#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 0.00 -0.33 1.61 0.02 -2.06 -1.23 113.55 111.56 2k14 h SER 2 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k14 h SER 2 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2k14 h SER 2 CO 0.00 0.00 0.22 0.45 -1.14 0.00 0.00 176.83 176.36 2k14 h HIS 3 N 0.00 0.41 -0.04 3.45 -0.00 -2.05 -0.74 115.15 116.18 2k14 h HIS 3 Ca 0.18 0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 60.39 2k14 h HIS 3 Cb 0.77 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 28.03 2k14 h HIS 3 CO 0.00 0.26 -0.74 0.52 -0.00 0.00 0.00 177.93 177.97 2k14 h MET 4 N 0.44 0.26 -0.34 2.45 0.00 -1.65 -1.06 114.93 115.04 2k14 h MET 4 Ca 0.12 -0.23 -0.13 0.00 0.00 0.00 0.00 59.70 59.47 2k14 h MET 4 Cb -0.05 0.05 -0.01 0.00 0.00 0.00 0.00 31.60 31.60 2k14 h MET 4 CO -0.03 0.89 -0.28 -0.07 0.00 0.00 0.00 176.91 177.43 2k14 h LEU 5 N 0.17 0.83 -0.63 1.22 3.38 -1.43 -0.47 115.31 118.38 2k14 h LEU 5 Ca -0.03 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 2k14 h LEU 5 Cb 1.31 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 2k14 h LEU 5 CO 0.12 1.11 0.21 -0.33 0.09 0.00 0.00 178.44 179.63 2k14 h GLU 6 N 0.56 0.98 -0.79 1.13 4.39 -1.17 -1.11 114.58 118.57 2k14 h GLU 6 Ca 0.06 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 2k14 h GLU 6 Cb 0.85 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.32 2k14 h GLU 6 CO 0.07 0.85 0.48 0.77 -1.16 0.00 0.00 179.01 180.02 2k14 h SER 7 N 0.90 0.94 -0.62 1.42 0.02 -1.12 -0.87 113.55 114.23 2k14 h SER 7 Ca 0.21 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 2k14 h SER 7 Cb 0.28 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2k14 h SER 7 CO -0.01 0.73 0.16 0.28 -1.14 0.00 0.00 176.83 176.85 2k14 h SER 8 N 1.08 0.96 -0.49 3.07 0.02 -0.85 -0.29 113.55 117.05 2k14 h SER 8 Ca 0.28 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 2k14 h SER 8 Cb -0.05 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 2k14 h SER 8 CO -0.05 0.92 -0.01 0.00 -1.14 0.00 0.00 176.83 176.55 2k14 h ALA 9 N 1.20 0.66 -0.63 3.77 0.00 -0.89 -0.66 119.26 122.72 2k14 h ALA 9 Ca 0.21 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2k14 h ALA 9 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k14 h ALA 9 CO -0.00 0.48 0.04 0.93 0.00 0.00 0.00 179.25 180.69 2k14 h GLU 10 N 0.73 1.07 -0.30 0.00 5.08 -0.96 -0.80 114.58 119.40 2k14 h GLU 10 Ca 0.14 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 2k14 h GLU 10 Cb 0.52 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2k14 h GLU 10 CO 0.03 1.02 -0.20 0.93 -1.00 0.00 0.00 179.01 179.79 2k14 h GLU 11 N 0.99 0.56 -0.55 2.33 5.08 -1.01 -0.53 114.58 121.44 2k14 h GLU 11 Ca 0.18 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2k14 h GLU 11 Cb 0.52 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2k14 h GLU 11 CO 0.02 0.72 -0.02 0.77 -1.00 0.00 0.00 179.01 179.51 2k14 h SER 12 N 0.50 0.94 -0.50 1.42 0.02 -0.88 -1.41 113.55 113.64 2k14 h SER 12 Ca 0.08 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 2k14 h SER 12 Cb 0.62 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2k14 h SER 12 CO 0.04 1.01 0.08 0.25 -1.14 0.00 0.00 176.83 177.07 2k14 h LEU 13 N 0.88 0.81 -1.34 5.07 6.46 -0.91 -1.56 115.31 124.72 2k14 h LEU 13 Ca 0.16 -0.26 0.02 0.00 -0.12 0.00 0.00 57.88 57.68 2k14 h LEU 13 Cb 0.54 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 2k14 h LEU 13 CO 0.03 0.87 0.46 0.00 -0.62 0.00 0.00 178.44 179.18 2k14 h ALA 14 N 0.97 1.56 -0.56 1.25 0.00 -0.91 0.10 119.26 121.67 2k14 h ALA 14 Ca 0.15 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2k14 h ALA 14 Cb 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k14 h ALA 14 CO 0.01 0.38 -0.09 -0.92 0.00 0.00 0.00 179.25 178.63 2k14 h TYR 15 N 0.88 1.17 -0.60 0.00 3.20 -1.00 -0.90 116.97 119.72 2k14 h TYR 15 Ca 0.27 -0.24 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 2k14 h TYR 15 Cb -0.00 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 2k14 h TYR 15 CO -0.00 1.07 0.05 0.00 -1.64 0.00 0.00 178.16 177.64 2k14 h ARG 16 N 0.94 1.00 -0.72 1.82 3.08 -0.63 -2.77 114.38 117.11 2k14 h ARG 16 Ca 0.15 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 2k14 h ARG 16 Cb 0.66 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 2k14 h ARG 16 CO 0.05 0.95 0.31 0.93 -1.07 0.00 0.00 179.97 181.14 2k14 h GLU 17 N 0.93 1.04 0.00 0.04 5.08 -0.72 -2.99 114.58 117.96 2k14 h GLU 17 Ca 0.18 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2k14 h GLU 17 Cb 0.47 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k14 h GLU 17 CO 0.02 0.83 -0.06 0.22 -1.00 0.00 0.00 179.01 179.02 2k14 h ASP 18 N 1.03 0.00 -0.01 1.42 3.58 -0.87 0.04 116.42 121.61 2k14 h ASP 18 Ca 0.24 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 2k14 h ASP 18 Cb 0.16 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2k14 h ASP 18 CO -0.03 0.06 -0.07 -0.78 -2.88 0.00 0.00 179.24 175.54 2k14 h ASP 19 N 0.00 0.20 1.10 2.28 3.58 -1.46 -2.80 116.42 119.32 2k14 h ASP 19 Ca -0.00 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2k14 h ASP 19 Cb 0.14 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2k14 h ASP 19 CO 0.01 0.30 0.00 -0.07 -2.88 0.00 0.00 179.24 176.60 2k14 h LEU 20 N 0.21 0.00 0.00 2.28 3.38 -1.09 -2.68 115.31 117.40 2k14 h