#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v31 s SER 2 N 0.00 6.15 -0.24 1.61 0.15 -1.26 -4.83 113.70 115.28 1v31 s SER 2 Ca 0.00 -1.75 -0.05 0.00 0.70 0.00 0.00 55.95 54.85 1v31 s SER 2 Cb 0.00 -2.58 0.13 0.00 -1.71 0.00 0.00 66.02 61.86 1v31 s SER 2 CO 0.00 -1.86 0.46 -0.94 1.20 0.00 0.00 173.24 172.11 1v31 s SER 3 N 5.43 -0.39 0.00 5.45 1.04 -1.26 -5.15 113.70 118.82 1v31 s SER 3 Ca 0.57 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.79 1v31 s SER 3 Cb 0.00 1.53 0.00 0.00 0.10 0.00 0.00 66.02 67.66 1v31 s SER 3 CO 0.02 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1v31 n GLY 4 N 5.40 1.70 2.77 7.32 0.00 -1.26 -5.10 105.19 116.01 1v31 n GLY 4 Ca -0.06 -1.59 -0.26 0.00 0.00 0.00 0.00 46.02 44.11 1v31 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v31 s SER 5 N -1.00 2.56 -0.94 1.61 0.01 -1.26 -5.06 113.70 109.61 1v31 s SER 5 Ca 0.00 -0.61 -0.17 0.00 1.31 0.00 0.00 55.95 56.48 1v31 s SER 5 Cb 0.00 -0.61 0.16 0.00 0.21 0.00 0.00 66.02 65.78 1v31 s SER 5 CO 0.00 -0.26 1.09 -0.44 0.41 0.00 0.00 173.24 174.04 1v31 s SER 6 N 1.85 6.72 1.36 2.44 0.01 -1.26 -4.91 113.70 119.91 1v31 s SER 6 Ca 0.01 -2.31 0.00 0.00 1.31 0.00 0.00 55.95 54.96 1v31 s SER 6 Cb -0.16 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1v31 s SER 6 CO -0.07 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.27 1v31 n GLY 7 N 4.99 2.92 3.61 3.44 0.00 -1.26 -4.82 105.19 114.07 1v31 n GLY 7 Ca 0.23 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1v31 n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1v31 n VAL 8 N 0.00 2.11 -1.53 1.61 0.24 -1.26 -4.98 118.33 114.52 1v31 n VAL 8 Ca 0.00 -0.29 -0.29 0.00 -2.04 0.00 0.00 64.34 61.72 1v31 n VAL 8 Cb 0.00 -1.06 0.16 0.00 -1.47 0.00 0.00 33.84 31.47 1v31 n VAL 8 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1v31 s PRO 9 N -3.63 0.73 -0.18 7.34 0.04 -1.26 -5.00 135.00 133.03 1v31 s PRO 9 Ca 0.71 0.14 -0.01 0.00 0.04 0.00 0.00 61.00 61.87 1v31 s PRO 9 Cb -0.31 -1.81 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 1v31 s PRO 9 CO 0.53 -2.44 -0.11 -2.00 0.04 0.00 0.00 177.00 173.01 1v31 s GLU 10 N -5.39 3.27 0.20 4.56 2.56 -1.26 -5.08 118.70 117.56 1v31 s GLU 10 Ca 0.66 -0.70 -0.06 0.00 0.00 0.00 0.00 54.97 54.88 1v31 s GLU 10 Cb -0.12 -2.78 -0.06 0.00 2.00 0.00 0.00 34.13 33.17 1v31 s GLU 10 CO 0.54 -0.09 0.45 0.15 -0.56 0.00 0.00 175.26 175.75 1v31 s LYS 11 N 1.11 3.66 -0.03 4.30 1.02 -1.26 -3.84 119.74 124.70 1v31 s LYS 11 Ca 0.01 0.00 0.02 0.00 0.02 0.00 0.00 55.97 56.02 1v31 s LYS 11 Cb -0.14 -2.76 0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1v31 s LYS 11 CO -0.03 0.38 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.65 1v31 s PHE 12 N -1.79 0.80 0.17 3.18 0.40 -0.95 -4.42 117.98 115.36 1v31 s PHE 12 Ca 0.43 -0.20 -0.31 0.00 -0.60 0.00 0.00 56.93 56.25 1v31 s PHE 12 Cb -0.12 -0.60 -0.09 0.00 0.51 0.00 0.00 43.02 42.72 1v31 s PHE 12 CO 0.25 -0.10 1.47 0.21 0.70 0.00 0.00 175.22 177.74 1v31 s LYS 13 N 0.31 4.27 0.87 0.44 2.20 0.30 -2.93 119.74 125.22 1v31 s LYS 13 Ca -0.04 2.24 -0.12 0.00 -0.36 0.00 0.00 55.97 57.69 1v31 s LYS 13 Cb -0.09 -3.18 