#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k14 h SER 2 N 0.00 0.54 -0.64 1.61 0.02 -2.05 -1.41 113.55 111.62 2k14 h SER 2 Ca 0.00 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 2k14 h SER 2 Cb 0.00 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 2k14 h SER 2 CO 0.00 0.29 0.18 0.45 -1.14 0.00 0.00 176.83 176.61 2k14 h HIS 3 N 0.58 1.07 -0.35 3.45 -0.00 -2.05 -0.41 115.15 117.43 2k14 h HIS 3 Ca 0.39 -0.11 -0.10 0.00 -0.00 0.00 0.00 60.37 60.55 2k14 h HIS 3 Cb 0.71 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 2k14 h HIS 3 CO -0.00 0.86 -0.18 1.98 -0.00 0.00 0.00 177.93 180.59 2k14 h MET 4 N 0.99 0.74 -0.56 2.45 1.85 -1.71 -1.65 114.93 117.04 2k14 h MET 4 Ca 0.21 -0.33 -0.05 0.00 -0.61 0.00 0.00 59.70 58.92 2k14 h MET 4 Cb 0.31 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.30 2k14 h MET 4 CO -0.00 0.94 0.12 -0.07 -0.40 0.00 0.00 176.91 177.50 2k14 h LEU 5 N 0.53 0.81 -0.59 3.39 3.38 -1.18 -0.11 115.31 121.55 2k14 h LEU 5 Ca 0.08 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 2k14 h LEU 5 Cb 0.72 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2k14 h LEU 5 CO 0.05 0.80 -0.40 -0.33 0.09 0.00 0.00 178.44 178.65 2k14 h GLU 6 N 0.83 0.68 -0.41 1.13 4.39 -1.08 -1.90 114.58 118.22 2k14 h GLU 6 Ca 0.18 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 2k14 h GLU 6 Cb 0.32 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2k14 h GLU 6 CO 0.00 0.96 0.15 1.03 -1.16 0.00 0.00 179.01 179.99 2k14 h SER 7 N 0.55 0.58 -0.21 1.42 0.87 -0.79 -0.77 113.55 115.19 2k14 h SER 7 Ca 0.05 -0.18 -0.11 0.00 -1.23 0.00 0.00 61.79 60.32 2k14 h SER 7 Cb 0.93 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2k14 h SER 7 CO 0.08 0.60 -0.23 0.77 -0.53 0.00 0.00 176.83 177.53 2k14 h SER 8 N 0.52 0.68 -0.51 6.23 4.64 -1.05 -0.21 113.55 123.86 2k14 h SER 8 Ca 0.14 -0.24 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 2k14 h SER 8 Cb 0.21 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 2k14 h SER 8 CO -0.01 0.90 0.16 0.00 -0.87 0.00 0.00 176.83 177.01 2k14 h ALA 9 N 1.16 0.66 -0.44 5.18 0.00 -1.25 -0.36 119.26 124.22 2k14 h ALA 9 Ca 0.08 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2k14 h ALA 9 Cb 0.71 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2k14 h ALA 9 CO 0.05 0.32 -0.15 1.49 0.00 0.00 0.00 179.25 180.97 2k14 h GLU 10 N 0.69 0.82 -0.66 0.00 4.81 -0.99 -1.12 114.58 118.13 2k14 h GLU 10 Ca 0.16 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 2k14 h GLU 10 Cb 0.27 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 2k14 h GLU 10 CO -0.01 0.91 0.21 1.49 -0.73 0.00 0.00 179.01 180.89 2k14 h GLU 11 N 0.73 1.00 -0.47 1.92 4.81 -0.93 0.45 114.58 122.08 2k14 h GLU 11 Ca 0.11 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 2k14 h GLU 11 Cb 0.65 