LEU 20 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2k14 h LEU 20 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2k14 h LEU 20 CO 0.01 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.40 2k14 n ARG 21 N -2.77 0.07 -0.64 1.13 0.63 -1.05 -1.64 116.66 112.39 2k14 n ARG 21 Ca 0.02 0.27 0.08 0.00 -0.92 0.00 0.00 57.85 57.30 2k14 n ARG 21 Cb 0.32 -1.50 0.33 0.00 0.45 0.00 0.00 32.46 32.07 2k14 n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k14 n GLY 22 N -0.51 3.21 3.21 5.14 0.00 -1.01 -4.66 105.19 110.56 2k14 n GLY 22 Ca 0.03 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.38 0.94 0.46 1.61 0.52 -0.65 -5.09 118.95 114.34 2k14 s ARG 23 Ca 0.48 -1.36 -0.07 0.00 -0.52 0.00 0.00 55.73 54.25 2k14 s ARG 23 Cb 0.35 -0.44 -0.05 0.00 0.52 0.00 0.00 34.95 35.33 2k14 s ARG 23 CO 0.16 0.04 0.78 -0.51 0.02 0.00 0.00 175.30 175.80 2k14 s LEU 24 N -3.02 3.69 0.00 2.53 2.01 -1.26 -2.81 118.68 119.82 2k14 s LEU 24 Ca 0.13 1.01 0.03 0.00 0.01 0.00 0.00 54.13 55.31 2k14 s LEU 24 Cb 0.03 -3.94 -0.01 0.00 0.01 0.00 0.00 46.19 42.28 2k14 s LEU 24 CO -0.02 -0.52 0.11 0.61 1.01 0.00 0.00 176.35 177.54 2k14 n GLY 25 N -1.92 3.58 2.79 -3.19 0.00 0.89 -1.45 105.19 105.88 2k14 n GLY 25 Ca 0.01 -1.74 -0.18 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.52 0.09 0.13 1.61 2.47 0.71 -1.11 119.74 121.12 2k14 s LYS 26 Ca 0.15 0.38 -0.30 0.00 -1.56 0.00 0.00 55.97 54.64 2k14 s LYS 26 Cb 0.01 -0.74 -0.07 0.00 -1.46 0.00 0.00 37.83 35.57 2k14 s LYS 26 CO 0.11 -0.46 1.20 0.08 0.16 0.00 0.00 175.35 176.45 2k14 s VAL 27 N 2.29 3.75 0.00 4.02 1.01 -0.94 -1.29 120.40 129.23 2k14 s VAL 27 Ca 0.04 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.39 2k14 s VAL 27 Cb -0.14 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2k14 s VAL 27 CO -0.08 0.17 0.00 2.30 0.00 0.00 0.00 175.10 177.49 2k14 n ILE 28 N 3.13 0.00 -3.73 2.22 -5.35 -0.16 -1.03 119.36 114.44 2k14 n ILE 28 Ca 0.06 -0.28 -0.16 0.00 -0.27 0.00 0.00 62.75 62.11 2k14 n ILE 28 Cb 0.45 0.82 -0.16 0.00 -1.74 0.00 0.00 39.64 39.02 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 -1.00 -0.09 0.37 7.28 2.01 -1.14 -4.92 115.64 118.15 2k14 s THR 29 Ca 0.00 0.26 -0.27 0.00 0.31 0.00 0.00 61.69 61.99 2k14 s THR 29 Cb 0.00 -0.17 -0.11 0.00 0.01 0.00 0.00 72.50 72.23 2k14 s THR 29 CO 0.00 0.11 1.28 0.00 -0.69 0.00 0.00 174.62 175.32 2k14 n ALA 30 N 4.54 1.31 -3.92 7.40 0.00 -1.26 -1.29 120.51 127.28 2k14 n ALA 30 Ca -0.20 0.32 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 2k14 n ALA 30 Cb 0.50 -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 -1.14 2.73 0.97 0.00 1.01 0.01 -3.57 120.40 120.41 