0.12 0.00 -1.51 0.00 0.00 37.83 33.17 1v31 s LYS 13 CO 0.00 -0.49 1.13 -0.51 -0.36 0.00 0.00 175.35 175.12 1v31 s LEU 14 N 0.72 2.20 0.61 5.43 1.02 -0.10 -2.72 118.68 125.83 1v31 s LEU 14 Ca 0.65 1.05 -0.02 0.00 0.02 0.00 0.00 54.13 55.83 1v31 s LEU 14 Cb -0.41 -3.46 0.04 0.00 0.02 0.00 0.00 46.19 42.38 1v31 s LEU 14 CO 0.34 -2.36 0.87 -0.44 0.02 0.00 0.00 176.35 174.78 1v31 s SER 15 N -4.02 5.15 0.51 2.29 0.01 -1.26 -4.77 113.70 111.61 1v31 s SER 15 Ca 0.63 0.23 0.17 0.00 1.31 0.00 0.00 55.95 58.29 1v31 s SER 15 Cb -0.14 -1.05 1.25 0.00 0.21 0.00 0.00 66.02 66.29 1v31 s SER 15 CO 0.53 -1.29 2.11 0.74 0.41 0.00 0.00 173.24 175.74 1v31 h THR 16 N -0.19 0.96 0.08 1.44 2.02 -1.97 1.36 112.91 116.61 1v31 h THR 16 Ca -0.43 -0.02 -0.29 0.00 0.77 0.00 0.00 66.41 66.44 1v31 h THR 16 Cb 1.30 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 1v31 h THR 16 CO 0.56 0.01 -1.53 0.00 0.37 0.00 0.00 175.52 174.93 1v31 h ALA 17 N 1.92 0.28 -0.36 6.16 0.00 -1.93 -3.31 119.26 122.02 1v31 h ALA 17 Ca 0.07 -1.21 -0.03 0.00 0.00 0.00 0.00 54.91 53.74 1v31 h ALA 17 Cb 0.20 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1v31 h ALA 17 CO -0.01 0.93 0.09 1.25 0.00 0.00 0.00 179.25 181.52 1v31 h LEU 18 N -0.39 0.48 -1.67 0.00 5.85 -1.76 0.44 115.31 118.26 1v31 h LEU 18 Ca -0.35 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1v31 h LEU 18 Cb 1.71 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.61 1v31 h LEU 18 CO -0.01 0.49 0.00 0.24 -0.34 0.00 0.00 178.44 178.82 1v31 h MET 19 N 0.52 0.00 0.00 1.25 2.86 0.17 -1.82 114.93 117.91 1v31 h MET 19 Ca 0.12 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1v31 h MET 19 Cb 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1v31 h MET 19 CO -0.00 0.00 -1.75 -3.47 1.06 0.00 0.00 176.91 172.74 1v31 n ASP 20 N -2.80 1.28 0.11 1.22 2.03 -0.09 -2.10 116.55 116.20 1v31 n ASP 20 Ca -0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 1v31 n ASP 20 Cb 0.20 1.72 0.17 0.00 -0.72 0.00 0.00 41.12 42.49 1v31 n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1v31 h VAL 21 N 0.00 1.40 0.00 5.18 2.07 0.57 -3.40 116.25 122.07 1v31 h VAL 21 Ca -0.01 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.56 1v31 h VAL 21 Cb 0.78 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1v31 h VAL 21 CO 0.00 0.57 -0.01 0.18 0.02 0.00 0.00 177.57 178.33 1v31 n LEU 22 N -3.87 1.06 0.00 2.57 4.77 -0.78 -5.00 117.00 115.74 1v31 n LEU 22 Ca -0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1v31 n LEU 22 Cb 0.59 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1v31 n LEU 22 CO 0.43 -0.74 0.00 0.61 -1.33 0.00 0.00 177.39 176.36 1v31 n GLY 23 N 3.49 1.44 3.70 -0.72 0.00 -0.89 -5.07 105.19 107.13 1v31 n GLY 23 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1v31 n GLY 23 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1v31 s ILE 24 N -2.00 1.54 -0.03 -0.61 -4.36 -1.24 -5.03 121.20 109.48 1v31 s ILE 24 Ca 0.00 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1v31 s ILE 24 Cb 0.00 -2.54 -0.03 0.00 1.25 0.00 0.00 42.46 41.14 1v31 s ILE 24 CO 0.00 0.00 -0.01 1.21 0.24 0.00 0.00 174.94 176.38 