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2k14 h GLU 11 CO 0.05 0.85 -0.04 0.77 -0.73 0.00 0.00 179.01 179.90 2k14 h SER 12 N 0.97 0.78 -0.42 1.04 0.02 -0.82 -1.15 113.55 113.97 2k14 h SER 12 Ca 0.22 -0.21 -0.13 0.00 -0.84 0.00 0.00 61.79 60.83 2k14 h SER 12 Cb 0.26 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2k14 h SER 12 CO -0.01 0.87 -0.22 0.25 -1.14 0.00 0.00 176.83 176.59 2k14 h LEU 13 N 0.74 0.94 -1.18 5.07 7.12 -0.84 -1.69 115.31 125.47 2k14 h LEU 13 Ca 0.14 -0.35 -0.02 0.00 0.13 0.00 0.00 57.88 57.77 2k14 h LEU 13 Cb 0.51 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 40.35 2k14 h LEU 13 CO 0.03 1.12 0.29 0.00 -0.13 0.00 0.00 178.44 179.74 2k14 h ALA 14 N 0.95 1.37 -0.63 1.25 0.00 -0.70 0.11 119.26 121.61 2k14 h ALA 14 Ca 0.11 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2k14 h ALA 14 Cb 0.77 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2k14 h ALA 14 CO 0.06 0.50 0.14 -0.92 0.00 0.00 0.00 179.25 179.02 2k14 h TYR 15 N 0.86 1.07 -0.70 0.00 3.20 -0.99 -0.92 116.97 119.48 2k14 h TYR 15 Ca 0.21 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 2k14 h TYR 15 Cb 0.09 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 2k14 h TYR 15 CO 0.01 0.90 0.24 0.00 -1.64 0.00 0.00 178.16 177.66 2k14 h ARG 16 N 0.93 1.07 -0.61 1.82 3.08 -0.87 -2.95 114.38 116.86 2k14 h ARG 16 Ca 0.19 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2k14 h ARG 16 Cb 0.38 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 2k14 h ARG 16 CO 0.01 0.91 0.24 1.49 -1.07 0.00 0.00 179.97 181.55 2k14 h GLU 17 N 1.01 0.89 0.00 0.04 4.81 -0.64 -2.46 114.58 118.24 2k14 h GLU 17 Ca 0.23 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2k14 h GLU 17 Cb 0.28 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 2k14 h GLU 17 CO -0.01 0.73 -0.04 0.22 -0.73 0.00 0.00 179.01 179.17 2k14 h ASP 18 N 0.87 0.00 0.20 1.04 3.58 -0.99 -1.23 116.42 119.90 2k14 h ASP 18 Ca 0.21 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 2k14 h ASP 18 Cb 0.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2k14 h ASP 18 CO -0.02 0.04 -0.23 -0.78 -2.88 0.00 0.00 179.24 175.37 2k14 h ASP 19 N 0.00 0.06 0.42 2.28 3.58 -1.40 -2.85 116.42 118.51 2k14 h ASP 19 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k14 h ASP 19 Cb 0.23 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2k14 h ASP 19 CO 0.01 0.29 0.00 0.18 -2.88 0.00 0.00 179.24 176.84 2k14 n LEU 20 N -4.24 0.53 0.13 2.28 4.77 -0.46 -2.90 117.00 117.11 2k14 n LEU 20 Ca -0.02 0.67 0.18 0.00 -0.03 0.00 0.00 56.01 56.82 2k14 n LEU 20 Cb 0.30 -0.65 0.77 0.00 -2.33 0.00 0.00 43.42 41.52 2k14 n LEU 20 CO 0.38 -0.66 1.16 -0.09 -1.33 0.00 0.00 177.39 176.85 2k14 h ARG 21 N 0.00 0.00 -0.42 3.23 2.43 -1.62 -1.74 114.38 116.26 2k14 h ARG 21 