2k14 s VAL 31 Ca 0.57 -2.88 -0.13 0.00 0.00 0.00 0.00 61.98 59.55 2k14 s VAL 31 Cb -0.54 -2.90 0.17 0.00 0.00 0.00 0.00 36.38 33.10 2k14 s VAL 31 CO 0.61 -0.74 1.12 -2.16 0.00 0.00 0.00 175.10 173.92 2k14 s PRO 32 N 0.21 0.68 0.59 2.72 0.04 -1.26 -0.62 135.00 137.36 2k14 s PRO 32 Ca 0.14 0.37 0.28 0.00 0.04 0.00 0.00 61.00 61.84 2k14 s PRO 32 Cb -0.23 -1.78 1.55 0.00 0.04 0.00 0.00 34.50 34.08 2k14 s PRO 32 CO -0.03 -2.53 1.99 -0.39 0.04 0.00 0.00 177.00 176.09 2k14 h VAL 33 N -1.74 0.43 -0.08 -0.36 -1.51 -1.81 -2.46 116.25 108.73 2k14 h VAL 33 Ca -0.53 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 64.76 2k14 h VAL 33 Cb 1.33 0.72 -0.36 0.00 -2.13 0.00 0.00 31.29 30.86 2k14 h VAL 33 CO 0.59 0.00 -0.96 -0.67 -1.23 0.00 0.00 177.57 175.30 2k14 n ASP 34 N -3.79 0.84 -0.14 4.19 2.03 -1.26 -4.36 116.55 114.06 2k14 n ASP 34 Ca 0.05 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.35 2k14 n ASP 34 Cb 0.51 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.18 4.89 3.17 0.27 0.00 -0.93 -5.09 105.19 107.68 2k14 n GLY 35 Ca 0.02 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.31 1.37 0.00 1.61 0.40 -1.26 -4.19 117.98 114.60 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 4.73 3.11 4.36 0.00 -0.22 -4.61 105.19 114.42 2k14 n GLY 37 Ca -0.18 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 3.70 0.60 0.07 1.61 2.02 -0.41 -0.89 118.70 125.40 2k14 s GLU 38 Ca 0.00 -0.81 -0.08 0.00 0.02 0.00 0.00 54.97 54.10 2k14 s GLU 38 Cb 0.00 0.23 -0.00 0.00 0.10 0.00 0.00 34.13 34.46 2k14 s GLU 38 CO 0.00 -0.15 0.17 0.54 0.02 0.00 0.00 175.26 175.84 2k14 s VAL 39 N -2.77 0.14 0.04 2.63 0.11 -0.22 -0.99 120.40 119.33 2k14 s VAL 39 Ca -0.04 -1.14 0.05 0.00 -2.93 0.00 0.00 61.98 57.93 2k14 s VAL 39 Cb -0.00 -1.20 -0.02 0.00 -1.53 0.00 0.00 36.38 33.63 2k14 s VAL 39 CO -0.05 -0.63 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.24 2k14 s VAL 40 N -3.39 1.24 0.49 2.04 1.01 -0.41 -0.60 120.40 120.77 2k14 s VAL 40 Ca 0.01 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 60.76 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 -0.08 0.07 1.11 -0.63 0.00 0.00 0.00 175.10 175.57 2k14 s ILE 41 N -0.80 3.37 -0.33 2.22 -1.09 -1.26 -0.21 121.20 123.09 2k14 s ILE 41 Ca 0.03 0.92 0.16 0.00 -2.23 0.00 0.00 60.65 59.53 2k14 s ILE 41 Cb -0.08 -3.41 0.16 0.00 -1.58 0.00 0.00 42.46 37.55 2k14 s ILE 41 CO 0.01 -0.11 1.47 -0.62 -1.23 0.00 0.00 174.94 174.45 2k14 n GLU 42 N -0.84 0.10 -0.36 2.79 -0.58 -0.53 -3.21 120.64 118.01 2k14 n GLU 42 Ca 0.09 0.59 -0.01 0.00 -0.42 0.00 0.00 57.16 57.42 2k14 n GLU 42 Cb 0.50 -1.88 -0.01 0.00 -0.57 0.00 0.00 31.44 29.48 