1v31 n GLU 25 N -1.13 1.66 -3.15 0.37 4.07 -1.26 -4.50 120.64 116.71 1v31 n GLU 25 Ca -0.13 0.01 0.05 0.00 -0.06 0.00 0.00 57.16 57.03 1v31 n GLU 25 Cb 0.67 -1.06 -0.01 0.00 -0.06 0.00 0.00 31.44 30.98 1v31 n GLU 25 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1v31 s VAL 26 N -2.06 -0.69 0.37 6.31 0.11 -1.26 -0.92 120.40 122.25 1v31 s VAL 26 Ca -0.03 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.11 1v31 s VAL 26 Cb 0.01 -0.82 -0.06 0.00 -1.53 0.00 0.00 36.38 33.98 1v31 s VAL 26 CO 0.09 0.00 0.00 -0.70 -3.33 0.00 0.00 175.10 171.16 1v31 s GLU 27 N 2.89 1.99 0.67 1.54 2.56 -1.15 -4.72 118.70 122.48 1v31 s GLU 27 Ca 0.15 -1.90 -0.14 0.00 0.00 0.00 0.00 54.97 53.08 1v31 s GLU 27 Cb -0.09 -1.80 0.00 0.00 2.00 0.00 0.00 34.13 34.24 1v31 s GLU 27 CO -0.21 0.06 1.09 0.95 -0.56 0.00 0.00 175.26 176.59 1v31 s THR 28 N -2.60 3.43 0.23 -1.70 -4.23 -1.26 -2.25 115.64 107.26 1v31 s THR 28 Ca 0.35 0.61 -0.07 0.00 -1.18 0.00 0.00 61.69 61.39 1v31 s THR 28 Cb 0.03 -3.14 0.19 0.00 1.34 0.00 0.00 72.50 70.93 1v31 s THR 28 CO 0.19 -0.47 1.70 -0.09 -0.54 0.00 0.00 174.62 175.41 1v31 h ARG 29 N -0.18 0.29 0.00 3.99 2.43 -1.97 1.72 114.38 120.65 1v31 h ARG 29 Ca -0.46 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1v31 h ARG 29 Cb 1.24 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1v31 h ARG 29 CO 0.54 0.19 0.00 -0.35 -1.51 0.00 0.00 179.97 178.84 1v31 n PRO 30 N -5.12 0.11 -0.10 0.20 -0.04 -1.26 -2.20 135.00 126.58 1v31 n PRO 30 Ca 0.11 0.22 -0.20 0.00 -0.04 0.00 0.00 63.50 63.59 1v31 n PRO 30 Cb 0.38 -1.66 -0.09 0.00 -0.04 0.00 0.00 33.50 32.09 1v31 n PRO 30 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1v31 n ARG 31 N -1.85 0.55 0.22 0.54 5.12 0.22 -3.49 116.66 117.97 1v31 n ARG 31 Ca 0.05 0.47 -0.16 0.00 -1.93 0.00 0.00 57.85 56.28 1v31 n ARG 31 Cb 0.29 -1.66 -0.08 0.00 -1.16 0.00 0.00 32.46 29.85 1v31 n ARG 31 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1v31 h ILE 32 N -1.00 0.19 -0.18 0.55 2.04 0.22 0.75 117.51 120.08 1v31 h ILE 32 Ca -0.34 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.56 1v31 h ILE 32 Cb 1.20 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.41 1v31 h ILE 32 CO -0.21 0.00 -0.49 0.40 0.00 0.00 0.00 178.15 177.85 1v31 h ILE 33 N -0.78 0.06 -0.44 -0.67 2.04 -1.64 -0.40 117.51 115.68 1v31 h ILE 33 Ca -0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.93 1v31 h ILE 33 Cb 0.71 0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 1v31 h ILE 33 CO -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 177.95 1v31 h ALA 34 N -0.06 0.30 -1.39 1.87 0.00 -1.52 0.55 119.26 119.01 1v31 h ALA 34 Ca 0.06 0.17 0.41 0.00 0.00 0.00 0.00 54.91 55.55 1v31 h ALA 34 Cb 0.65 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 1v31 h ALA 34 CO -0.45 -0.44 0.97 0.00 0.00 0.00 0.00 179.25 179.32 1v31 h ALA 35 N 1.44 3.08 0.19 0.00 0.00 0.22 1.72 119.26 125.91 1v31 h ALA 35 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.80 1v31 h ALA 35 Cb 0.33 0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.25 1v31 h ALA 35 CO -0.45 -1.56 -1.57 0.82 0.00 0.00 0.00 179.25 176.49 1v31 h ILE 