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k14 h ARG 21 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2k14 h ARG 21 CO 0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 2k14 n GLY 22 N -1.48 0.52 3.25 2.80 0.00 -1.14 -4.58 105.19 104.55 2k14 n GLY 22 Ca 0.05 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 2k14 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k14 s ARG 23 N -1.65 1.06 0.57 1.61 0.52 -0.66 -5.09 118.95 115.31 2k14 s ARG 23 Ca 0.13 -1.42 -0.12 0.00 -0.52 0.00 0.00 55.73 53.79 2k14 s ARG 23 Cb 0.08 -0.67 -0.05 0.00 0.52 0.00 0.00 34.95 34.83 2k14 s ARG 23 CO 0.07 0.09 0.99 -0.51 0.02 0.00 0.00 175.30 175.96 2k14 s LEU 24 N -3.08 3.40 0.00 2.53 2.01 -1.26 -3.04 118.68 119.24 2k14 s LEU 24 Ca 0.16 1.43 0.03 0.00 0.01 0.00 0.00 54.13 55.76 2k14 s LEU 24 Cb 0.01 -4.43 -0.01 0.00 0.01 0.00 0.00 46.19 41.77 2k14 s LEU 24 CO 0.01 -0.75 0.11 0.61 1.01 0.00 0.00 176.35 177.35 2k14 n GLY 25 N -2.29 3.59 2.83 -3.19 0.00 0.88 -1.57 105.19 105.44 2k14 n GLY 25 Ca 0.06 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.12 2k14 n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k14 s LYS 26 N -2.58 0.12 0.16 1.61 2.47 0.71 -1.09 119.74 121.14 2k14 s LYS 26 Ca 0.16 0.45 -0.30 0.00 -1.56 0.00 0.00 55.97 54.71 2k14 s LYS 26 Cb 0.01 -0.63 -0.08 0.00 -1.46 0.00 0.00 37.83 35.67 2k14 s LYS 26 CO 0.11 -0.45 1.18 0.08 0.16 0.00 0.00 175.35 176.43 2k14 s VAL 27 N 2.33 3.71 0.00 4.02 1.01 -0.96 -1.34 120.40 129.18 2k14 s VAL 27 Ca 0.04 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.42 2k14 s VAL 27 Cb -0.14 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2k14 s VAL 27 CO -0.09 0.21 0.00 2.30 0.00 0.00 0.00 175.10 177.52 2k14 n ILE 28 N 2.74 0.00 -3.74 2.22 -5.35 -0.15 -0.96 119.36 114.11 2k14 n ILE 28 Ca 0.05 -0.27 -0.15 0.00 -0.27 0.00 0.00 62.75 62.11 2k14 n ILE 28 Cb 0.45 0.86 -0.16 0.00 -1.74 0.00 0.00 39.64 39.05 2k14 n ILE 28 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2k14 s THR 29 N -0.85 -0.08 0.30 7.28 2.01 -1.15 -4.91 115.64 118.24 2k14 s THR 29 Ca 0.00 0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.94 2k14 s THR 29 Cb 0.00 -0.17 -0.13 0.00 0.01 0.00 0.00 72.50 72.21 2k14 s THR 29 CO 0.00 0.10 1.34 0.00 -0.69 0.00 0.00 174.62 175.36 2k14 n ALA 30 N 4.39 1.22 -3.91 7.40 0.00 -1.26 -1.35 120.51 127.01 2k14 n ALA 30 Ca -0.23 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.26 2k14 n ALA 30 Cb 0.51 -2.26 -0.13 0.00 0.00 0.00 0.00 19.45 17.56 2k14 n ALA 30 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k14 s VAL 31 N -0.65 2.76 0.95 0.00 1.01 0.05 -3.56 120.40 120.96 2k14 s VAL 31 Ca 0.61 -2.57 -0.15 0.00 0.00 0.00 0.00 61.98 59.87 2k14 s VAL 31 Cb -0.60 -2.94 0.17 0.00 0.00 0.00 0.00 36.38 33.01 2k14 s VAL 31 CO 0.57 -0.70 1.23 -2.16 0.00 0.00 0.00 175.10 174.04 