#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 -0.21 1.61 0.02 -2.06 -1.10 113.55 111.81 2k14 h SER 2 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2k14 h SER 2 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2k14 h SER 2 CO 0.00 0.00 0.14 1.12 -1.14 0.00 0.00 176.83 176.95 2k14 h HIS 3 N 0.00 0.16 -0.22 3.45 -0.00 -2.05 -0.20 115.15 116.28 2k14 h HIS 3 Ca 0.17 0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.35 2k14 h HIS 3 Cb 0.69 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.05 2k14 h HIS 3 CO 0.00 0.09 -0.61 0.52 -0.00 0.00 0.00 177.93 177.93 2k14 h MET 4 N 0.17 0.77 -0.27 5.12 0.00 -1.63 -1.34 114.93 117.74 2k14 h MET 4 Ca 0.09 -0.52 -0.12 0.00 0.00 0.00 0.00 59.70 59.14 2k14 h MET 4 Cb 0.14 0.08 -0.01 0.00 0.00 0.00 0.00 31.60 31.81 2k14 h MET 4 CO -0.01 1.15 -0.35 -0.07 0.00 0.00 0.00 176.91 177.63 2k14 h LEU 5 N 0.57 0.63 -0.60 1.22 3.38 -1.44 -0.88 115.31 118.19 2k14 h LEU 5 Ca -0.01 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 2k14 h LEU 5 Cb 1.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2k14 h LEU 5 CO 0.13 0.92 -0.30 -0.33 0.09 0.00 0.00 178.44 178.95 2k14 h GLU 6 N 0.51 0.78 -0.49 1.13 5.08 -1.08 -1.89 114.58 118.61 2k14 h GLU 6 Ca 0.05 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 2k14 h GLU 6 Cb 0.84 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2k14 h GLU 6 CO 0.07 0.98 0.10 0.77 -1.00 0.00 0.00 179.01 179.92 2k14 h SER 7 N 0.66 0.77 -0.25 1.42 0.02 -0.99 -0.68 113.55 114.49 2k14 h SER 7 Ca 0.07 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.67 2k14 h SER 7 Cb 0.84 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2k14 h SER 7 CO 0.07 0.82 -0.21 0.77 -1.14 0.00 0.00 176.83 177.14 2k14 h SER 8 N 0.68 0.72 -0.72 3.07 4.64 -1.17 -0.98 113.55 119.79 2k14 h SER 8 Ca 0.15 -0.25 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 2k14 h SER 8 Cb 0.37 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 2k14 h SER 8 CO 0.01 0.92 0.28 0.00 -0.87 0.00 0.00 176.83 177.16 2k14 h ALA 9 N 1.14 0.93 -0.55 5.18 0.00 -1.24 -0.64 119.26 124.08 2k14 h ALA 9 Ca 0.09 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2k14 h ALA 9 Cb 0.70 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2k14 h ALA 9 CO 0.05 0.56 0.08 1.49 0.00 0.00 0.00 179.25 181.44 2k14 h GLU 10 N 1.03 0.91 -0.20 0.00 4.81 -0.91 -1.11 114.58 119.11 2k14 h GLU 10 Ca 0.24 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 2k14 h GLU 10 Cb 0.23 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2k14 h GLU 10 CO -0.02 0.89 -0.23 0.93 -0.73 0.00 0.00 179.01 179.85 2k14 h GLU 11 N 0.80 0.37 -0.55 1.92 4.39 -1.07 0.34 114.58 120.77 2k14 h GLU 11 Ca 