#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 0.39 0.18 1.61 4.64 -2.06 -1.57 113.55 116.73 2k14 h SER 2 Ca 0.00 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 2k14 h SER 2 Cb 0.00 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2k14 h SER 2 CO 0.00 0.22 -0.13 0.45 -0.87 0.00 0.00 176.83 176.50 2k14 h HIS 3 N 0.42 0.00 -0.15 4.77 -0.00 -2.05 -0.35 115.15 117.79 2k14 h HIS 3 Ca 0.31 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.50 2k14 h HIS 3 Cb 0.62 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.03 2k14 h HIS 3 CO -0.00 0.13 -0.64 0.52 -0.00 0.00 0.00 177.93 177.94 2k14 h MET 4 N 0.00 0.55 -0.46 2.45 0.00 -1.72 -1.00 114.93 114.75 2k14 h MET 4 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 59.70 59.17 2k14 h MET 4 Cb 0.26 0.06 -0.01 0.00 0.00 0.00 0.00 31.60 31.91 2k14 h MET 4 CO 0.02 1.01 -0.26 -0.07 0.00 0.00 0.00 176.91 177.61 2k14 h LEU 5 N 0.40 1.02 -0.67 1.22 3.38 -1.37 -0.77 115.31 118.52 2k14 h LEU 5 Ca -0.01 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 2k14 h LEU 5 Cb 1.21 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 2k14 h LEU 5 CO 0.12 1.21 0.23 -0.33 0.09 0.00 0.00 178.44 179.77 2k14 h GLU 6 N 0.84 1.02 -0.69 1.13 5.08 -1.08 -0.71 114.58 120.17 2k14 h GLU 6 Ca 0.10 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2k14 h GLU 6 Cb 0.85 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2k14 h GLU 6 CO 0.07 0.88 0.37 1.03 -1.00 0.00 0.00 179.01 180.36 2k14 h SER 7 N 0.96 0.87 -0.69 1.42 0.87 -1.08 -0.75 113.55 115.15 2k14 h SER 7 Ca 0.22 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 2k14 h SER 7 Cb 0.26 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 2k14 h SER 7 CO -0.01 0.72 0.29 -1.28 -0.53 0.00 0.00 176.83 176.01 2k14 h SER 8 N 0.95 0.95 -0.68 6.23 0.87 -0.89 -0.45 113.55 120.52 2k14 h SER 8 Ca 0.24 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 2k14 h SER 8 Cb 0.05 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 2k14 h SER 8 CO -0.04 0.85 0.18 0.00 -0.53 0.00 0.00 176.83 177.29 2k14 h ALA 9 N 1.13 0.90 -0.59 6.23 0.00 -0.96 -0.82 119.26 125.16 2k14 h ALA 9 Ca 0.23 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2k14 h ALA 9 Cb 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2k14 h ALA 9 CO -0.02 0.61 0.05 1.49 0.00 0.00 0.00 179.25 181.38 2k14 h GLU 10 N 1.02 1.01 -0.37 0.00 4.81 -0.83 -0.65 114.58 119.57 2k14 h GLU 10 Ca 0.22 -0.30 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 2k14 h GLU 10 Cb 0.35 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2k14 h GLU 10 CO 0.00 0.97 -0.09 0.93 -0.73 0.00 0.00 179.01 180.09 2k14 h GLU 11 N 0.90 0.63 -0.54 1.92 5.08 -1.00 -0.55 114.58 121.02 2k14 h GLU 11 Ca 0.17 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2k14 h GLU 11 Cb 0.49 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2k14 h GLU 11 CO 0.02 0.71 -0.02 0.77 -1.00 0.00 0.00 179.01 179.49 2k14 h SER 12 N 0.58 0.93 -0.47 1.42 0.02 -0.90 -1.40 113.55 113.72 2k14 h SER 12 Ca 0.11 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.74 2k14 h SER 12 Cb 0.51 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2k14 