2k14 s PRO 32 N 0.58 0.80 0.56 2.72 0.04 -1.26 -0.77 135.00 137.68 2k14 s PRO 32 Ca 0.12 -0.11 0.27 0.00 0.04 0.00 0.00 61.00 61.32 2k14 s PRO 32 Cb -0.22 -1.84 1.49 0.00 0.04 0.00 0.00 34.50 33.98 2k14 s PRO 32 CO -0.05 -2.35 2.01 -0.39 0.04 0.00 0.00 177.00 176.26 2k14 h VAL 33 N -1.60 0.58 -0.05 -0.36 -1.51 -1.88 -2.79 116.25 108.63 2k14 h VAL 33 Ca -0.46 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 64.83 2k14 h VAL 33 Cb 1.28 0.75 -0.35 0.00 -2.13 0.00 0.00 31.29 30.84 2k14 h VAL 33 CO 0.49 0.00 -0.94 -0.67 -1.23 0.00 0.00 177.57 175.21 2k14 n ASP 34 N -4.05 0.78 -0.47 4.19 2.03 -1.26 -4.29 116.55 113.47 2k14 n ASP 34 Ca 0.06 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.37 2k14 n ASP 34 Cb 0.51 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 2k14 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k14 n GLY 35 N 0.26 4.70 3.17 0.27 0.00 -1.05 -5.08 105.19 107.46 2k14 n GLY 35 Ca 0.01 -1.55 -0.21 0.00 0.00 0.00 0.00 46.02 44.27 2k14 n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k14 s PHE 36 N -1.41 1.37 0.00 1.61 0.40 -1.26 -4.11 117.98 114.59 2k14 s PHE 36 Ca 0.00 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 2k14 s PHE 36 Cb 0.00 -0.81 0.00 0.00 0.51 0.00 0.00 43.02 42.72 2k14 s PHE 36 CO 0.00 0.05 0.00 0.41 0.70 0.00 0.00 175.22 176.38 2k14 n GLY 37 N 1.86 4.66 3.12 4.36 0.00 -0.22 -4.61 105.19 114.37 2k14 n GLY 37 Ca -0.18 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 2k14 n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k14 s GLU 38 N 3.88 0.58 0.07 1.61 2.02 -0.45 -0.96 118.70 125.44 2k14 s GLU 38 Ca 0.00 -0.73 -0.07 0.00 0.02 0.00 0.00 54.97 54.19 2k14 s GLU 38 Cb 0.00 0.23 -0.01 0.00 0.10 0.00 0.00 34.13 34.45 2k14 s GLU 38 CO 0.00 -0.15 0.14 0.54 0.02 0.00 0.00 175.26 175.82 2k14 s VAL 39 N -2.52 0.15 0.04 2.63 0.11 -0.36 -0.98 120.40 119.47 2k14 s VAL 39 Ca -0.06 -1.21 0.05 0.00 -2.93 0.00 0.00 61.98 57.84 2k14 s VAL 39 Cb -0.02 -1.22 -0.02 0.00 -1.53 0.00 0.00 36.38 33.59 2k14 s VAL 39 CO -0.04 -0.67 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.22 2k14 s VAL 40 N -3.45 1.24 0.49 2.04 1.01 -0.45 -0.89 120.40 120.40 2k14 s VAL 40 Ca 0.02 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 60.75 2k14 s VAL 40 Cb 0.03 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.23 2k14 s VAL 40 CO -0.09 0.05 1.11 -0.63 0.00 0.00 0.00 175.10 175.55 2k14 s ILE 41 N -0.83 3.32 -0.60 2.22 -1.09 -1.26 -0.21 121.20 122.74 2k14 s ILE 41 Ca 0.03 0.89 0.10 0.00 -2.23 0.00 0.00 60.65 59.44 2k14 s ILE 41 Cb -0.08 -3.40 0.10 0.00 -1.58 0.00 0.00 42.46 37.50 2k14 s ILE 41 CO 0.01 -0.11 1.30 -0.62 -1.23 0.00 0.00 174.94 174.29 2k14 n GLU 42 N -0.88 0.07 -0.36 2.79 -0.58 -0.61 -3.27 120.64 117.80 2k14 n GLU 42 Ca 0.09 0.56 -0.01 0.00 -0.42 0.00 0.00 57.16 