0.16 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 2k14 h GLU 11 Cb 0.42 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2k14 h GLU 11 CO 0.01 0.58 0.12 1.03 -1.16 0.00 0.00 179.01 179.60 2k14 h SER 12 N 0.33 0.85 -0.60 1.42 0.87 -0.92 -1.31 113.55 114.20 2k14 h SER 12 Ca 0.05 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.34 2k14 h SER 12 Cb 0.59 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 2k14 h SER 12 CO 0.04 0.87 0.22 0.25 -0.53 0.00 0.00 176.83 177.69 2k14 h LEU 13 N 0.79 0.84 -1.30 2.23 6.46 -0.88 -1.84 115.31 121.61 2k14 h LEU 13 Ca 0.17 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2k14 h LEU 13 Cb 0.36 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 2k14 h LEU 13 CO 0.00 0.79 0.41 0.00 -0.62 0.00 0.00 178.44 179.02 2k14 h ALA 14 N 1.08 1.48 -0.50 1.25 0.00 -0.76 0.11 119.26 121.91 2k14 h ALA 14 Ca 0.20 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2k14 h ALA 14 Cb 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2k14 h ALA 14 CO -0.01 0.46 0.02 -0.92 0.00 0.00 0.00 179.25 178.80 2k14 h TYR 15 N 0.90 0.95 -0.71 0.00 3.20 -0.94 -0.41 116.97 119.95 2k14 h TYR 15 Ca 0.24 -0.16 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2k14 h TYR 15 Cb -0.06 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 2k14 h TYR 15 CO 0.00 0.88 0.21 0.00 -1.64 0.00 0.00 178.16 177.61 2k14 h ARG 16 N 0.74 1.11 -0.68 1.82 3.08 -0.79 -2.88 114.38 116.78 2k14 h ARG 16 Ca 0.15 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 2k14 h ARG 16 Cb 0.48 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 2k14 h ARG 16 CO 0.02 0.95 0.16 1.49 -1.07 0.00 0.00 179.97 181.52 2k14 h GLU 17 N 1.06 1.09 0.00 0.04 4.81 -0.69 -2.85 114.58 118.04 2k14 h GLU 17 Ca 0.23 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2k14 h GLU 17 Cb 0.31 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 2k14 h GLU 17 CO -0.01 0.97 -0.06 0.22 -0.73 0.00 0.00 179.01 179.40 2k14 h ASP 18 N 1.04 0.00 0.11 1.04 3.58 -0.86 -0.83 116.42 120.49 2k14 h ASP 18 Ca 0.22 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.63 2k14 h ASP 18 Cb 0.37 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2k14 h ASP 18 CO 0.00 0.06 -0.14 -0.78 -2.88 0.00 0.00 179.24 175.51 2k14 h ASP 19 N 0.00 0.07 0.50 2.28 3.58 -1.36 -2.70 116.42 118.79 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 0.21 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2k14 h ASP 19 CO 0.01 0.21 0.00 0.18 -2.88 0.00 0.00 179.24 176.76 2k14 n LEU 20 N -4.34 0.43 0.14 2.28 4.77 -0.32 -3.16 117.00 116.80 2k14 n LEU 20 Ca -0.02 0.62 0.18 0.00 -0.03 0.00 0.00 56.01 56.76 2k14 n LEU 20 Cb 0.23 -0.59 0.77 0.00 -2.33 0.00 