36 N 0.08 1.15 -0.01 0.00 2.04 0.93 -1.87 117.51 119.83 1v31 h ILE 36 Ca 0.72 -2.69 -0.00 0.00 1.00 0.00 0.00 64.86 63.89 1v31 h ILE 36 Cb 2.60 2.87 -0.00 0.00 -0.74 0.00 0.00 36.82 41.55 1v31 h ILE 36 CO -0.15 0.84 0.01 -0.50 0.00 0.00 0.00 178.15 178.34 1v31 h TRP 37 N 0.11 0.01 0.52 1.37 4.06 0.42 0.33 115.95 122.78 1v31 h TRP 37 Ca -0.27 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.65 1v31 h TRP 37 Cb 2.09 -0.00 0.01 0.00 -1.00 0.00 0.00 29.16 30.26 1v31 h TRP 37 CO 0.10 0.06 -0.25 1.25 -3.56 0.00 0.00 178.44 176.03 1v31 h HIS 38 N -0.04 -0.65 -0.33 0.49 -0.00 0.67 -2.76 115.15 112.53 1v31 h HIS 38 Ca 0.00 -0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.43 1v31 h HIS 38 Cb 0.05 0.22 -0.08 0.00 -0.00 0.00 0.00 27.41 27.59 1v31 h HIS 38 CO -0.06 -0.36 -0.36 -0.92 -0.00 0.00 0.00 177.93 176.23 1v31 h TYR 39 N -0.82 -1.01 -0.87 5.26 3.20 -1.23 0.34 116.97 121.85 1v31 h TYR 39 Ca -0.07 0.06 0.15 0.00 3.14 0.00 0.00 58.73 62.01 1v31 h TYR 39 Cb 0.59 0.49 -0.16 0.00 1.54 0.00 0.00 36.73 39.19 1v31 h TYR 39 CO -0.02 -0.41 -0.31 0.28 -1.64 0.00 0.00 178.16 176.07 1v31 h VAL 40 N -0.32 0.08 -0.51 1.81 2.07 -0.29 1.48 116.25 120.58 1v31 h VAL 40 Ca 0.14 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.61 1v31 h VAL 40 Cb 0.56 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1v31 h VAL 40 CO -0.50 0.00 0.08 0.11 0.02 0.00 0.00 177.57 177.28 1v31 h LYS 41 N -0.03 0.80 -0.50 1.57 1.57 -0.81 1.52 116.57 120.68 1v31 h LYS 41 Ca 0.36 -0.18 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 1v31 h LYS 41 Cb 0.61 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.72 1v31 h LYS 41 CO -0.90 0.75 -0.56 0.00 -0.57 0.00 0.00 179.45 178.18 1v31 h ALA 42 N 1.33 -0.74 -0.23 3.86 0.00 0.59 0.97 119.26 125.04 1v31 h ALA 42 Ca 0.16 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1v31 h ALA 42 Cb 0.35 1.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1v31 h ALA 42 CO 0.01 -1.03 0.05 0.54 0.00 0.00 0.00 179.25 178.82 1v31 n ARG 43 N -5.30 2.14 -4.03 0.00 3.00 -0.70 -4.86 116.66 106.91 1v31 n ARG 43 Ca -0.03 -1.06 -0.27 0.00 -0.01 0.00 0.00 57.85 56.48 1v31 n ARG 43 Cb 0.32 -1.69 -0.04 0.00 0.00 0.00 0.00 32.46 31.06 1v31 n ARG 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1v31 n LYS 44 N 0.16 -2.57 0.13 5.56 5.02 0.34 -4.82 118.16 121.97 1v31 n LYS 44 Ca 0.12 0.32 0.12 0.00 -2.02 0.00 0.00 58.31 56.85 1v31 n LYS 44 Cb 0.64 -4.23 0.15 0.00 -0.02 0.00 0.00 35.03 31.57 1v31 n LYS 44 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1v31 h LEU 45 N -1.85 0.00 -9.37 -0.35 3.38 0.20 -3.47 115.31 103.85 1v31 h LEU 45 Ca -0.64 -0.04 -0.62 0.00 0.09 0.00 0.00 57.88 56.66 1v31 h LEU 45 Cb 1.38 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.24 1v31 h LEU 45 CO 0.64 0.02 0.02 1.67 0.09 0.00 0.00 178.44 180.88 1v31 n GLN 46 N -2.65 1.08 -3.23 1.13 7.27 -1.24 0.19 117.38 119.93 1v31 n GLN 46 Ca 0.03 0.38 -0.39 0.00 0.07 0.00 0.00 57.00 57.09 1v31 n GLN 46 Cb 0.50 -1.69 -0.06 0.00 2.41 0.00 0.00 30.24 31.40 1v31 n GLN 46 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1v31 s ASN 47 N -0.57 6.65 0.29 