#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 -1.67 -0.27 1.12 5.65 -1.26 -4.64 115.29 114.21 2a7y s HIS 2 Ca 0.00 0.98 -0.09 0.00 0.25 0.00 0.00 55.06 56.21 2a7y s HIS 2 Cb 0.00 0.29 -0.03 0.00 -1.18 0.00 0.00 32.58 31.66 2a7y s HIS 2 CO 0.00 -0.97 0.11 0.00 -0.65 0.00 0.00 174.74 173.23 2a7y s ALA 3 N 2.85 3.27 0.27 1.58 0.00 -1.26 -4.72 121.76 123.76 2a7y s ALA 3 Ca 0.13 -1.15 0.06 0.00 0.00 0.00 0.00 51.96 50.99 2a7y s ALA 3 Cb -0.09 -2.23 -0.06 0.00 0.00 0.00 0.00 23.12 20.75 2a7y s ALA 3 CO -0.26 -0.56 -0.06 0.21 0.00 0.00 0.00 175.76 175.10 2a7y s LYS 4 N 1.65 1.51 0.58 0.00 2.47 -1.26 -4.72 119.74 119.98 2a7y s LYS 4 Ca 0.06 -1.76 -0.19 0.00 -1.56 0.00 0.00 55.97 52.52 2a7y s LYS 4 Cb -0.16 -1.09 -0.04 0.00 -1.46 0.00 0.00 37.83 35.08 2a7y s LYS 4 CO 0.06 0.03 1.19 0.54 0.16 0.00 0.00 175.35 177.33 2a7y s VAL 5 N -3.06 2.75 0.00 4.02 0.11 -1.26 -3.70 120.40 119.26 2a7y s VAL 5 Ca 0.29 0.47 0.00 0.00 -2.93 0.00 0.00 61.98 59.81 2a7y s VAL 5 Cb 0.04 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.70 2a7y s VAL 5 CO 0.11 -0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 2a7y n GLY 6 N 0.43 0.66 3.34 6.54 0.00 -0.66 -5.00 105.19 110.50 2a7y n GLY 6 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.44 0.94 0.15 1.61 1.01 -1.24 -5.04 116.67 111.66 2a7y s ASP 7 Ca 0.00 -1.53 0.04 0.00 0.71 0.00 0.00 52.55 51.78 2a7y s ASP 7 Cb 0.00 0.54 -0.04 0.00 1.01 0.00 0.00 42.92 44.43 2a7y s ASP 7 CO 0.00 -1.07 0.16 -0.31 0.21 0.00 0.00 175.17 174.16 2a7y s TYR 8 N -3.57 3.22 -0.17 4.23 1.51 0.50 -0.48 117.35 122.59 2a7y s TYR 8 Ca 0.36 0.02 -0.10 0.00 -1.01 0.00 0.00 57.07 56.34 2a7y s TYR 8 Cb 0.03 -1.56 -0.05 0.00 -0.11 0.00 0.00 41.96 40.27 2a7y s TYR 8 CO 0.20 0.52 0.18 -1.17 -1.11 0.00 0.00 175.55 174.17 2a7y s LEU 9 N -3.05 4.26 0.01 -1.29 0.20 0.80 -0.41 118.68 119.20 2a7y s LEU 9 Ca 0.31 0.36 0.01 0.00 0.69 0.00 0.00 54.13 55.50 2a7y s LEU 9 Cb -0.10 -2.16 -0.01 0.00 -0.43 0.00 0.00 46.19 43.48 2a7y s LEU 9 CO 0.24 0.21 -0.04 -0.69 -0.29 0.00 0.00 176.35 175.78 2a7y s VAL 10 N 0.08 0.27 -0.15 1.68 1.01 -0.46 -2.38 120.40 120.45 2a7y s VAL 10 Ca 0.12 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 2a7y s VAL 10 Cb -0.12 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 2a7y s VAL 10 CO 0.01 -0.12 0.17 -0.69 0.00 0.00 0.00 175.10 174.47 2a7y s VAL 11 N -0.56 5.41 0.00 2.92 1.01 0.57 -0.35 120.40 129.40 2a7y s VAL 11 Ca -0.04 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2a7y s VAL 11 Cb -0.04 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2a7y s VAL 11 CO -0.00 0.51 0.00 