0.00 43.42 41.49 2k14 n LEU 20 CO 0.36 -0.54 1.16 -0.09 -1.33 0.00 0.00 177.39 176.95 2k14 h ARG 21 N 0.00 0.00 -0.42 3.23 2.43 -1.59 -1.58 114.38 116.45 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 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 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 -1.49 0.52 3.26 2.80 0.00 -1.19 -4.59 105.19 104.51 2k14 n GLY 22 Ca 0.04 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 1.09 0.56 1.61 0.52 -0.60 -5.09 118.95 115.39 2k14 s ARG 23 Ca 0.12 -1.44 -0.13 0.00 -0.52 0.00 0.00 55.73 53.77 2k14 s ARG 23 Cb 0.08 -0.73 -0.06 0.00 0.52 0.00 0.00 34.95 34.76 2k14 s ARG 23 CO 0.07 0.10 0.98 -0.51 0.02 0.00 0.00 175.30 175.96 2k14 s LEU 24 N -3.09 3.44 0.00 2.53 2.01 -1.26 -3.10 118.68 119.21 2k14 s LEU 24 Ca 0.16 1.42 0.03 0.00 0.01 0.00 0.00 54.13 55.76 2k14 s LEU 24 Cb 0.01 -4.42 -0.01 0.00 0.01 0.00 0.00 46.19 41.78 2k14 s LEU 24 CO 0.02 -0.72 0.12 0.61 1.01 0.00 0.00 176.35 177.39 2k14 n GLY 25 N -2.20 3.56 2.88 -3.19 0.00 0.81 -2.24 105.19 104.80 2k14 n GLY 25 Ca 0.06 -1.81 -0.16 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 -2.62 0.14 0.11 1.61 2.47 0.62 -1.02 119.74 121.04 2k14 s LYS 26 Ca 0.16 0.52 -0.30 0.00 -1.56 0.00 0.00 55.97 54.79 2k14 s LYS 26 Cb 0.01 -0.49 -0.07 0.00 -1.46 0.00 0.00 37.83 35.82 2k14 s LYS 26 CO 0.12 -0.42 1.21 0.08 0.16 0.00 0.00 175.35 176.50 2k14 s VAL 27 N 2.36 3.79 -0.04 4.02 1.01 -1.06 -1.62 120.40 128.86 2k14 s VAL 27 Ca 0.04 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.40 2k14 s VAL 27 Cb -0.13 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 2k14 s VAL 27 CO -0.09 0.15 0.05 2.30 0.00 0.00 0.00 175.10 177.51 2k14 n ILE 28 N 3.37 0.00 -4.05 2.22 -0.00 -0.07 -1.23 119.36 119.60 2k14 n ILE 28 Ca 0.07 -0.26 -0.20 0.00 -0.00 0.00 0.00 62.75 62.36 2k14 n ILE 28 Cb 0.45 0.74 -0.17 0.00 -0.00 0.00 0.00 39.64 40.67 2k14 n ILE 28 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 2k14 s THR 29 N -1.60 0.47 0.32 7.28 2.01 -1.04 -4.83 115.64 118.24 2k14 s THR 29 Ca 0.00 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.66 2k14 s THR 29 Cb 0.01 -0.53 -0.13 0.00 0.01 0.00 0.00 72.50 71.86 2k14 s THR 29 CO 0.06 0.22 1.29 0.00 -0.69 0.00 0.00 174.62 175.50 2k14 n ALA 30 N 4.28 1.12 -3.93 7.40 0.00 -1.26 -1.39 120.51 126.73 2k14 n ALA 30 Ca -0.21 0.37 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 2k14 n ALA 30 Cb 0.51 -2.24 -0.14 0.00 0.00 0.00 0.00 19.45 17.58 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 -0.88 2.70 0.95 0.00 1.01 -0.04 -3.51 120.40 120.63 2k14 s VAL 31 Ca 0.58 -2.80 -0.14 0.00 0.00 0.00 0.00 61.98 59.63 2k14 s VAL 31 Cb -0.60 -2.89 0.17 0.00 0.00 0.00 0.00 