1.69 -0.87 -1.21 -4.63 114.94 116.29 1v31 s ASN 47 Ca 0.61 0.78 0.14 0.00 -1.57 0.00 0.00 52.86 52.82 1v31 s ASN 47 Cb -0.76 -2.31 0.34 0.00 -0.02 0.00 0.00 41.25 38.50 1v31 s ASN 47 CO 0.58 -0.15 1.57 1.55 -2.57 0.00 0.00 177.10 178.09 1v31 h PRO 48 N 7.22 0.00 0.16 -0.60 0.13 -1.91 -3.29 132.00 133.72 1v31 h PRO 48 Ca -0.36 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 1v31 h PRO 48 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1v31 h PRO 48 CO 0.75 0.56 -0.08 -0.91 -0.23 0.00 0.00 178.00 178.10 1v31 h ASN 49 N 0.00 -0.19 -3.56 1.44 4.21 -1.97 -3.42 115.58 112.08 1v31 h ASN 49 Ca -0.01 -0.32 -0.67 0.00 1.21 0.00 0.00 56.30 56.51 1v31 h ASN 49 Cb 1.18 0.05 -0.31 0.00 -1.12 0.00 0.00 38.32 38.12 1v31 h ASN 49 CO 0.07 0.38 -0.73 -1.81 -1.29 0.00 0.00 177.43 174.05 1v31 s ASP 50 N -5.46 4.49 0.00 5.81 1.01 -1.24 -4.96 116.67 116.32 1v31 s ASP 50 Ca -0.11 -0.92 0.22 0.00 0.71 0.00 0.00 52.55 52.45 1v31 s ASP 50 Cb 0.00 -1.69 0.95 0.00 1.01 0.00 0.00 42.92 43.19 1v31 s ASP 50 CO 0.41 -0.16 1.70 -0.81 0.21 0.00 0.00 175.17 176.53 1v31 n PRO 51 N 4.68 0.03 0.07 8.23 -0.04 -1.25 -2.26 135.00 144.46 1v31 n PRO 51 Ca -0.16 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.54 1v31 n PRO 51 Cb 0.46 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 1v31 n PRO 51 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v31 n SER 52 N -1.48 0.69 -4.89 3.54 2.88 -1.26 -4.87 113.62 108.22 1v31 n SER 52 Ca 0.06 0.16 -0.26 0.00 -1.33 0.00 0.00 58.87 57.50 1v31 n SER 52 Cb 0.25 0.64 -0.01 0.00 -0.75 0.00 0.00 64.21 64.33 1v31 n SER 52 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1v31 s PHE 53 N -3.32 1.73 -0.09 0.66 0.08 -0.96 0.17 117.98 116.26 1v31 s PHE 53 Ca 0.00 -0.81 -0.28 0.00 0.12 0.00 0.00 56.93 55.96 1v31 s PHE 53 Cb 0.11 -1.92 0.07 0.00 -0.57 0.00 0.00 43.02 40.71 1v31 s PHE 53 CO 0.80 -0.42 0.65 -0.59 -0.10 0.00 0.00 175.22 175.56 1v31 s PHE 54 N -2.75 -0.64 0.78 0.36 -0.12 -0.22 -3.29 117.98 112.10 1v31 s PHE 54 Ca 0.35 1.20 -0.12 0.00 -0.05 0.00 0.00 56.93 58.30 1v31 s PHE 54 Cb -0.02 0.36 0.06 0.00 -0.63 0.00 0.00 43.02 42.79 1v31 s PHE 54 CO 0.21 -0.54 1.13 -0.80 -0.05 0.00 0.00 175.22 175.17 1v31 s ASN 55 N -0.90 4.14 0.35 1.98 0.01 0.50 -2.49 114.94 118.53 1v31 s ASN 55 Ca -0.09 2.07 0.07 0.00 -0.71 0.00 0.00 52.86 54.20 1v31 s ASN 55 Cb -0.01 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.07 1v31 s ASN 55 CO 0.08 -2.29 0.38 0.00 -1.51 0.00 0.00 177.10 173.76 1v31 n ASP 57 N -1.52 1.06 0.00 0.00 5.75 -1.26 -4.96 116.55 115.62 1v31 n ASP 57 Ca 0.00 -1.93 0.13 0.00 -0.01 0.00 0.00 54.79 52.98 1v31 n ASP 57 Cb 0.59 0.44 0.78 0.00 -1.03 0.00 0.00 41.12 41.91 1v31 n ASP 57 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1v31 n ALA 58 N -2.17 2.63 -0.03 2.12 0.00 -1.26 -1.70 120.51 120.11 1v31 n ALA 58 Ca -0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.16 1v31 n ALA 58 Cb 0.26 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 1v31 n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v31 n ALA 59 N -0.92 2.23 0.20 0.00 0.00 -1.26 -4.44 120.51 116.32 1v31 n ALA 59 Ca 0.20 -0.22 