1.17 0.00 0.00 0.00 175.10 176.78 2a7y n LYS 12 N 2.80 0.00 0.00 2.72 3.00 0.37 -2.43 118.16 124.62 2a7y n LYS 12 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 2a7y n LYS 12 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 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 0.00 1.33 3.42 3.14 0.00 -1.26 -4.74 105.19 107.07 2a7y n GLY 13 Ca 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 2a7y n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a7y s THR 14 N 0.00 -0.66 0.00 2.61 -4.23 -1.26 -0.72 115.64 111.38 2a7y s THR 14 Ca 0.00 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 2a7y s THR 14 Cb 0.00 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 73.05 2a7y s THR 14 CO 0.00 0.04 0.00 0.41 -0.54 0.00 0.00 174.62 174.53 2a7y n THR 15 N 5.23 0.00 -0.04 3.99 -1.04 -1.26 -4.97 114.28 116.18 2a7y n THR 15 Ca -0.12 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.84 2a7y n THR 15 Cb 0.50 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.96 2a7y n THR 15 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2a7y n THR 16 N -1.10 0.58 -2.88 12.58 -1.04 -1.26 -5.02 114.28 116.13 2a7y n THR 16 Ca 0.00 -0.31 -0.22 0.00 -2.04 0.00 0.00 64.05 61.49 2a7y n THR 16 Cb 0.00 -0.81 0.02 0.00 -1.82 0.00 0.00 70.33 67.72 2a7y n THR 16 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2a7y s GLU 17 N -2.20 2.85 0.85 -2.82 8.01 -1.26 -5.12 118.70 119.00 2a7y s GLU 17 Ca -0.08 -0.69 -0.10 0.00 0.01 0.00 0.00 54.97 54.12 2a7y s GLU 17 Cb 0.03 -2.56 0.15 0.00 -4.31 0.00 0.00 34.13 27.44 2a7y s GLU 17 CO 0.30 -0.42 1.18 -0.98 0.01 0.00 0.00 175.26 175.35 2a7y s ARG 18 N -4.60 1.25 -0.73 1.61 1.70 -1.26 -4.38 118.95 112.54 2a7y s ARG 18 Ca 0.52 -0.53 -0.26 0.00 -0.47 0.00 0.00 55.73 54.98 2a7y s ARG 18 Cb -0.10 -2.03 0.01 0.00 -0.57 0.00 0.00 34.95 32.25 2a7y s ARG 18 CO 0.37 -1.92 1.58 -3.38 -1.08 0.00 0.00 175.30 170.87 2a7y s HIS 19 N -3.57 2.02 0.33 5.89 0.00 0.10 -4.40 115.29 115.66 2a7y s HIS 19 Ca 0.69 0.26 0.09 0.00 -3.00 0.00 0.00 55.06 53.10 2a7y s HIS 19 Cb -0.06 -4.38 -0.06 0.00 -4.00 0.00 0.00 32.58 24.08 2a7y s HIS 19 CO 0.49 -2.13 -0.08 0.34 -1.00 0.00 0.00 174.74 172.36 2a7y s ASP 20 N 5.91 3.50 -0.14 7.38 2.15 -1.02 -4.84 116.67 129.62 2a7y s ASP 20 Ca 0.51 -1.20 -0.10 0.00 0.43 0.00 0.00 52.55 52.20 2a7y s ASP 20 Cb -0.09 -0.31 0.04 0.00 -0.30 0.00 0.00 42.92 42.26 2a7y s ASP 20 CO 0.14 -0.24 0.19 0.00 -0.17 0.00 0.00 175.17 175.09 2a7y n GLN 21 N -0.75 -4.03 -3.79 4.34 6.02 -0.89 -0.32 117.38 117.96 2a7y n GLN 21 Ca -0.05 3.09 -0.12 0.00 -0.01 0.00 0.00 57.00 59.91 2a7y n GLN 