57.39 2k14 n GLU 42 Cb 0.50 -1.73 -0.01 0.00 -0.57 0.00 0.00 31.44 29.64 2k14 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k14 n GLY 43 N -1.40 1.88 0.38 0.62 0.00 -1.26 -4.75 105.19 100.65 2k14 n GLY 43 Ca -0.01 -0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.11 2k14 n GLY 43 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2k14 h ILE 44 N 1.40 0.09 0.00 -0.61 -0.00 -1.90 0.55 117.51 117.03 2k14 h ILE 44 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.87 2k14 h ILE 44 Cb 0.69 0.42 0.00 0.00 -0.00 0.00 0.00 36.82 37.93 2k14 h ILE 44 CO 0.02 0.00 0.00 1.23 -0.00 0.00 0.00 178.15 179.40 2k14 h GLY 45 N 0.00 0.00 0.00 0.16 0.00 -1.92 -3.38 103.07 97.92 2k14 h GLY 45 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2k14 h GLY 45 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2k14 n GLY 46 N -0.57 1.00 3.68 4.60 0.00 0.06 -5.14 105.19 108.81 2k14 n GLY 46 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2k14 n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k14 s THR 47 N 0.00 1.90 -0.02 2.61 -4.23 -0.47 -5.10 115.64 110.34 2k14 s THR 47 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.55 2k14 s THR 47 Cb 0.00 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 2k14 s THR 47 CO 0.00 0.00 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.32 2k14 s ILE 48 N -3.07 1.08 0.52 2.99 1.01 -1.26 -4.91 121.20 117.56 2k14 s ILE 48 Ca 0.67 -0.57 -0.20 0.00 0.00 0.00 0.00 60.65 60.55 2k14 s ILE 48 Cb -0.15 -0.91 -0.07 0.00 0.01 0.00 0.00 42.46 41.34 2k14 s ILE 48 CO 0.56 0.31 1.10 -0.94 0.00 0.00 0.00 174.94 175.98 2k14 s SER 49 N -0.20 5.96 0.11 3.58 1.04 -1.26 -4.42 113.70 118.51 2k14 s SER 49 Ca 0.03 2.11 -0.04 0.00 0.48 0.00 0.00 55.95 58.53 2k14 s SER 49 Cb -0.07 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.45 2k14 s SER 49 CO -0.00 -1.05 0.11 -0.54 0.98 0.00 0.00 173.24 172.74 2k14 s LYS 50 N -3.20 0.88 0.59 4.02 -0.14 -0.07 -5.00 119.74 116.82 2k14 s LYS 50 Ca 0.70 -1.22 -0.18 0.00 -1.36 0.00 0.00 55.97 53.91 2k14 s LYS 50 Cb -0.22 0.28 -0.03 0.00 -1.68 0.00 0.00 37.83 36.18 2k14 s LYS 50 CO 0.26 -0.26 1.16 0.45 -0.76 0.00 0.00 175.35 176.20 2k14 s SER 51 N -2.96 5.31 0.00 2.83 0.15 -0.99 -1.22 113.70 116.83 2k14 s SER 51 Ca 0.14 2.25 -0.03 0.00 0.70 0.00 0.00 55.95 59.02 2k14 s SER 51 Cb 0.06 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.78 2k14 s SER 51 CO -0.04 -1.50 0.04 0.00 1.20 0.00 0.00 173.24 172.94 2k14 s ALA 52 N -1.79 -0.08 0.12 5.45 0.00 -0.13 -1.21 121.76 124.12 2k14 s ALA 52 Ca 0.74 -0.24 0.06 0.00 0.00 0.00 0.00 51.96 52.53 2k14 s ALA 52 Cb -0.26 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2k14 s ALA 52 CO 0.33 -0.13 -0.15 0.14 0.00 0.00 0.00 175.76 175.95 2k14 s VAL 53 N -0.98 1.36 -0.50 0.00 -7.23 -0.13 -1.05 120.40 111.85 