36.38 33.06 2k14 s VAL 31 CO 0.60 -0.73 1.17 -2.16 0.00 0.00 0.00 175.10 173.98 2k14 s PRO 32 N 0.31 0.77 0.64 2.72 0.04 -1.26 -0.64 135.00 137.58 2k14 s PRO 32 Ca 0.14 0.08 0.34 0.00 0.04 0.00 0.00 61.00 61.60 2k14 s PRO 32 Cb -0.22 -1.82 1.90 0.00 0.04 0.00 0.00 34.50 34.40 2k14 s PRO 32 CO -0.04 -2.41 2.13 -0.39 0.04 0.00 0.00 177.00 176.33 2k14 h VAL 33 N -1.65 0.17 -0.03 -0.36 -1.51 -1.82 -2.63 116.25 108.42 2k14 h VAL 33 Ca -0.48 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 64.82 2k14 h VAL 33 Cb 1.31 0.83 -0.32 0.00 -2.13 0.00 0.00 31.29 30.98 2k14 h VAL 33 CO 0.53 0.00 -0.84 -0.67 -1.23 0.00 0.00 177.57 175.36 2k14 n ASP 34 N -3.27 0.48 -0.46 4.19 2.03 -1.26 -4.34 116.55 113.92 2k14 n ASP 34 Ca -0.01 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.29 2k14 n ASP 34 Cb 0.27 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 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 4.62 3.17 0.27 0.00 -0.99 -5.10 105.19 107.41 2k14 n GLY 35 Ca -0.03 -1.52 -0.21 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.53 1.37 0.00 1.61 0.40 -1.26 -4.24 117.98 114.33 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 1.87 4.56 3.00 4.36 0.00 -0.29 -4.61 105.19 114.07 2k14 n GLY 37 Ca -0.18 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 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 2.58 0.32 0.05 1.61 8.01 -0.49 -0.58 118.70 130.20 2k14 s GLU 38 Ca 0.00 -0.50 0.00 0.00 0.01 0.00 0.00 54.97 54.49 2k14 s GLU 38 Cb 0.00 0.12 -0.03 0.00 -4.31 0.00 0.00 34.13 29.91 2k14 s GLU 38 CO 0.00 -0.06 -0.04 0.54 0.01 0.00 0.00 175.26 175.71 2k14 s VAL 39 N -1.29 0.34 0.06 2.63 0.11 -0.34 -0.89 120.40 121.02 2k14 s VAL 39 Ca -0.14 -1.51 0.06 0.00 -2.93 0.00 0.00 61.98 57.46 2k14 s VAL 39 Cb -0.08 -1.12 -0.03 0.00 -1.53 0.00 0.00 36.38 33.62 2k14 s VAL 39 CO -0.00 -0.76 -0.17 0.68 -3.33 0.00 0.00 175.10 171.52 2k14 s VAL 40 N -2.90 1.33 0.57 2.04 -7.23 -0.64 -0.84 120.40 112.73 2k14 s VAL 40 Ca 0.00 -1.20 -0.19 0.00 -1.81 0.00 0.00 61.98 58.78 2k14 s VAL 40 Cb 0.00 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 2k14 s VAL 40 CO -0.05 -0.01 1.17 -0.63 -0.31 0.00 0.00 175.10 175.26 2k14 s ILE 41 N -0.98 2.90 -0.92 -0.62 -1.09 -1.26 -0.28 121.20 118.94 2k14 s ILE 41 Ca 0.03 0.55 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 2k14 s ILE 41 Cb -0.09 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 2k14 s ILE 41 CO 0.02 -0.13 0.95 -0.62 -1.23 0.00 0.00 174.94 173.94 2k14 n GLU 42 N -1.50 0.00 -0.46 2.79 1.02 -0.95 -3.15 120.64 118.39 2k14 n GLU 42 Ca 0.13 0.45 -0.02 0.00 -0.02 0.00 0.00 57.16 57.70 2k14 n GLU 42 Cb 0.50 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 