21 Cb 0.64 -4.45 -0.09 0.00 1.02 0.00 0.00 30.24 27.36 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 -0.56 -0.10 -0.07 1.08 2.46 -1.14 -2.58 115.29 114.38 2a7y s HIS 22 Ca -0.22 0.08 -0.30 0.00 0.47 0.00 0.00 55.06 55.09 2a7y s HIS 22 Cb 0.01 0.05 0.10 0.00 -0.13 0.00 0.00 32.58 32.61 2a7y s HIS 22 CO 0.60 -0.39 1.33 0.00 -2.47 0.00 0.00 174.74 173.80 2a7y n ALA 23 N 1.14 -3.80 -2.73 1.58 0.00 -1.00 -3.85 120.51 111.85 2a7y n ALA 23 Ca -0.21 -0.73 -0.36 0.00 0.00 0.00 0.00 53.44 52.14 2a7y n ALA 23 Cb 0.57 0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 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 4.22 -0.43 0.00 2.12 0.48 -0.14 118.70 122.94 2a7y s GLU 24 Ca 0.32 -0.08 -0.25 0.00 0.36 0.00 0.00 54.97 55.31 2a7y s GLU 24 Cb -0.00 -3.43 0.02 0.00 0.26 0.00 0.00 34.13 30.99 2a7y s GLU 24 CO -0.02 0.27 0.88 0.42 -0.54 0.00 0.00 175.26 176.27 2a7y s ILE 25 N 0.43 4.55 0.00 -3.70 1.01 0.37 -0.50 121.20 123.36 2a7y s ILE 25 Ca 0.12 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.54 2a7y s ILE 25 Cb -0.12 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 37.98 2a7y s ILE 25 CO 0.01 -0.72 0.00 2.30 0.00 0.00 0.00 174.94 176.52 2a7y n ILE 26 N 6.23 0.00 -3.82 2.92 -6.64 -1.25 -1.65 119.36 115.15 2a7y n ILE 26 Ca 0.05 -0.16 -0.29 0.00 -1.77 0.00 0.00 62.75 60.58 2a7y n ILE 26 Cb 0.48 0.66 -0.16 0.00 -1.44 0.00 0.00 39.64 39.19 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 -1.63 1.06 -0.36 6.28 2.02 -0.98 -4.88 118.70 120.22 2a7y s GLU 27 Ca 0.00 -0.80 -0.14 0.00 0.02 0.00 0.00 54.97 54.05 2a7y s GLU 27 Cb 0.00 -2.31 -0.01 0.00 0.10 0.00 0.00 34.13 31.91 2a7y s GLU 27 CO 0.00 -0.69 0.31 0.08 0.02 0.00 0.00 175.26 174.97 2a7y s VAL 28 N 1.61 5.23 -0.50 2.63 1.01 -1.26 -2.32 120.40 126.79 2a7y s VAL 28 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 2a7y s VAL 28 Cb -0.18 -3.81 0.37 0.00 0.00 0.00 0.00 36.38 32.77 2a7y s VAL 28 CO -0.10 -0.11 1.99 0.54 0.00 0.00 0.00 175.10 177.42 2a7y n ARG 29 N 5.25 2.27 -3.72 2.72 5.12 -1.26 -4.85 116.66 122.19 2a7y n ARG 29 Ca -0.11 -2.52 -0.14 0.00 -1.93 0.00 0.00 57.85 53.15 2a7y n ARG 29 Cb 0.49 -1.99 -0.08 0.00 -1.16 0.00 0.00 32.46 29.72 2a7y n ARG 29 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2a7y s SER 30 N -0.95 -0.27 0.25 0.55 0.01 -1.26 -4.91 113.70 107.13 2a7y s SER 30 Ca 0.50 0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.98 2a7y s SER 30 Cb 0.39 0.35 0.30 0.00 0.21 0.00 0.00 66.02 67.27 2a7y s SER 30 CO 0.00 -0.49 1.59 0.00 0.41 0.00 0.00 173.24 174.76 2a7y h ALA 31 N 3.67 0.91 0.00 1.44 0.00 -1.97 -3.41 119.26 