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 -1.33 1.88 0.39 0.62 0.00 -1.26 -4.76 105.19 100.73 2k14 n GLY 43 Ca -0.01 -0.06 0.16 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 1.41 0.11 0.00 -0.61 -0.00 -1.90 0.65 117.51 117.16 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 0.70 0.39 0.00 0.00 -0.00 0.00 0.00 36.82 37.91 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 -3.39 103.07 97.93 2k14 h GLY 45 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 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 -0.50 1.00 3.66 4.60 0.00 0.09 -5.14 105.19 108.90 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 1.85 -0.02 2.61 -4.23 -0.43 -5.09 115.64 110.33 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 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.30 2k14 s THR 47 CO 0.00 0.00 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.31 2k14 s ILE 48 N -3.05 1.12 0.57 2.99 1.01 -1.26 -4.91 121.20 117.67 2k14 s ILE 48 Ca 0.68 -0.58 -0.19 0.00 0.00 0.00 0.00 60.65 60.56 2k14 s ILE 48 Cb -0.14 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 2k14 s ILE 48 CO 0.56 0.33 1.20 -0.44 0.00 0.00 0.00 174.94 176.59 2k14 s SER 49 N -0.11 5.36 0.07 3.58 0.01 -1.26 -4.41 113.70 116.94 2k14 s SER 49 Ca 0.01 2.36 -0.04 0.00 1.31 0.00 0.00 55.95 59.59 2k14 s SER 49 Cb -0.08 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.53 2k14 s SER 49 CO 0.00 -1.47 0.06 -0.54 0.41 0.00 0.00 173.24 171.70 2k14 s LYS 50 N -3.26 0.70 0.57 12.44 -0.14 0.23 -5.00 119.74 125.28 2k14 s LYS 50 Ca 0.75 -1.10 -0.18 0.00 -1.36 0.00 0.00 55.97 54.08 2k14 s LYS 50 Cb -0.29 0.26 -0.05 0.00 -1.68 0.00 0.00 37.83 36.08 2k14 s LYS 50 CO 0.32 -0.17 1.12 -1.12 -0.76 0.00 0.00 175.35 174.73 2k14 s SER 51 N -2.87 5.62 0.00 2.83 0.01 -1.05 -1.06 113.70 117.18 2k14 s SER 51 Ca 0.06 2.10 -0.04 0.00 1.31 0.00 0.00 55.95 59.38 2k14 s SER 51 Cb 0.06 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.72 2k14 s SER 51 CO -0.10 -1.28 0.08 0.00 0.41 0.00 0.00 173.24 172.34 2k14 s ALA 52 N -1.95 -0.17 0.12 1.44 0.00 -0.07 -1.01 121.76 120.14 2k14 s ALA 52 Ca 0.71 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.53 2k14 s ALA 52 Cb -0.22 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2k14 s ALA 52 CO 0.30 -0.16 -0.14 0.14 0.00 0.00 0.00 175.76 175.90 2k14 s VAL 53 N -1.12 1.36 -0.21 0.00 -7.23 0.11 -1.05 120.40 112.26 2k14 s VAL 53 Ca -0.12 -1.73 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 2k14 s VAL 53 Cb -0.07 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.32 2k14 s VAL 53 CO 0.00 -0.41 1.15 -0.55 -0.31 0.00 0.00 175.10 174.98 2k14 s SER 