2k14 s VAL 53 Ca -0.11 -1.70 -0.28 0.00 -1.81 0.00 0.00 61.98 58.09 2k14 s VAL 53 Cb -0.06 -1.52 0.03 0.00 0.56 0.00 0.00 36.38 35.39 2k14 s VAL 53 CO 0.00 -0.39 1.10 -0.55 -0.31 0.00 0.00 175.10 174.96 2k14 s SER 54 N -2.40 6.55 0.30 4.85 0.15 -1.26 -1.02 113.70 120.87 2k14 s SER 54 Ca 0.08 0.27 0.04 0.00 0.70 0.00 0.00 55.95 57.05 2k14 s SER 54 Cb -0.05 -2.53 0.46 0.00 -1.71 0.00 0.00 66.02 62.19 2k14 s SER 54 CO 0.03 -1.27 1.74 0.15 1.20 0.00 0.00 173.24 175.09 2k14 h PHE 55 N 9.28 0.45 -0.26 3.44 3.57 -1.39 -3.26 116.94 128.76 2k14 h PHE 55 Ca -0.24 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.17 2k14 h PHE 55 Cb 1.06 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.69 2k14 h PHE 55 CO 0.97 0.64 0.00 -3.47 -2.23 0.00 0.00 178.31 174.22 2k14 n ASP 56 N -4.12 2.22 -3.72 0.41 2.03 -1.26 -4.95 116.55 107.16 2k14 n ASP 56 Ca -0.01 -1.83 -0.22 0.00 0.52 0.00 0.00 54.79 53.25 2k14 n ASP 56 Cb 0.40 -0.17 0.03 0.00 -0.72 0.00 0.00 41.12 40.67 2k14 n ASP 56 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2k14 n ASN 57 N 0.69 -1.73 -4.12 1.67 4.05 -1.23 -5.03 115.26 109.56 2k14 n ASN 57 Ca 0.17 -0.80 -0.12 0.00 0.45 0.00 0.00 54.58 54.27 2k14 n ASN 57 Cb 0.40 -4.09 -0.11 0.00 1.23 0.00 0.00 39.78 37.22 2k14 n ASN 57 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2k14 s GLN 58 N -6.05 0.69 0.05 1.20 -1.52 -1.26 -4.82 119.66 107.96 2k14 s GLN 58 Ca 0.10 -1.05 -0.24 0.00 -1.95 0.00 0.00 55.36 52.22 2k14 s GLN 58 Cb -0.05 -0.29 -0.06 0.00 -0.22 0.00 0.00 33.01 32.40 2k14 s GLN 58 CO 0.81 0.03 0.75 -1.14 -0.25 0.00 0.00 175.29 175.48 2k14 s GLN 59 N -2.66 4.48 -0.31 2.91 0.74 -1.26 -3.83 119.66 119.73 2k14 s GLN 59 Ca 0.01 1.04 -0.00 0.00 0.05 0.00 0.00 55.36 56.45 2k14 s GLN 59 Cb -0.03 -3.35 0.10 0.00 1.10 0.00 0.00 33.01 30.83 2k14 s GLN 59 CO -0.02 0.33 0.08 0.42 -0.55 0.00 0.00 175.29 175.55 2k14 s ILE 60 N -0.19 1.08 0.90 -2.34 1.01 0.05 -4.99 121.20 116.71 2k14 s ILE 60 Ca 0.37 -1.49 -0.12 0.00 0.00 0.00 0.00 60.65 59.41 2k14 s ILE 60 Cb -0.20 -1.79 0.13 0.00 0.01 0.00 0.00 42.46 40.61 2k14 s ILE 60 CO 0.23 -0.63 1.12 -0.94 0.00 0.00 0.00 174.94 174.72 2k14 s SER 61 N 1.52 3.55 0.33 3.58 1.04 -1.26 -0.77 113.70 121.69 2k14 s SER 61 Ca 0.09 1.08 -0.27 0.00 0.48 0.00 0.00 55.95 57.33 2k14 s SER 61 Cb -0.18 -1.71 -0.13 0.00 0.10 0.00 0.00 66.02 64.11 2k14 s SER 61 CO -0.22 -2.54 1.11 0.00 0.98 0.00 0.00 173.24 172.58 2k14 n TYR 62 N -3.77 1.63 -2.27 5.02 9.36 -1.26 -3.92 117.16 121.95 2k14 n TYR 62 Ca 0.06 0.63 -0.04 0.00 3.32 0.00 0.00 57.90 61.87 2k14 n TYR 62 Cb 0.58 -2.31 0.00 0.00 -0.63 0.00 0.00 39.34 36.99 2k14 n TYR 62 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k14 n GLY 63 N 1.04 0.36 3.34 2.98 0.00 -0.13 -5.00 105.19 107.78 2k14 n GLY 63 Ca 0.08 