2k14 n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k14 n GLY 43 N -1.45 2.11 0.48 0.62 0.00 -1.26 -4.76 105.19 100.92 2k14 n GLY 43 Ca 0.00 -0.20 0.27 0.00 0.00 0.00 0.00 46.02 46.09 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 1.47 0.23 0.00 -0.61 -2.65 -1.90 0.71 117.51 114.76 2k14 h ILE 44 Ca 0.03 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.92 2k14 h ILE 44 Cb 0.83 0.36 0.00 0.00 -2.05 0.00 0.00 36.82 35.96 2k14 h ILE 44 CO 0.07 0.00 0.00 1.23 0.03 0.00 0.00 178.15 179.48 2k14 h GLY 45 N 0.00 0.00 0.00 0.16 0.00 -1.92 -3.38 103.07 97.94 2k14 h GLY 45 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 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 -0.53 1.00 3.63 4.60 0.00 0.10 -5.14 105.19 108.85 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 1.83 -0.08 2.61 -4.23 -0.35 -5.08 115.64 110.35 2k14 s THR 47 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 2k14 s THR 47 Cb 0.00 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.38 2k14 s THR 47 CO 0.00 0.00 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.33 2k14 s ILE 48 N -2.96 1.17 0.46 2.99 -1.09 -1.26 -4.93 121.20 115.58 2k14 s ILE 48 Ca 0.68 -0.47 -0.24 0.00 -2.23 0.00 0.00 60.65 58.39 2k14 s ILE 48 Cb -0.15 -1.09 -0.07 0.00 -1.58 0.00 0.00 42.46 39.57 2k14 s ILE 48 CO 0.57 0.37 1.24 -0.44 -1.23 0.00 0.00 174.94 175.45 2k14 s SER 49 N 0.87 6.06 0.06 3.58 0.01 -1.26 -4.59 113.70 118.43 2k14 s SER 49 Ca -0.10 2.49 0.01 0.00 1.31 0.00 0.00 55.95 59.66 2k14 s SER 49 Cb -0.15 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 2k14 s SER 49 CO 0.01 -1.00 -0.05 -0.54 0.41 0.00 0.00 173.24 172.07 2k14 s LYS 50 N -2.57 0.62 0.58 12.44 -0.14 -0.02 -4.98 119.74 125.66 2k14 s LYS 50 Ca 0.63 -1.07 -0.20 0.00 -1.36 0.00 0.00 55.97 53.97 2k14 s LYS 50 Cb -0.34 -0.04 -0.04 0.00 -1.68 0.00 0.00 37.83 35.73 2k14 s LYS 50 CO 0.41 -0.04 1.25 -1.12 -0.76 0.00 0.00 175.35 175.09 2k14 s SER 51 N -2.46 5.20 0.00 2.83 0.01 -0.96 -1.19 113.70 117.13 2k14 s SER 51 Ca 0.01 2.50 -0.02 0.00 1.31 0.00 0.00 55.95 59.75 2k14 s SER 51 Cb 0.01 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 2k14 s SER 51 CO -0.05 -1.59 0.03 0.00 0.41 0.00 0.00 173.24 172.04 2k14 s ALA 52 N -1.49 -0.04 0.14 1.44 0.00 0.25 -1.00 121.76 121.05 2k14 s ALA 52 Ca 0.76 -0.23 0.06 0.00 0.00 0.00 0.00 51.96 52.55 2k14 s ALA 52 Cb -0.33 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2k14 s ALA 52 CO 0.37 -0.11 -0.14 0.14 0.00 0.00 0.00 175.76 176.02 2k14 s VAL 53 N -0.84 1.39 -0.11 0.00 -7.23 -0.09 -1.14 120.40 112.38 2k14 s VAL 53 Ca -0.09 -1.82 -0.30 0.00 -1.81 0.00 0.00 61.98 57.97 2k14 s VAL 53 Cb -0.06 