0.00 175.10 174.21 2a7y s VAL 58 N -3.04 2.83 0.53 2.92 1.01 -1.26 -0.41 120.40 122.98 2a7y s VAL 58 Ca 0.28 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.59 2a7y s VAL 58 Cb 0.03 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.16 2a7y s VAL 58 CO 0.10 0.45 0.26 0.68 0.00 0.00 0.00 175.10 176.60 2a7y s VAL 59 N 1.39 1.48 0.00 2.92 -7.23 0.41 -4.92 120.40 114.46 2a7y s VAL 59 Ca 0.05 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 2a7y s VAL 59 Cb -0.14 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.65 2a7y s VAL 59 CO -0.07 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.07 2a7y n THR 60 N -1.59 0.00 -0.22 5.32 -2.24 -1.26 -0.77 114.28 113.52 2a7y n THR 60 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2a7y n THR 60 Cb 0.65 -0.03 0.08 0.00 -2.10 0.00 0.00 70.33 68.92 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 0.98 0.48 -0.32 6.98 0.00 -1.99 -2.16 119.26 123.22 2a7y h ALA 61 Ca 0.00 0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 2a7y h ALA 61 Cb 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2a7y h ALA 61 CO 0.00 -0.42 -0.44 1.79 0.00 0.00 0.00 179.25 180.17 2a7y h THR 62 N 0.02 1.28 0.00 0.00 1.35 -2.02 -1.56 112.91 111.98 2a7y h THR 62 Ca 0.32 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.55 2a7y h THR 62 Cb 0.50 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2a7y h THR 62 CO -0.65 0.53 0.00 -0.33 -0.25 0.00 0.00 175.52 174.83 2a7y h GLU 63 N 0.67 0.00 0.19 4.72 4.39 -1.84 -3.06 114.58 119.64 2a7y h GLU 63 Ca 0.04 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.46 2a7y h GLU 63 Cb 1.02 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.70 2a7y h GLU 63 CO 0.10 0.00 -1.33 1.25 -1.16 0.00 0.00 179.01 177.87 2a7y h HIS 64 N 0.00 0.72 0.00 4.33 -0.00 -0.67 -3.34 115.15 116.19 2a7y h HIS 64 Ca 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 60.37 59.84 2a7y h HIS 64 Cb 0.32 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 2a7y h HIS 64 CO 0.00 1.51 0.00 0.00 -0.00 0.00 0.00 177.93 179.44 2a7y n ALA 65 N -2.78 -0.26 -0.00 5.26 0.00 -1.10 -0.35 120.51 121.28 2a7y n ALA 65 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 2a7y n ALA 65 Cb 0.99 0.06 -0.09 0.00 0.00 0.00 0.00 19.45 20.41 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 0.04 -0.09 0.00 4.11 -1.83 -2.79 114.58 114.02 2a7y h GLU 66 Ca 0.00 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.33 2a7y h GLU 66 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2a7y h GLU 66 CO 0.00 0.35 -0.34 0.00 0.07 0.00 0.00 179.01 179.09 2a7y h ALA 67 N 0.69 1.27 0.00 1.06 0.00 -1.68 -2.61 119.26 117.99 2a7y h ALA 67 Ca 0.01 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 2a7y h ALA 67 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2a7y h ALA 67 CO 0.00 0.50 -0.90 1.49 0.00 0.00 0.00 179.25 180.35 2a7y h GLU 68 N 0.15 0.24 0.34 0.00 4.81 -0.68 0.15 114.58 119.59 2a7y h GLU 68 Ca 0.02 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 2a7y h GLU 68 Cb 0.68 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 2a7y h GLU 68 CO 0.05 0.99 -0.41 0.87 -0.73 0.00 0.00 179.01 179.78 2a7y h LYS 69 N 0.13 -0.74 -0.31 1.92 1.57 -1.19 0.15 116.57 118.11 2a7y h LYS 69 Ca -0.05 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2a7y h LYS 69 Cb 1.53 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.99 2a7y h LYS 69 CO 0.14 -0.49 0.02 0.00 -0.57 0.00 0.00 179.45 178.55 2a7y h ARG 70 N -0.76 0.53 0.00 3.15 3.08 -1.52 -2.82 114.38 116.04 2a7y h ARG 70 Ca -0.04 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2a7y h ARG 70 Cb 0.68 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2a7y h ARG 70 CO -0.09 0.65 0.00 0.00 -1.07 0.00 0.00 179.97 179.46 2a7y h ALA 71 N 0.86 1.00 0.06 0.04 0.00 -0.72 -2.14 119.26 118.36 2a7y h ALA 71 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 2a7y h ALA 71 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2a7y h ALA 71 CO 0.01 0.00 -1.09 0.00 0.00 0.00 0.00 179.25 178.17 2a7y h ALA 72 N 2.34 0.21 -0.10 0.00 0.00 -0.63 0.17 119.26 121.24 2a7y h ALA 72 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 54.91 54.17 2a7y h ALA 72 Cb 0.77 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2a7y h ALA 72 CO 0.00 0.83 0.08 0.00 0.00 0.00 0.00 179.25 180.16 2a7y h ALA 73 N 0.60 2.03 0.24 0.00 0.00 -1.19 0.11 119.26 121.06 2a7y h ALA 73 Ca -0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2a7y h ALA 73 Cb 1.76 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2a7y h ALA 73 CO 0.19 -0.13 -0.12 0.00 0.00 0.00 0.00 179.25 179.19 2a7y h ARG 74 N 0.00 -0.31 0.52 0.00 2.47 -1.12 -3.34 114.38 112.61 2a7y h ARG 74 Ca 0.05 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 2a7y h ARG 74 Cb 0.20 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 2a7y h ARG 74 CO -0.00 -0.12 -0.25 0.00 0.56 0.00 0.00 179.97 180.15 2a7y h ALA 75 N -0.94 -1.19 -0.21 0.04 0.00 -0.47 -3.22 119.26 113.27 2a7y h ALA 75 Ca -0.03 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2a7y h ALA 75 Cb 0.33 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2a7y h ALA 75 CO 0.05 -1.14 0.13 0.41 0.00 0.00 0.00 179.25 178.71 2a7y n GLY 76 N -1.35 2.50 0.13 0.00 0.00 0.37 -3.38 105.19 103.46 2a7y n GLY 76 Ca -0.09 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.73 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 0.27 0.00 -2.93 1.61 6.17 -1.67 -3.47 115.15 115.13 2a7y h HIS 77 Ca 0.13 0.00 -0.11 0.00 0.71 0.00 0.00 60.37 61.11 2a7y h HIS 77 Cb 1.37 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 31.28 2a7y h HIS 77 CO 0.34 0.43 0.01 0.00 0.71 0.00 0.00 177.93 179.42 2a7y n ALA 78 N -2.26 -0.51 -1.06 5.26 0.00 -1.22 -4.93 120.51 115.79 2a7y n ALA 78 Ca -0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 53.44 52.55 2a7y n ALA 78 Cb 0.73 0.69 -0.01 0.00 0.00 0.00 0.00 19.45 20.85 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 -1.65 -0.03 1.13 0.00 0.00 -1.26 -4.85 120.51 113.85 2a7y n ALA 79 Ca -0.09 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.52 2a7y n ALA 79 Cb 0.34 -1.15 0.21 0.00 0.00 0.00 0.00 19.45 18.85 2a7y n ALA 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75