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1v31 n ALA 59 Cb 0.09 0.40 0.42 0.00 0.00 0.00 0.00 19.45 20.36 1v31 n ALA 59 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1v31 h LEU 60 N -0.09 0.00 0.53 0.00 3.38 -1.92 -3.06 115.31 114.16 1v31 h LEU 60 Ca -0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1v31 h LEU 60 Cb 1.15 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.91 1v31 h LEU 60 CO -0.05 0.32 -0.26 1.56 0.09 0.00 0.00 178.44 180.10 1v31 h GLN 61 N 0.00 -0.69 -1.45 1.13 4.20 -1.59 -0.77 115.11 115.94 1v31 h GLN 61 Ca -0.00 0.05 0.42 0.00 0.06 0.00 0.00 58.65 59.17 1v31 h GLN 61 Cb 0.59 0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 1v31 h GLN 61 CO 0.04 -0.39 1.14 0.87 -0.67 0.00 0.00 178.83 179.82 1v31 h LYS 62 N -0.94 0.00 0.00 1.46 1.79 -1.75 1.46 116.57 118.59 1v31 h LYS 62 Ca -0.07 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1v31 h LYS 62 Cb 0.62 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1v31 h LYS 62 CO 0.12 0.00 -0.00 0.28 -1.08 0.00 0.00 179.45 178.77 1v31 h VAL 63 N 0.00 0.00 0.00 0.50 2.07 -1.43 -3.44 116.25 113.95 1v31 h VAL 63 Ca 0.69 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 68.18 1v31 h VAL 63 Cb 2.95 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1v31 h VAL 63 CO -0.01 0.00 -0.10 -0.26 0.02 0.00 0.00 177.57 177.22 1v31 h PHE 64 N -0.03 0.00 0.00 1.57 0.04 0.34 -3.49 116.94 115.37 1v31 h PHE 64 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1v31 h PHE 64 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1v31 h PHE 64 CO 0.01 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.13 1v31 n GLY 65 N 1.79 1.03 3.75 -1.45 0.00 0.49 -5.01 105.19 105.80 1v31 n GLY 65 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1v31 n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v31 s GLU 66 N -0.82 2.80 0.24 1.61 2.02 -1.26 -5.01 118.70 118.28 1v31 s GLU 66 Ca 0.00 -0.72 -0.04 0.00 0.02 0.00 0.00 54.97 54.23 1v31 s GLU 66 Cb 0.00 -2.68 0.43 0.00 0.10 0.00 0.00 34.13 31.98 1v31 s GLU 66 CO 0.00 0.56 1.77 1.05 0.02 0.00 0.00 175.26 178.66 1v31 h GLU 67 N 3.36 0.61 -3.50 1.61 4.11 -1.98 -3.42 114.58 115.36 1v31 h GLU 67 Ca -0.47 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 58.85 1v31 h GLU 67 Cb 1.16 -0.14 -0.14 0.00 0.50 0.00 0.00 28.75 30.13 1v31 h GLU 67 CO 0.64 0.40 -0.21 -1.59 0.07 0.00 0.00 179.01 178.32 1v31 s LYS 68 N -6.02 0.93 0.17 1.06 -2.85 -1.26 -0.38 119.74 111.39 1v31 s LYS 68 Ca -0.12 -0.74 -0.01 0.00 -1.00 0.00 0.00 55.97 54.10 1v31 s LYS 68 Cb 0.20 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.33 1v31 s LYS 68 CO 0.77 -0.33 0.10 -0.51 0.10 0.00 0.00 175.35 175.48 1v31 s LEU 69 N -2.65 1.42 0.07 2.77 1.43 -1.04 -4.93 118.68 115.76 1v31 s LEU 69 Ca 0.02 -1.31 -0.22 0.00 -1.03 0.00 0.00 54.13 51.59 1v31 s LEU 69 Cb 0.02 0.34 -0.06 0.00 0.03 0.00 0.00 46.19 46.52 1v31 s LEU 69 CO -0.10 -0.79 0.65 -0.54 0.23 0.00 0.00 176.35 175.80 1v31 s LYS 70 N -4.11 4.35 0.45 1.70 1.02 -1.26 -1.05 119.74 120.84 1v31 s LYS 70 Ca 0.33 0.87 0.28 0.00 0.02 0.00 0.00 55.97 57.47 1v31 s LYS 70 Cb 0.07 -3.29 1.54 0.00 -0.52 0.00 