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 2k14 n GLY 63 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k14 s THR 64 N -2.46 1.89 -0.14 2.61 -1.32 -1.25 -4.97 115.64 109.99 2k14 s THR 64 Ca 0.03 -1.85 -0.18 0.00 -1.21 0.00 0.00 61.69 58.49 2k14 s THR 64 Cb -0.01 -1.83 -0.04 0.00 -1.51 0.00 0.00 72.50 69.11 2k14 s THR 64 CO 0.04 -0.22 0.46 -0.89 -2.21 0.00 0.00 174.62 171.81 2k14 s THR 65 N -1.76 5.19 0.04 5.08 2.01 -1.26 -2.25 115.64 122.68 2k14 s THR 65 Ca 0.14 0.89 0.05 0.00 0.31 0.00 0.00 61.69 63.09 2k14 s THR 65 Cb -0.07 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 2k14 s THR 65 CO 0.07 0.30 -0.15 0.68 -0.69 0.00 0.00 174.62 174.82 2k14 s VAL 66 N 0.85 1.19 -0.14 3.82 -7.23 -0.25 -1.44 120.40 117.19 2k14 s VAL 66 Ca 0.24 -1.01 -0.17 0.00 -1.81 0.00 0.00 61.98 59.23 2k14 s VAL 66 Cb -0.15 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 2k14 s VAL 66 CO 0.09 0.05 0.45 -0.22 -0.31 0.00 0.00 175.10 175.16 2k14 s LEU 67 N -1.11 4.25 -1.34 1.32 2.96 0.17 -0.08 118.68 124.85 2k14 s LEU 67 Ca 0.03 0.73 -0.16 0.00 -0.22 0.00 0.00 54.13 54.51 2k14 s LEU 67 Cb -0.08 -2.64 0.07 0.00 0.50 0.00 0.00 46.19 44.04 2k14 s LEU 67 CO 0.01 -0.02 1.85 0.52 -1.32 0.00 0.00 176.35 177.40 2k14 n VAL 68 N 3.83 3.85 0.23 1.68 0.31 -1.17 -1.96 118.33 125.11 2k14 n VAL 68 Ca -0.07 -3.87 0.11 0.00 -0.01 0.00 0.00 64.34 60.49 2k14 n VAL 68 Cb 0.51 -2.43 0.53 0.00 -0.91 0.00 0.00 33.84 31.55 2k14 n VAL 68 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2k14 h VAL 69 N 5.02 0.52 -3.90 2.52 -1.51 -1.47 -3.40 116.25 114.03 2k14 h VAL 69 Ca 0.47 -0.96 -0.10 0.00 -1.23 0.00 0.00 66.70 64.87 2k14 h VAL 69 Cb 0.80 1.66 -0.13 0.00 -2.13 0.00 0.00 31.29 31.49 2k14 h VAL 69 CO 1.56 0.19 -0.34 -0.62 -1.23 0.00 0.00 177.57 177.13 2k14 s ASP 70 N -6.14 0.07 -0.08 4.19 -1.08 -0.88 -5.03 116.67 107.73 2k14 s ASP 70 Ca -0.00 -0.85 -0.06 0.00 -0.52 0.00 0.00 52.55 51.12 2k14 s ASP 70 Cb 0.11 0.41 0.02 0.00 -1.46 0.00 0.00 42.92 42.00 2k14 s ASP 70 CO 0.62 -0.86 0.20 -0.63 0.52 0.00 0.00 175.17 175.02 2k14 s ILE 71 N -3.95 -0.01 0.13 4.11 1.01 -1.26 -0.41 121.20 120.82 2k14 s ILE 71 Ca 0.15 0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.85 2k14 s ILE 71 Cb 0.04 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.18 2k14 s ILE 71 CO -0.02 0.01 -0.05 0.21 0.00 0.00 0.00 174.94 175.09 2k14 s ASN 72 N 0.26 1.30 -0.86 3.58 3.84 -0.79 -4.97 114.94 117.31 2k14 s ASN 72 Ca -0.01 -1.05 -0.23 0.00 0.21 0.00 0.00 52.86 51.77 2k14 s ASN 72 Cb -0.03 0.08 -0.21 0.00 -0.55 0.00 0.00 41.25 40.55 2k14 s ASN 72 CO -0.01 -0.47 2.45 -3.20 -2.79 0.00 0.00 177.10 173.09 2k14 n ASN 73 N -0.13 0.51 -0.04 -4.21 5.15 -1.26 -0.84 115.26 114.43 2k14 n ASN 73 Ca -0.10 -0.43 -0.01 0.00 -0.60 0.00 0.00 54.58 53.44 2k14 n ASN 73 Cb 0.61 -1.08 -0.00 0.00 -0.53 0.00 