54 N -2.46 7.00 0.28 4.85 0.15 -1.26 -1.19 113.70 121.07 2k14 s SER 54 Ca 0.09 1.48 0.26 0.00 0.70 0.00 0.00 55.95 58.48 2k14 s SER 54 Cb -0.05 -2.54 0.83 0.00 -1.71 0.00 0.00 66.02 62.55 2k14 s SER 54 CO 0.03 -0.74 1.75 0.15 1.20 0.00 0.00 173.24 175.63 2k14 h PHE 55 N 7.90 0.00 0.00 3.44 3.57 -1.39 -3.35 116.94 127.10 2k14 h PHE 55 Ca -0.23 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.27 2k14 h PHE 55 Cb 1.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2k14 h PHE 55 CO 0.78 0.00 -0.01 -3.47 -2.23 0.00 0.00 178.31 173.38 2k14 n ASP 56 N -2.44 2.06 -3.77 0.41 2.03 -1.26 -5.01 116.55 108.57 2k14 n ASP 56 Ca 0.04 -2.42 -0.26 0.00 0.52 0.00 0.00 54.79 52.67 2k14 n ASP 56 Cb 0.38 -0.18 0.04 0.00 -0.72 0.00 0.00 41.12 40.65 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 -0.86 -4.36 -4.70 1.67 4.05 -1.26 -5.01 115.26 104.79 2k14 n ASN 57 Ca 0.07 -0.72 -0.25 0.00 0.45 0.00 0.00 54.58 54.13 2k14 n ASN 57 Cb 0.42 -4.29 -0.07 0.00 1.23 0.00 0.00 39.78 37.08 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 -6.35 2.51 -1.00 1.20 -1.52 -1.26 -4.73 119.66 108.51 2k14 s GLN 58 Ca 0.48 -1.17 -0.12 0.00 -1.95 0.00 0.00 55.36 52.60 2k14 s GLN 58 Cb -0.23 -2.36 0.23 0.00 -0.22 0.00 0.00 33.01 30.43 2k14 s GLN 58 CO 0.80 0.42 1.02 -1.14 -0.25 0.00 0.00 175.29 176.13 2k14 s GLN 59 N -3.35 3.92 -0.77 2.91 0.74 -1.26 -2.79 119.66 119.06 2k14 s GLN 59 Ca 0.30 -2.74 -0.25 0.00 0.05 0.00 0.00 55.36 52.71 2k14 s GLN 59 Cb -0.08 -4.59 0.04 0.00 1.10 0.00 0.00 33.01 29.48 2k14 s GLN 59 CO 0.21 -1.36 1.24 0.42 -0.55 0.00 0.00 175.29 175.24 2k14 s ILE 60 N -0.09 3.89 1.00 -2.34 1.01 0.21 -4.91 121.20 119.97 2k14 s ILE 60 Ca 0.27 0.05 -0.13 0.00 0.00 0.00 0.00 60.65 60.85 2k14 s ILE 60 Cb -0.09 -4.89 0.19 0.00 0.01 0.00 0.00 42.46 37.68 2k14 s ILE 60 CO -0.08 -1.79 1.10 -0.55 0.00 0.00 0.00 174.94 173.63 2k14 s SER 61 N 3.89 2.63 0.40 3.58 0.15 -1.26 -0.81 113.70 122.28 2k14 s SER 61 Ca 0.34 1.11 -0.25 0.00 0.70 0.00 0.00 55.95 57.85 2k14 s SER 61 Cb -0.08 -1.75 -0.11 0.00 -1.71 0.00 0.00 66.02 62.37 2k14 s SER 61 CO 0.10 -3.12 1.10 0.00 1.20 0.00 0.00 173.24 172.53 2k14 n TYR 62 N -4.16 1.54 -2.38 3.44 9.36 -1.26 -4.00 117.16 119.70 2k14 n TYR 62 Ca 0.05 0.56 -0.06 0.00 3.32 0.00 0.00 57.90 61.77 2k14 n TYR 62 Cb 0.58 -2.29 0.01 0.00 -0.63 0.00 0.00 39.34 37.01 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 1.05 0.28 3.36 2.98 0.00 -0.19 -5.01 105.19 107.65 2k14 n GLY 63 Ca 0.08 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.60 1.97 -0.16 2.61 -1.32 -1.26 -4.97 115.64 109.91 2k14 s THR 64 Ca 0.06 -1.92 -0.17 0.00 -1.21 0.00 0.00 61.69 58.45 2k14 