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.23 2k14 s VAL 53 CO -0.00 -0.46 1.09 -0.55 -0.31 0.00 0.00 175.10 174.86 2k14 s SER 54 N -2.63 7.15 0.19 4.85 0.15 -1.26 -0.99 113.70 121.16 2k14 s SER 54 Ca 0.11 1.60 0.26 0.00 0.70 0.00 0.00 55.95 58.63 2k14 s SER 54 Cb -0.04 -2.55 0.88 0.00 -1.71 0.00 0.00 66.02 62.60 2k14 s SER 54 CO 0.03 -0.54 1.78 0.33 1.20 0.00 0.00 173.24 176.05 2k14 n PHE 55 N 5.37 0.80 -0.88 3.44 7.35 -0.12 -4.14 117.46 129.27 2k14 n PHE 55 Ca 0.10 0.24 0.05 0.00 -0.76 0.00 0.00 57.45 57.08 2k14 n PHE 55 Cb 0.47 -0.89 0.07 0.00 0.35 0.00 0.00 39.48 39.48 2k14 n PHE 55 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2k14 n ASP 56 N -2.16 1.79 -4.07 -2.13 2.03 -1.26 -5.01 116.55 105.75 2k14 n ASP 56 Ca 0.05 -2.50 -0.30 0.00 0.52 0.00 0.00 54.79 52.57 2k14 n ASP 56 Cb 0.39 -0.25 -0.03 0.00 -0.72 0.00 0.00 41.12 40.52 2k14 n ASP 56 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k14 n ASN 57 N -0.89 -1.33 -4.79 1.67 4.13 -1.26 -5.01 115.26 107.78 2k14 n ASN 57 Ca 0.08 -1.02 -0.28 0.00 1.68 0.00 0.00 54.58 55.04 2k14 n ASN 57 Cb 0.53 -2.87 -0.06 0.00 -1.54 0.00 0.00 39.78 35.83 2k14 n ASN 57 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2k14 s GLN 58 N -6.74 2.89 -0.24 3.52 -1.52 -1.26 -4.70 119.66 111.60 2k14 s GLN 58 Ca 0.27 -0.79 -0.20 0.00 -1.95 0.00 0.00 55.36 52.69 2k14 s GLN 58 Cb -0.14 -2.68 -0.02 0.00 -0.22 0.00 0.00 33.01 29.94 2k14 s GLN 58 CO 0.91 0.52 0.61 -1.14 -0.25 0.00 0.00 175.29 175.94 2k14 s GLN 59 N -2.79 4.13 -0.49 2.91 -0.44 -1.26 -3.01 119.66 118.71 2k14 s GLN 59 Ca 0.30 0.53 0.03 0.00 -2.50 0.00 0.00 55.36 53.73 2k14 s GLN 59 Cb -0.11 -3.63 0.13 0.00 -1.64 0.00 0.00 33.01 27.76 2k14 s GLN 59 CO 0.23 -0.36 0.24 0.42 0.50 0.00 0.00 175.29 176.32 2k14 s ILE 60 N 2.32 2.28 1.06 -2.34 1.01 0.19 -4.98 121.20 120.73 2k14 s ILE 60 Ca 0.26 -3.06 -0.12 0.00 0.00 0.00 0.00 60.65 57.73 2k14 s ILE 60 Cb -0.16 -2.59 0.22 0.00 0.01 0.00 0.00 42.46 39.94 2k14 s ILE 60 CO 0.09 -0.80 1.07 -0.44 0.00 0.00 0.00 174.94 174.85 2k14 s SER 61 N -0.04 1.99 0.33 3.58 0.01 -1.26 -0.86 113.70 117.45 2k14 s SER 61 Ca 0.17 1.41 -0.27 0.00 1.31 0.00 0.00 55.95 58.57 2k14 s SER 61 Cb -0.25 -2.12 -0.13 0.00 0.21 0.00 0.00 66.02 63.73 2k14 s SER 61 CO -0.01 -3.56 0.95 0.00 0.41 0.00 0.00 173.24 171.03 2k14 n TYR 62 N -4.48 1.03 -2.33 2.43 4.19 -1.26 -4.00 117.16 112.74 2k14 n TYR 62 Ca 0.05 0.67 -0.01 0.00 3.31 0.00 0.00 57.90 61.91 2k14 n TYR 62 Cb 0.55 -2.21 0.00 0.00 0.49 0.00 0.00 39.34 38.17 2k14 n TYR 62 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2k14 n GLY 63 N 1.28 0.64 3.23 2.98 0.00 -0.36 -5.01 105.19 107.95 2k14 n GLY 63 Ca 0.10 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 