0.00 37.83 35.64 1v31 s LYS 70 CO 0.08 0.50 1.86 0.74 -0.92 0.00 0.00 175.35 177.61 1v31 h PHE 71 N 4.96 0.00 0.02 3.18 0.04 0.15 -1.89 116.94 123.40 1v31 h PHE 71 Ca -0.47 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 59.93 1v31 h PHE 71 Cb 1.21 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.31 1v31 h PHE 71 CO 0.66 0.00 -2.07 0.25 -0.60 0.00 0.00 178.31 176.56 1v31 n THR 72 N -2.53 1.57 -0.29 -1.55 -2.24 -1.26 -4.28 114.28 103.70 1v31 n THR 72 Ca -0.02 -0.37 0.22 0.00 -2.27 0.00 0.00 64.05 61.60 1v31 n THR 72 Cb 0.09 -1.81 0.51 0.00 -2.10 0.00 0.00 70.33 67.03 1v31 n THR 72 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1v31 h MET 73 N -0.59 0.38 -0.61 -0.78 2.86 -1.72 -2.09 114.93 112.38 1v31 h MET 73 Ca -0.53 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.15 1v31 h MET 73 Cb 1.67 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 33.17 1v31 h MET 73 CO -0.20 0.25 -0.36 0.28 1.06 0.00 0.00 176.91 177.94 1v31 n VAL 74 N -4.56 -0.42 -0.29 -2.22 0.31 -0.90 0.14 118.33 110.39 1v31 n VAL 74 Ca 0.23 2.01 0.18 0.00 -0.01 0.00 0.00 64.34 66.75 1v31 n VAL 74 Cb 0.82 -2.53 0.34 0.00 -0.91 0.00 0.00 33.84 31.56 1v31 n VAL 74 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1v31 n SER 75 N -4.38 0.05 -0.04 4.52 2.88 -0.78 0.21 113.62 116.07 1v31 n SER 75 Ca 0.01 1.43 -0.14 0.00 -1.33 0.00 0.00 58.87 58.85 1v31 n SER 75 Cb 0.16 -0.59 -0.09 0.00 -0.75 0.00 0.00 64.21 62.94 1v31 n SER 75 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1v31 h GLN 76 N 0.00 0.22 0.30 -1.46 4.15 0.11 -2.41 115.11 116.02 1v31 h GLN 76 Ca 0.59 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.85 1v31 h GLN 76 Cb 1.38 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.09 1v31 h GLN 76 CO -0.75 0.75 -0.14 0.87 -1.93 0.00 0.00 178.83 177.63 1v31 h LYS 77 N -0.27 -0.38 -1.06 1.69 1.79 0.64 -2.91 116.57 116.06 1v31 h LYS 77 Ca -0.00 0.03 0.43 0.00 -2.18 0.00 0.00 60.65 58.92 1v31 h LYS 77 Cb 0.75 0.09 -0.17 0.00 -1.58 0.00 0.00 32.23 31.32 1v31 h LYS 77 CO 0.03 -0.26 0.60 0.44 -1.08 0.00 0.00 179.45 179.19 1v31 n ILE 78 N -3.27 -0.39 -0.36 1.86 -6.64 0.56 0.83 119.36 111.96 1v31 n ILE 78 Ca -0.05 1.98 0.02 0.00 -1.77 0.00 0.00 62.75 62.93 1v31 n ILE 78 Cb 0.16 -3.22 0.09 0.00 -1.44 0.00 0.00 39.64 35.23 1v31 n ILE 78 CO 0.00 0.00 0.00 0.77 -1.77 0.00 0.00 176.55 175.55 1v31 h SER 79 N 0.00 -1.15 -0.71 7.28 4.64 -1.22 1.60 113.55 124.00 1v31 h SER 79 Ca 0.85 0.30 0.12 0.00 -0.47 0.00 0.00 61.79 62.59 1v31 h SER 79 Cb 2.34 0.67 -0.08 0.00 -0.31 0.00 0.00 62.40 65.02 1v31 h SER 79 CO -0.71 -0.31 0.29 0.45 -0.87 0.00 0.00 176.83 175.69 1v31 h HIS 80 N -0.01 0.51 -0.10 4.77 3.86 0.36 0.18 115.15 124.72 1v31 h HIS 80 Ca 0.40 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.51 1v31 h HIS 80 Cb 0.65 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 1v31 h HIS 80 CO -0.80 0.11 -0.52 0.45 0.86 0.00 0.00 177.93 178.03 1v31 h HIS 81 N 0.47 0.34 -2.13 2.45 3.86 0.16 -3.42 115.15 116.88 1v31 h HIS 81 Ca 0.37 -0.12 -0.57 0.00 -1.16 0.00 0.00 60.37 58.90 1v31 h HIS 81 Cb 0.51 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 