119.91 2a7y h ALA 31 Ca -0.29 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2a7y h ALA 31 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2a7y h ALA 31 CO 0.40 0.69 -0.11 -3.47 0.00 0.00 0.00 179.25 176.76 2a7y n ASP 32 N -3.91 0.59 0.00 0.00 2.03 -1.26 -5.10 116.55 108.90 2a7y n ASP 32 Ca -0.02 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2a7y n ASP 32 Cb 0.58 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 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 3.01 -0.35 3.39 0.27 0.00 -1.26 -4.02 105.19 106.22 2a7y n GLY 33 Ca -0.02 0.79 -0.15 0.00 0.00 0.00 0.00 46.02 46.65 2a7y n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a7y s SER 34 N 0.00 -0.46 0.69 1.61 0.15 -1.26 -4.87 113.70 109.57 2a7y s SER 34 Ca 0.00 0.66 -0.15 0.00 0.70 0.00 0.00 55.95 57.16 2a7y s SER 34 Cb 0.00 0.69 0.02 0.00 -1.71 0.00 0.00 66.02 65.02 2a7y s SER 34 CO 0.00 -0.37 1.14 -2.84 1.20 0.00 0.00 173.24 172.37 2a7y s PRO 35 N -0.60 2.52 0.82 5.44 0.02 -1.26 -4.64 135.00 137.30 2a7y s PRO 35 Ca -0.07 1.50 -0.06 0.00 0.02 0.00 0.00 61.00 62.39 2a7y s PRO 35 Cb -0.03 -1.91 0.16 0.00 0.02 0.00 0.00 34.50 32.75 2a7y s PRO 35 CO 0.04 -1.48 1.13 -1.25 -0.33 0.00 0.00 177.00 175.11 2a7y s PRO 36 N -4.08 1.20 0.06 5.54 0.04 -1.26 -5.06 135.00 131.44 2a7y s PRO 36 Ca 0.69 -0.94 0.07 0.00 0.04 0.00 0.00 61.00 60.86 2a7y s PRO 36 Cb -0.23 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 2a7y s PRO 36 CO 0.44 -1.86 -0.18 0.71 0.04 0.00 0.00 177.00 176.14 2a7y s TYR 37 N -3.43 1.60 -0.41 0.56 2.02 -1.06 -4.39 117.35 112.24 2a7y s TYR 37 Ca 0.70 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.86 2a7y s TYR 37 Cb -0.04 -0.93 0.02 0.00 -0.40 0.00 0.00 41.96 40.61 2a7y s TYR 37 CO 0.48 0.10 0.35 0.08 -1.57 0.00 0.00 175.55 174.99 2a7y s VAL 38 N -0.95 5.20 0.04 0.71 1.01 -0.98 -1.15 120.40 124.28 2a7y s VAL 38 Ca 0.05 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.58 2a7y s VAL 38 Cb -0.09 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 2a7y s VAL 38 CO 0.02 -0.33 -0.17 0.54 0.00 0.00 0.00 175.10 175.16 2a7y s VAL 39 N 1.86 1.38 -0.17 2.92 0.11 0.44 -2.31 120.40 124.63 2a7y s VAL 39 Ca 0.08 -1.10 -0.06 0.00 -2.93 0.00 0.00 61.98 57.97 2a7y s VAL 39 Cb -0.18 -1.23 -0.03 0.00 -1.53 0.00 0.00 36.38 33.41 2a7y s VAL 39 CO 0.11 0.10 0.02 -0.13 -3.33 0.00 0.00 175.10 171.87 2a7y s ARG 40 N -1.17 3.82 -0.95 1.54 0.52 0.34 -1.61 118.95 121.44 2a7y s ARG 40 Ca 0.04 -0.43 -0.16 0.00 -0.52 0.00 0.00 55.73 54.66 2a7y s ARG 40 Cb -0.08 -3.08 0.18 0.00 0.52 0.00 0.00 34.95 32.49 2a7y s ARG 40 CO 0.02 0.24 1.06 -1.58 