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 1.26 -0.13 2.61 -1.32 -1.26 -5.00 115.64 109.21 2k14 s THR 64 Ca 0.02 -1.69 -0.18 0.00 -1.21 0.00 0.00 61.69 58.62 2k14 s THR 64 Cb -0.01 -1.49 -0.04 0.00 -1.51 0.00 0.00 72.50 69.45 2k14 s THR 64 CO 0.02 -0.43 0.48 -0.89 -2.21 0.00 0.00 174.62 171.59 2k14 s THR 65 N -2.16 5.18 0.03 5.08 2.01 -1.26 -2.56 115.64 121.96 2k14 s THR 65 Ca 0.08 0.95 0.05 0.00 0.31 0.00 0.00 61.69 63.08 2k14 s THR 65 Cb -0.05 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 2k14 s THR 65 CO 0.03 0.30 -0.14 0.68 -0.69 0.00 0.00 174.62 174.80 2k14 s VAL 66 N 0.77 1.10 -0.15 3.82 -7.23 -0.19 -1.49 120.40 117.02 2k14 s VAL 66 Ca 0.26 -0.96 -0.17 0.00 -1.81 0.00 0.00 61.98 59.29 2k14 s VAL 66 Cb -0.15 -0.99 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 2k14 s VAL 66 CO 0.10 0.02 0.44 -0.22 -0.31 0.00 0.00 175.10 175.14 2k14 s LEU 67 N -1.07 4.23 -1.33 1.32 2.96 0.15 -0.14 118.68 124.80 2k14 s LEU 67 Ca 0.02 0.70 -0.15 0.00 -0.22 0.00 0.00 54.13 54.47 2k14 s LEU 67 Cb -0.08 -2.62 0.09 0.00 0.50 0.00 0.00 46.19 44.09 2k14 s LEU 67 CO 0.01 -0.02 1.84 0.52 -1.32 0.00 0.00 176.35 177.37 2k14 n VAL 68 N 3.90 3.91 0.25 1.68 0.31 -1.18 -1.96 118.33 125.24 2k14 n VAL 68 Ca -0.08 -3.95 0.14 0.00 -0.01 0.00 0.00 64.34 60.45 2k14 n VAL 68 Cb 0.51 -2.44 0.61 0.00 -0.91 0.00 0.00 33.84 31.62 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 4.81 0.30 -3.87 2.52 -1.51 -1.47 -3.40 116.25 113.63 2k14 h VAL 69 Ca 0.45 -0.75 -0.10 0.00 -1.23 0.00 0.00 66.70 65.08 2k14 h VAL 69 Cb 0.78 1.58 -0.14 0.00 -2.13 0.00 0.00 31.29 31.39 2k14 h VAL 69 CO 1.56 0.11 -0.37 -0.62 -1.23 0.00 0.00 177.57 177.01 2k14 s ASP 70 N -5.94 0.11 -0.11 4.19 -1.08 -0.82 -5.02 116.67 108.01 2k14 s ASP 70 Ca 0.00 -0.75 -0.06 0.00 -0.52 0.00 0.00 52.55 51.22 2k14 s ASP 70 Cb 0.10 0.37 0.04 0.00 -1.46 0.00 0.00 42.92 41.97 2k14 s ASP 70 CO 0.58 -0.78 0.26 -0.63 0.52 0.00 0.00 175.17 175.12 2k14 s ILE 71 N -3.90 -0.03 -0.36 4.11 1.01 -1.26 -0.38 121.20 120.38 2k14 s ILE 71 Ca 0.10 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.87 2k14 s ILE 71 Cb 0.05 -0.39 0.15 0.00 0.01 0.00 0.00 42.46 42.27 2k14 s ILE 71 CO -0.07 0.04 0.31 0.21 0.00 0.00 0.00 174.94 175.44 2k14 s ASN 72 N 0.97 1.85 -1.40 3.58 3.84 -0.45 -4.98 114.94 118.34 2k14 s ASN 72 Ca -0.07 -1.81 -0.15 0.00 0.21 0.00 0.00 52.86 51.04 2k14 s ASN 72 Cb -0.08 0.20 0.02 0.00 -0.55 0.00 0.00 41.25 40.84 2k14 s ASN 72 CO -0.06 -0.28 0.31 -3.20 -2.79 0.00 0.00 177.10 171.08 2k14 n ASN 73 N 4.17 -1.27 0.00 -4.21 5.15 -1.26 -1.08 115.26 116.75 2k14 n ASN 73 Ca 0.11 -1.28 0.00 0.00 -0.60 0.00 0.00 54.58 52.82 2k14 n ASN 73 Cb 