28.92 1v31 h HIS 81 CO -0.16 0.74 1.30 1.28 0.86 0.00 0.00 177.93 181.96 1v31 n LEU 82 N -3.94 3.70 -4.33 2.43 4.77 0.42 -4.46 117.00 115.60 1v31 n LEU 82 Ca -0.02 0.68 -0.17 0.00 -0.03 0.00 0.00 56.01 56.46 1v31 n LEU 82 Cb 0.56 -1.50 -0.10 0.00 -2.33 0.00 0.00 43.42 40.05 1v31 n LEU 82 CO 0.44 -0.15 -0.38 -0.44 -1.33 0.00 0.00 177.39 175.53 1v31 s SER 83 N 5.73 2.11 -0.09 -1.43 0.01 -1.10 -4.91 113.70 114.00 1v31 s SER 83 Ca 0.94 -1.12 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 1v31 s SER 83 Cb -0.46 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 65.69 1v31 s SER 83 CO 0.42 -0.37 1.24 -2.16 0.41 0.00 0.00 173.24 172.78 1v31 s PRO 84 N -3.77 4.30 0.97 12.44 0.04 -1.26 0.11 135.00 147.83 1v31 s PRO 84 Ca 0.24 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 62.83 1v31 s PRO 84 Cb 0.03 -3.64 0.17 0.00 0.04 0.00 0.00 34.50 31.11 1v31 s PRO 84 CO 0.06 -0.56 1.17 -1.25 0.04 0.00 0.00 177.00 176.46 1v31 s PRO 85 N 2.73 0.65 -0.33 0.56 0.04 -1.26 -4.70 135.00 132.70 1v31 s PRO 85 Ca 0.56 0.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.41 1v31 s PRO 85 Cb -0.24 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1v31 s PRO 85 CO 0.19 -2.49 1.36 -1.25 0.04 0.00 0.00 177.00 174.86 1v31 s PRO 86 N -5.42 3.80 -0.02 0.56 0.04 -1.26 -4.90 135.00 127.81 1v31 s PRO 86 Ca 0.67 1.19 -0.22 0.00 0.04 0.00 0.00 61.00 62.68 1v31 s PRO 86 Cb -0.12 -3.94 -0.22 0.00 0.04 0.00 0.00 34.50 30.26 1v31 s PRO 86 CO 0.54 -1.27 1.10 -1.00 0.04 0.00 0.00 177.00 176.41 1v31 h PRO 87 N 9.85 0.30 0.00 0.56 0.13 -2.02 -3.46 132.00 137.35 1v31 h PRO 87 Ca -0.27 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1v31 h PRO 87 Cb 1.10 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1v31 h PRO 87 CO 1.05 0.97 0.00 0.45 -0.23 0.00 0.00 178.00 180.24 1v31 n SER 88 N -4.40 0.03 -4.65 1.44 2.88 -1.26 -5.05 113.62 102.61 1v31 n SER 88 Ca -0.09 0.10 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1v31 n SER 88 Cb 0.55 0.06 -0.03 0.00 -0.75 0.00 0.00 64.21 64.04 1v31 n SER 88 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v31 s GLY 89 N -4.01 1.36 0.54 0.46 0.00 -1.26 -4.97 107.32 99.44 1v31 s GLY 89 Ca 0.00 1.02 -0.18 0.00 0.00 0.00 0.00 44.72 45.56 1v31 s GLY 89 CO 0.00 3.29 1.04 2.56 0.00 0.00 0.00 173.10 179.99 1v31 s PRO 90 N 4.53 3.59 0.27 2.90 0.04 -1.26 -4.78 135.00 140.28 1v31 s PRO 90 Ca 0.82 1.25 0.11 0.00 0.04 0.00 0.00 61.00 63.22 1v31 s PRO 90 Cb -0.36 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 1v31 s PRO 90 CO 0.35 -0.60 -0.11 0.45 0.04 0.00 0.00 177.00 177.13 1v31 s SER 91 N -2.46 4.03 0.76 6.66 0.15 -1.26 -5.13 113.70 116.45 1v31 s SER 91 Ca 0.65 -0.85 -0.11 0.00 0.70 0.00 0.00 55.95 56.34 1v31 s SER 91 Cb -0.16 -0.55 0.05 0.00 -1.71 0.00 0.00 66.02 63.65 1v31 s SER 91 CO 0.29 0.02 1.08 -0.94 1.20 0.00 0.00 173.24 174.89 1v31 s SER 92 N -3.57 4.78 0.00 5.45 1.04 -1.26 -5.17 113.70 114.97 1v31 s SER 92 Ca 0.31 1.49 0.00 0.00 0.48 0.00 0.00 55.95 58.23 1v31 s SER 92 Cb -0.06 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1v31 s SER 92 CO 0.17 -1.81 0.00 0.61 0.98 0.00 0.00 173.24 173.19