0.02 0.00 0.00 175.30 175.05 2a7y s TRP 41 N 0.43 3.48 -0.00 -0.53 0.52 0.50 -0.39 118.94 122.95 2a7y s TRP 41 Ca -0.00 -1.80 -0.02 0.00 0.02 0.00 0.00 56.10 54.30 2a7y s TRP 41 Cb -0.13 -4.11 -0.01 0.00 -1.15 0.00 0.00 33.47 28.07 2a7y s TRP 41 CO 0.02 -1.27 0.53 -0.07 0.02 0.00 0.00 176.95 176.17 2a7y h LEU 42 N 9.17 -0.06 0.00 2.99 3.38 -1.96 0.13 115.31 128.96 2a7y h LEU 42 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2a7y h LEU 42 Cb 0.99 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2a7y h LEU 42 CO 1.01 -0.02 0.00 1.33 0.09 0.00 0.00 178.44 180.85 2a7y n VAL 43 N -2.36 0.35 -0.09 1.22 0.24 -1.26 -2.80 118.33 113.63 2a7y n VAL 43 Ca -0.01 0.09 -0.14 0.00 -2.04 0.00 0.00 64.34 62.24 2a7y n VAL 43 Cb 0.03 -0.71 -0.07 0.00 -1.47 0.00 0.00 33.84 31.62 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 0.00 0.00 -1.34 -0.26 -1.90 -3.49 115.58 108.59 2a7y h ASN 44 Ca 0.00 -0.31 0.00 0.00 -0.56 0.00 0.00 56.30 55.43 2a7y h ASN 44 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 2a7y h ASN 44 CO 0.00 1.13 0.00 0.61 -1.06 0.00 0.00 177.43 178.11 2a7y n GLY 45 N 1.53 0.73 3.59 2.83 0.00 0.32 -5.13 105.19 109.06 2a7y n GLY 45 Ca -0.20 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.18 0.16 -0.16 1.61 4.02 -0.37 -5.02 115.29 115.35 2a7y s HIS 46 Ca 0.00 -0.53 -0.07 0.00 1.02 0.00 0.00 55.06 55.49 2a7y s HIS 46 Cb 0.00 0.30 0.07 0.00 -1.02 0.00 0.00 32.58 31.93 2a7y s HIS 46 CO 0.00 -0.99 0.34 -2.00 1.02 0.00 0.00 174.74 173.11 2a7y s GLU 47 N -3.96 0.27 0.19 1.40 2.12 -1.26 -0.37 118.70 117.09 2a7y s GLU 47 Ca 0.17 0.81 -0.23 0.00 0.36 0.00 0.00 54.97 56.08 2a7y s GLU 47 Cb -0.01 0.07 0.07 0.00 0.26 0.00 0.00 34.13 34.51 2a7y s GLU 47 CO 0.05 -0.22 0.99 -0.08 -0.54 0.00 0.00 175.26 175.46 2a7y s THR 48 N 2.05 0.00 -0.40 -1.70 -1.32 -0.63 -4.99 115.64 108.65 2a7y s THR 48 Ca -0.04 -0.65 -0.14 0.00 -1.21 0.00 0.00 61.69 59.66 2a7y s THR 48 Cb -0.11 -2.59 0.02 0.00 -1.51 0.00 0.00 72.50 68.31 2a7y s THR 48 CO -0.11 0.00 0.27 -0.89 -2.21 0.00 0.00 174.62 171.68 2a7y s THR 49 N -2.54 5.03 0.08 5.08 2.01 -1.26 -0.42 115.64 123.61 2a7y s THR 49 Ca 0.18 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.50 2a7y s THR 49 Cb -0.02 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2a7y s THR 49 CO 0.05 -0.28 0.04 0.54 -0.69 0.00 0.00 174.62 174.29 2a7y s VAL 50 N 1.64 4.31 -0.44 3.82 0.11 -0.30 -4.92 120.40 124.62 2a7y s VAL 50 Ca 0.04 -0.85 -0.10 0.00 -2.93 0.00 0.00 61.98 58.15 2a7y s VAL 50 Cb -0.19 -3.06 0.09 0.00 -1.53 0.00 0.00 36.38 31.69 2a7y s VAL 50 CO 0.09 0.13 0.30 -0.31 -3.33 0.00 