0.42 -1.69 0.00 0.00 -0.53 0.00 0.00 39.78 37.98 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 -2.35 0.28 3.06 8.20 0.00 -1.26 -5.03 105.19 108.08 2k14 n GLY 74 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.06 2.86 0.36 1.61 1.01 -0.25 -2.28 120.40 121.66 2k14 s VAL 75 Ca 0.00 -2.46 -0.23 0.00 0.00 0.00 0.00 61.98 59.29 2k14 s VAL 75 Cb 0.00 -3.00 -0.10 0.00 0.00 0.00 0.00 36.38 33.28 2k14 s VAL 75 CO 0.00 -0.70 0.92 -0.76 0.00 0.00 0.00 175.10 174.57 2k14 s LEU 76 N 0.70 4.16 -0.20 3.92 1.02 -0.17 -1.34 118.68 126.77 2k14 s LEU 76 Ca 0.12 1.72 -0.04 0.00 0.02 0.00 0.00 54.13 55.95 2k14 s LEU 76 Cb -0.21 -4.22 -0.01 0.00 0.02 0.00 0.00 46.19 41.77 2k14 s LEU 76 CO -0.05 -0.19 -0.05 -0.44 0.02 0.00 0.00 176.35 175.64 2k14 s SER 77 N -1.89 4.39 0.20 2.29 0.01 0.49 -0.91 113.70 118.28 2k14 s SER 77 Ca 0.55 -0.33 0.04 0.00 1.31 0.00 0.00 55.95 57.52 2k14 s SER 77 Cb -0.14 -1.74 -0.05 0.00 0.21 0.00 0.00 66.02 64.30 2k14 s SER 77 CO 0.19 0.03 -0.04 0.68 0.41 0.00 0.00 173.24 174.51 2k14 s VAL 78 N 1.16 1.08 -0.09 3.43 -7.23 -0.16 -1.35 120.40 117.23 2k14 s VAL 78 Ca 0.02 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 58.04 2k14 s VAL 78 Cb -0.14 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.65 2k14 s VAL 78 CO -0.01 -0.47 0.28 0.28 -0.31 0.00 0.00 175.10 174.87 2k14 s THR 79 N -3.39 0.01 -0.89 5.32 -1.32 -0.83 -0.95 115.64 113.60 2k14 s THR 79 Ca 0.24 -0.07 -0.25 0.00 -1.21 0.00 0.00 61.69 60.41 2k14 s THR 79 Cb 0.05 -0.42 -0.03 0.00 -1.51 0.00 0.00 72.50 70.59 2k14 s THR 79 CO 0.06 -0.04 1.84 -2.16 -2.21 0.00 0.00 174.62 172.11 2k14 s PRO 80 N -0.05 2.75 0.31 7.08 0.04 -1.26 -0.68 135.00 143.19 2k14 s PRO 80 Ca -0.02 -0.33 0.02 0.00 0.04 0.00 0.00 61.00 60.71 2k14 s PRO 80 Cb -0.02 -5.02 0.50 0.00 0.04 0.00 0.00 34.50 30.00 2k14 s PRO 80 CO 0.01 -3.09 1.83 1.25 0.04 0.00 0.00 177.00 177.03 2k14 h HIS 81 N 11.39 0.63 -6.99 0.56 2.76 -1.84 -3.48 115.15 118.19 2k14 h HIS 81 Ca 0.07 -0.08 -0.59 0.00 -2.20 0.00 0.00 60.37 57.58 2k14 h HIS 81 Cb 1.02 -0.18 -0.13 0.00 1.55 0.00 0.00 27.41 29.67 2k14 h HIS 81 CO 1.21 0.62 -0.94 -1.91 -1.30 0.00 0.00 177.93 175.61 2k14 n GLU 82 N -4.25 -0.68 -1.40 5.26 2.13 -0.56 -4.95 120.64 116.20 2k14 n GLU 82 Ca 0.02 0.06 -0.32 0.00 0.66 0.00 0.00 57.16 57.58 2k14 n GLU 82 Cb 0.27 -2.99 0.08 0.00 0.27 0.00 0.00 31.44 29.08 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 -7.25 2.28 0.00 5.31 0.04 -1.26 -5.04 135.00 129.08 2k14 s PRO 83 Ca 0.17 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2k14 s PRO 83 Cb -0.10 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2k14 s PRO 83 CO 0.94 -1.65 0.15 -0.89 0.04 0.00 0.00 177.00 175.59