0.00 39.78 38.78 2k14 n ASN 73 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k14 n GLY 74 N 6.18 0.30 2.59 8.20 0.00 -1.26 -4.96 105.19 116.23 2k14 n GLY 74 Ca 0.57 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 46.27 2k14 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k14 s VAL 75 N -1.54 0.84 0.40 1.61 1.01 -0.02 -2.35 120.40 120.36 2k14 s VAL 75 Ca 0.00 -2.27 -0.23 0.00 0.00 0.00 0.00 61.98 59.48 2k14 s VAL 75 Cb 0.00 -1.60 -0.10 0.00 0.00 0.00 0.00 36.38 34.69 2k14 s VAL 75 CO 0.00 -0.97 1.00 -0.76 0.00 0.00 0.00 175.10 174.37 2k14 s LEU 76 N 0.56 4.09 -0.23 3.92 1.02 -0.35 -1.88 118.68 125.81 2k14 s LEU 76 Ca 0.19 1.88 -0.06 0.00 0.02 0.00 0.00 54.13 56.17 2k14 s LEU 76 Cb -0.21 -4.30 -0.02 0.00 0.02 0.00 0.00 46.19 41.69 2k14 s LEU 76 CO -0.02 -0.40 0.01 -0.44 0.02 0.00 0.00 176.35 175.52 2k14 s SER 77 N -1.80 4.73 0.21 2.29 0.01 0.45 -0.96 113.70 118.63 2k14 s SER 77 Ca 0.59 -0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.60 2k14 s SER 77 Cb -0.17 -1.83 -0.05 0.00 0.21 0.00 0.00 66.02 64.18 2k14 s SER 77 CO 0.22 -0.02 -0.04 0.68 0.41 0.00 0.00 173.24 174.48 2k14 s VAL 78 N 1.50 1.18 -0.10 3.43 -7.23 -0.18 -1.36 120.40 117.64 2k14 s VAL 78 Ca 0.06 -2.06 -0.10 0.00 -1.81 0.00 0.00 61.98 58.06 2k14 s VAL 78 Cb -0.15 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.60 2k14 s VAL 78 CO 0.00 -0.44 0.29 0.28 -0.31 0.00 0.00 175.10 174.93 2k14 s THR 79 N -3.32 0.01 -0.88 5.32 -1.32 -0.83 -1.03 115.64 113.58 2k14 s THR 79 Ca 0.25 -0.05 -0.25 0.00 -1.21 0.00 0.00 61.69 60.44 2k14 s THR 79 Cb 0.04 -0.43 -0.03 0.00 -1.51 0.00 0.00 72.50 70.57 2k14 s THR 79 CO 0.07 -0.03 1.85 -2.16 -2.21 0.00 0.00 174.62 172.14 2k14 s PRO 80 N 0.01 2.72 0.27 7.08 0.04 -1.26 -0.66 135.00 143.20 2k14 s PRO 80 Ca -0.01 -0.31 -0.00 0.00 0.04 0.00 0.00 61.00 60.71 2k14 s PRO 80 Cb -0.02 -5.01 0.36 0.00 0.04 0.00 0.00 34.50 29.86 2k14 s PRO 80 CO 0.01 -3.12 1.73 1.25 0.04 0.00 0.00 177.00 176.91 2k14 h HIS 81 N 11.45 0.71 -6.99 0.56 2.76 -1.83 -3.48 115.15 118.33 2k14 h HIS 81 Ca 0.07 -0.13 -0.58 0.00 -2.20 0.00 0.00 60.37 57.53 2k14 h HIS 81 Cb 1.02 -0.18 -0.12 0.00 1.55 0.00 0.00 27.41 29.68 2k14 h HIS 81 CO 1.21 0.75 -0.94 -1.91 -1.30 0.00 0.00 177.93 175.74 2k14 n GLU 82 N -4.17 -0.64 -1.32 5.26 0.00 -0.52 -4.95 120.64 114.30 2k14 n GLU 82 Ca 0.01 0.06 -0.31 0.00 0.00 0.00 0.00 57.16 56.91 2k14 n GLU 82 Cb 0.36 -2.91 0.09 0.00 0.00 0.00 0.00 31.44 28.98 2k14 n GLU 82 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2k14 s PRO 83 N -7.26 2.32 0.00 5.31 0.04 -1.26 -5.04 135.00 129.10 2k14 s PRO 83 Ca 0.20 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2k14 s PRO 83 Cb -0.11 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2k14 s PRO 83 CO 0.94 -1.60 0.17 -0.89 0.04 0.00 0.00 177.00 175.66