0.00 175.10 171.99 2a7y s TYR 51 N -1.34 3.36 0.61 1.54 2.02 -1.26 -2.56 117.35 119.71 2a7y s TYR 51 Ca 0.27 -1.62 -0.16 0.00 -0.37 0.00 0.00 57.07 55.19 2a7y s TYR 51 Cb -0.12 -3.18 -0.03 0.00 -0.40 0.00 0.00 41.96 38.23 2a7y s TYR 51 CO 0.20 -0.90 1.08 -1.25 -1.57 0.00 0.00 175.55 173.11 2a7y s PRO 52 N 1.42 3.17 0.00 -1.71 0.04 -1.26 -5.02 135.00 131.64 2a7y s PRO 52 Ca 0.04 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2a7y s PRO 52 Cb -0.24 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2a7y s PRO 52 CO 0.01 -0.94 0.70 0.41 0.04 0.00 0.00 177.00 177.22 2a7y n GLY 53 N -0.74 -2.80 3.58 0.56 0.00 -1.26 -5.00 105.19 99.53 2a7y n GLY 53 Ca 0.09 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.06 -0.25 -1.08 1.61 0.15 -1.26 -5.02 113.70 105.79 2a7y s SER 54 Ca 0.00 -0.08 -0.12 0.00 0.70 0.00 0.00 55.95 56.44 2a7y s SER 54 Cb 0.00 0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 64.60 2a7y s SER 54 CO 0.00 -0.55 0.86 0.47 1.20 0.00 0.00 173.24 175.22 2a7y n ASP 55 N -0.27 -6.11 -4.70 5.45 8.00 -1.26 -3.07 116.55 114.59 2a7y n ASP 55 Ca -0.06 -0.83 -0.42 0.00 0.71 0.00 0.00 54.79 54.19 2a7y n ASP 55 Cb 0.61 -4.41 -0.03 0.00 -0.02 0.00 0.00 41.12 37.27 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 -3.41 3.35 0.24 2.24 0.00 -1.26 -0.48 121.76 122.43 2a7y s ALA 56 Ca 0.46 0.29 0.11 0.00 0.00 0.00 0.00 51.96 52.83 2a7y s ALA 56 Cb -0.11 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 2a7y s ALA 56 CO 0.79 -0.41 -0.21 0.08 0.00 0.00 0.00 175.76 176.01 2a7y s VAL 57 N 1.52 2.38 -0.33 0.00 1.01 0.53 -4.61 120.40 120.89 2a7y s VAL 57 Ca 0.45 -2.24 -0.12 0.00 0.00 0.00 0.00 61.98 60.07 2a7y s VAL 57 Cb -0.19 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2a7y s VAL 57 CO 0.19 -0.29 0.23 0.68 0.00 0.00 0.00 175.10 175.91 2a7y s VAL 58 N -2.18 5.22 0.56 2.92 -7.23 -1.26 -1.35 120.40 117.08 2a7y s VAL 58 Ca 0.26 -0.20 0.09 0.00 -1.81 0.00 0.00 61.98 60.31 2a7y s VAL 58 Cb -0.06 -3.66 0.07 0.00 0.56 0.00 0.00 36.38 33.29 2a7y s VAL 58 CO 0.12 0.02 0.71 0.68 -0.31 0.00 0.00 175.10 176.32 2a7y s VAL 59 N 1.72 2.07 0.00 1.32 -7.23 0.45 -4.84 120.40 113.89 2a7y s VAL 59 Ca 0.06 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 2a7y s VAL 59 Cb -0.17 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.60 2a7y s VAL 59 CO 0.10 0.00 0.00 0.35 -0.31 0.00 0.00 175.10 175.24 2a7y n THR 60 N -2.13 0.00 -0.21 5.32 -2.24 -1.26 -0.37 114.28 113.38 2a7y n THR 60 Ca 0.12 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.92 2a7y n THR 60 Cb 0.62 -0.03 0.12 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.96 