s THR 64 Cb -0.03 -1.90 -0.04 0.00 -1.51 0.00 0.00 72.50 69.02 2k14 s THR 64 CO 0.08 -0.24 0.46 -0.89 -2.21 0.00 0.00 174.62 171.82 2k14 s THR 65 N -1.87 5.18 0.04 5.08 2.01 -1.26 -2.22 115.64 122.60 2k14 s THR 65 Ca 0.16 0.87 0.06 0.00 0.31 0.00 0.00 61.69 63.09 2k14 s THR 65 Cb -0.07 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 2k14 s THR 65 CO 0.07 0.27 -0.17 0.68 -0.69 0.00 0.00 174.62 174.79 2k14 s VAL 66 N 1.06 1.33 -0.17 3.82 -7.23 -0.27 -1.52 120.40 117.42 2k14 s VAL 66 Ca 0.23 -1.06 -0.17 0.00 -1.81 0.00 0.00 61.98 59.17 2k14 s VAL 66 Cb -0.15 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 2k14 s VAL 66 CO 0.09 0.10 0.46 -0.22 -0.31 0.00 0.00 175.10 175.21 2k14 s LEU 67 N -1.12 4.20 -0.15 1.32 2.96 0.30 -0.08 118.68 126.11 2k14 s LEU 67 Ca 0.04 0.67 -0.29 0.00 -0.22 0.00 0.00 54.13 54.33 2k14 s LEU 67 Cb -0.08 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.96 2k14 s LEU 67 CO 0.01 -0.07 1.29 -0.69 -1.32 0.00 0.00 176.35 175.57 2k14 s VAL 68 N 1.11 4.23 -0.01 1.68 1.01 -1.12 -1.74 120.40 125.56 2k14 s VAL 68 Ca 0.23 1.49 0.04 0.00 0.00 0.00 0.00 61.98 63.74 2k14 s VAL 68 Cb -0.15 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 2k14 s VAL 68 CO 0.09 -0.12 0.09 1.33 0.00 0.00 0.00 175.10 176.49 2k14 n VAL 69 N 5.33 0.02 -3.83 2.92 0.24 0.05 -4.53 118.33 118.54 2k14 n VAL 69 Ca 0.14 -0.11 -0.10 0.00 -2.04 0.00 0.00 64.34 62.24 2k14 n VAL 69 Cb 0.45 0.31 -0.05 0.00 -1.47 0.00 0.00 33.84 33.08 2k14 n VAL 69 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k14 s ASP 70 N -2.58 -0.13 -0.11 -1.34 -1.08 -0.95 -5.02 116.67 105.47 2k14 s ASP 70 Ca -0.02 -0.64 -0.09 0.00 -0.52 0.00 0.00 52.55 51.28 2k14 s ASP 70 Cb 0.03 0.51 0.03 0.00 -1.46 0.00 0.00 42.92 42.03 2k14 s ASP 70 CO 0.18 -0.98 0.28 -0.63 0.52 0.00 0.00 175.17 174.55 2k14 s ILE 71 N -3.91 -0.00 -0.54 4.11 1.01 -1.26 -0.31 121.20 120.29 2k14 s ILE 71 Ca 0.12 0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.84 2k14 s ILE 71 Cb 0.01 -0.40 0.19 0.00 0.01 0.00 0.00 42.46 42.27 2k14 s ILE 71 CO -0.02 0.01 0.46 -3.20 0.00 0.00 0.00 174.94 172.19 2k14 n ASN 72 N 3.06 1.29 -1.48 3.58 5.15 -0.03 -4.97 115.26 121.86 2k14 n ASN 72 Ca -0.14 -2.83 -0.15 0.00 -0.60 0.00 0.00 54.58 50.86 2k14 n ASN 72 Cb 0.58 -0.65 -0.06 0.00 -0.53 0.00 0.00 39.78 39.12 2k14 n ASN 72 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2k14 n ASN 73 N 2.12 -3.95 0.00 1.20 3.02 -1.26 -1.43 115.26 114.95 2k14 n ASN 73 Ca 0.25 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 2k14 n ASN 73 Cb 0.43 -3.62 0.00 0.00 -0.61 0.00 0.00 39.78 35.98 2k14 n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k14 