0.73 -0.35 6.98 0.00 -1.98 -0.85 119.26 124.75 2a7y h ALA 61 Ca 0.00 0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2a7y h ALA 61 Cb 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2a7y h ALA 61 CO 0.00 -0.35 -0.35 1.79 0.00 0.00 0.00 179.25 180.34 2a7y h THR 62 N 0.20 1.28 0.00 0.00 1.35 -2.02 -1.04 112.91 112.68 2a7y h THR 62 Ca 0.34 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2a7y h THR 62 Cb 0.55 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2a7y h THR 62 CO -0.48 0.50 0.00 -0.33 -0.25 0.00 0.00 175.52 174.95 2a7y h GLU 63 N 0.66 0.00 -0.17 4.72 4.39 -1.88 -3.24 114.58 119.05 2a7y h GLU 63 Ca 0.06 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.63 2a7y h GLU 63 Cb 0.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 2a7y h GLU 63 CO 0.08 0.00 -0.40 1.25 -1.16 0.00 0.00 179.01 178.78 2a7y h HIS 64 N 0.00 0.73 0.00 4.33 -0.00 0.18 -3.22 115.15 117.18 2a7y h HIS 64 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 2a7y h HIS 64 Cb 0.63 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 2a7y h HIS 64 CO 0.00 1.03 0.00 0.00 -0.00 0.00 0.00 177.93 178.96 2a7y n ALA 65 N -2.52 -0.49 0.14 5.26 0.00 -1.03 -0.42 120.51 121.45 2a7y n ALA 65 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.40 2a7y n ALA 65 Cb 0.54 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.37 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 0.17 0.00 0.00 -0.00 -1.77 -1.96 114.58 111.02 2a7y h GLU 66 Ca 0.00 -0.05 -0.05 0.00 -0.00 0.00 0.00 59.36 59.27 2a7y h GLU 66 Cb 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 28.72 2a7y h GLU 66 CO 0.00 0.37 -0.31 0.00 -0.00 0.00 0.00 179.01 179.08 2a7y h ALA 67 N 1.64 0.83 -0.04 1.06 0.00 -1.57 -2.69 119.26 118.48 2a7y h ALA 67 Ca 0.03 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2a7y h ALA 67 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2a7y h ALA 67 CO 0.03 0.28 -0.27 1.49 0.00 0.00 0.00 179.25 180.78 2a7y h GLU 68 N 0.00 0.26 0.00 0.00 4.81 0.04 0.72 114.58 120.41 2a7y h GLU 68 Ca -0.01 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2a7y h GLU 68 Cb 1.17 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2a7y h GLU 68 CO 0.03 0.88 0.00 1.17 -0.73 0.00 0.00 179.01 180.36 2a7y n LYS 69 N -4.48 0.00 0.10 1.92 4.81 -1.07 -1.99 118.16 117.45 2a7y n LYS 69 Ca -0.09 0.51 -0.13 0.00 -0.87 0.00 0.00 58.31 57.73 2a7y n LYS 69 Cb 0.48 -1.43 -0.08 0.00 0.02 0.00 0.00 35.03 34.02 2a7y n LYS 69 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2a7y h ARG 70 N 0.00 -0.23 0.00 1.64 3.08 -1.60 -2.76 114.38 114.50 