n GLY 74 N -0.30 1.24 3.32 7.41 0.00 -1.26 -5.05 105.19 110.55 2k14 n GLY 74 Ca -0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.66 5.31 0.41 1.61 1.01 -0.52 -2.52 120.40 125.04 2k14 s VAL 75 Ca 0.00 -1.74 -0.23 0.00 0.00 0.00 0.00 61.98 60.01 2k14 s VAL 75 Cb 0.00 -4.37 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 2k14 s VAL 75 CO 0.00 -0.91 1.00 -0.76 0.00 0.00 0.00 175.10 174.43 2k14 s LEU 76 N 1.25 4.06 -0.25 3.92 1.02 -0.18 -0.86 118.68 127.65 2k14 s LEU 76 Ca 0.07 1.89 -0.06 0.00 0.02 0.00 0.00 54.13 56.05 2k14 s LEU 76 Cb -0.25 -4.32 -0.01 0.00 0.02 0.00 0.00 46.19 41.62 2k14 s LEU 76 CO 0.00 -0.44 0.03 -0.44 0.02 0.00 0.00 176.35 175.52 2k14 s SER 77 N -1.82 4.83 0.19 2.29 0.01 0.57 -0.71 113.70 119.07 2k14 s SER 77 Ca 0.59 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 57.54 2k14 s SER 77 Cb -0.17 -1.85 -0.05 0.00 0.21 0.00 0.00 66.02 64.16 2k14 s SER 77 CO 0.21 -0.06 -0.06 0.68 0.41 0.00 0.00 173.24 174.43 2k14 s VAL 78 N 1.55 1.20 -0.05 3.43 -7.23 -0.33 -0.77 120.40 118.20 2k14 s VAL 78 Ca 0.06 -2.07 -0.05 0.00 -1.81 0.00 0.00 61.98 58.11 2k14 s VAL 78 Cb -0.15 -2.11 0.01 0.00 0.56 0.00 0.00 36.38 34.70 2k14 s VAL 78 CO 0.01 -0.53 0.13 0.28 -0.31 0.00 0.00 175.10 174.68 2k14 s THR 79 N -3.31 0.01 -0.86 5.32 -1.32 -0.71 -1.04 115.64 113.72 2k14 s THR 79 Ca 0.23 -0.05 -0.25 0.00 -1.21 0.00 0.00 61.69 60.41 2k14 s THR 79 Cb 0.04 -0.21 -0.03 0.00 -1.51 0.00 0.00 72.50 70.79 2k14 s THR 79 CO 0.05 -0.03 1.85 -2.16 -2.21 0.00 0.00 174.62 172.13 2k14 s PRO 80 N -0.03 2.71 0.28 7.08 0.04 -1.26 -0.54 135.00 143.28 2k14 s PRO 80 Ca -0.01 -0.24 0.01 0.00 0.04 0.00 0.00 61.00 60.80 2k14 s PRO 80 Cb -0.01 -4.96 0.40 0.00 0.04 0.00 0.00 34.50 29.96 2k14 s PRO 80 CO 0.00 -3.09 1.74 1.25 0.04 0.00 0.00 177.00 176.94 2k14 h HIS 81 N 11.67 0.63 -7.01 0.56 2.76 -1.83 -3.48 115.15 118.45 2k14 h HIS 81 Ca 0.04 -0.12 -0.60 0.00 -2.20 0.00 0.00 60.37 57.50 2k14 h HIS 81 Cb 1.03 -0.16 -0.13 0.00 1.55 0.00 0.00 27.41 29.70 2k14 h HIS 81 CO 1.19 0.71 -0.96 -1.91 -1.30 0.00 0.00 177.93 175.67 2k14 n GLU 82 N -4.16 -0.67 -1.48 5.26 2.13 -0.57 -4.95 120.64 116.20 2k14 n GLU 82 Ca 0.00 0.07 -0.33 0.00 0.66 0.00 0.00 57.16 57.57 2k14 n GLU 82 Cb 0.37 -3.04 0.08 0.00 0.27 0.00 0.00 31.44 29.11 2k14 n GLU 82 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2k14 s PRO 83 N -7.33 2.38 0.00 5.31 0.04 -1.26 -5.05 135.00 129.10 2k14 s PRO 83 Ca 0.18 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2k14 s PRO 83 Cb -0.10 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2k14 s PRO 83 CO 0.96 -1.58 0.13 -0.89 0.04 0.00 0.00 177.00 175.67