2a7y h ARG 70 Ca 0.00 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2a7y h ARG 70 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2a7y h ARG 70 CO 0.00 0.08 -0.50 0.00 -1.07 0.00 0.00 179.97 178.48 2a7y h ALA 71 N 0.18 0.75 0.03 0.04 0.00 -1.03 -2.01 119.26 117.22 2a7y h ALA 71 Ca -0.02 -0.32 -0.28 0.00 0.00 0.00 0.00 54.91 54.29 2a7y h ALA 71 Cb 0.42 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.23 2a7y h ALA 71 CO 0.04 0.41 -1.10 0.00 0.00 0.00 0.00 179.25 178.60 2a7y h ALA 72 N 1.69 0.09 -0.07 0.00 0.00 -0.71 0.15 119.26 120.42 2a7y h ALA 72 Ca -0.02 -0.72 0.02 0.00 0.00 0.00 0.00 54.91 54.19 2a7y h ALA 72 Cb 1.25 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2a7y h ALA 72 CO 0.04 0.69 0.05 0.00 0.00 0.00 0.00 179.25 180.03 2a7y h ALA 73 N 0.37 2.00 0.22 0.00 0.00 -1.38 0.42 119.26 120.89 2a7y h ALA 73 Ca -0.15 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.44 2a7y h ALA 73 Cb 1.76 0.01 0.03 0.00 0.00 0.00 0.00 17.79 19.58 2a7y h ALA 73 CO 0.21 -0.09 -1.51 -0.09 0.00 0.00 0.00 179.25 177.78 2a7y h ARG 74 N 0.00 0.46 0.33 0.00 2.43 -1.26 -3.16 114.38 113.18 2a7y h ARG 74 Ca 0.03 -0.78 -0.01 0.00 -0.81 0.00 0.00 59.98 58.41 2a7y h ARG 74 Cb 0.13 0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2a7y h ARG 74 CO -0.00 1.37 -0.41 0.00 -1.51 0.00 0.00 179.97 179.42 2a7y h ALA 75 N 0.12 -1.04 -0.83 2.80 0.00 0.05 -3.10 119.26 117.25 2a7y h ALA 75 Ca -0.28 -0.14 -0.67 0.00 0.00 0.00 0.00 54.91 53.82 2a7y h ALA 75 Cb 2.08 0.68 -0.23 0.00 0.00 0.00 0.00 17.79 20.32 2a7y h ALA 75 CO 0.22 -1.08 0.85 0.41 0.00 0.00 0.00 179.25 179.65 2a7y n GLY 76 N -1.44 5.11 0.00 0.00 0.00 0.07 -4.59 105.19 104.34 2a7y n GLY 76 Ca -0.09 -2.26 0.11 0.00 0.00 0.00 0.00 46.02 43.78 2a7y n GLY 76 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2a7y n HIS 77 N 0.04 0.00 -1.62 1.61 -0.00 -1.17 -3.79 115.22 110.29 2a7y n HIS 77 Ca 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 58.23 2a7y n HIS 77 Cb 0.35 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.99 30.02 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 -1.31 1.23 -3.75 1.59 0.00 -1.26 -5.09 120.51 111.92 2a7y n ALA 78 Ca 0.10 -0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 2a7y n ALA 78 Cb 0.18 -0.07 -0.14 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 2.02 0.00 0.00 0.00 -1.25 -5.24 121.76 117.30 2a7y s ALA 79 Ca 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 51.96 49.68 2a7y s ALA 79 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.31 2a7y s ALA 79 CO 0.00 -1.90 0.00 2.41 0.00 0.00 0.00 175.76 176.27