h SER 12 CO 0.03 0.99 0.06 0.25 -1.14 0.00 0.00 176.83 177.03 2k14 h LEU 13 N 0.87 0.76 -1.34 5.07 6.46 -0.86 -1.35 115.31 124.92 2k14 h LEU 13 Ca 0.16 -0.27 0.02 0.00 -0.12 0.00 0.00 57.88 57.67 2k14 h LEU 13 Cb 0.54 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.23 2k14 h LEU 13 CO 0.03 0.84 0.46 0.00 -0.62 0.00 0.00 178.44 179.15 2k14 h ALA 14 N 0.95 1.56 -0.39 1.25 0.00 -0.92 0.57 119.26 122.29 2k14 h ALA 14 Ca 0.14 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2k14 h ALA 14 Cb 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k14 h ALA 14 CO 0.01 0.38 -0.03 -0.92 0.00 0.00 0.00 179.25 178.69 2k14 h TYR 15 N 0.88 0.78 -0.90 0.00 3.20 -1.01 -0.73 116.97 119.19 2k14 h TYR 15 Ca 0.27 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 2k14 h TYR 15 Cb 0.00 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.03 2k14 h TYR 15 CO -0.00 0.81 0.55 0.00 -1.64 0.00 0.00 178.16 177.88 2k14 h ARG 16 N 0.53 1.22 -0.34 1.82 3.08 -0.58 -0.90 114.38 119.20 2k14 h ARG 16 Ca 0.11 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 2k14 h ARG 16 Cb 0.52 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2k14 h ARG 16 CO 0.03 0.84 -0.05 1.49 -1.07 0.00 0.00 179.97 181.21 2k14 h GLU 17 N 1.24 0.63 0.00 0.04 4.57 -0.84 -3.06 114.58 117.16 2k14 h GLU 17 Ca 0.32 -0.22 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 2k14 h GLU 17 Cb -0.07 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 2k14 h GLU 17 CO -0.06 0.78 -0.23 0.22 -1.18 0.00 0.00 179.01 178.54 2k14 h ASP 18 N 0.42 0.00 -0.02 1.04 3.58 -0.89 -2.09 116.42 118.47 2k14 h ASP 18 Ca 0.09 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 2k14 h ASP 18 Cb 0.53 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 2k14 h ASP 18 CO 0.03 0.23 -0.00 -0.78 -2.88 0.00 0.00 179.24 175.83 2k14 h ASP 19 N 0.00 0.05 0.26 2.28 3.58 -1.07 -2.08 116.42 119.45 2k14 h ASP 19 Ca -0.00 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k14 h ASP 19 Cb 0.41 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.45 2k14 h ASP 19 CO 0.03 0.07 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.38 2k14 h LEU 20 N 0.06 0.00 0.00 2.28 3.38 -1.35 -1.79 115.31 117.88 2k14 h LEU 20 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k14 h LEU 20 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2k14 h LEU 20 CO 0.00 0.01 0.00 -1.14 0.09 0.00 0.00 178.44 177.40 2k14 n ARG 21 N -3.15 0.21 -0.37 1.13 0.63 -0.78 -1.81 116.66 112.52 2k14 n ARG 21 Ca -0.02 0.12 0.07 0.00 -0.92 0.00 0.00 57.85 57.09 2k14 n ARG 21 Cb 0.13 -1.50 0.19 0.00 0.45 0.00 0.00 32.46 31.74 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 -0.42 4.69 3.23 5.14 0.00 -0.67 -4.62 105.19 112.54 2k14 n GLY 22 Ca 0.06 -1.15 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.98 1.00 0.46 1.61 0.52 -0.75 -5.08 118.95 113.74 2k14 s ARG 23 Ca 0.38 -1.32 -0.10 0.00 -0.52 0.00 0.00 55.73 54.16 2k14 s ARG 23 Cb 0.33 -0.68 -0.06 0.00 0.52 0.00 0.00 34.95 35.06 2k14 s ARG 23 CO 0.03 0.10 0.84 -0.51 0.02 0.00 0.00 175.30 175.78 2k14 s LEU 24 N -2.80 3.68 0.00 2.53 2.01 -1.26 -2.50 118.68 120.34 2k14 s LEU 24 Ca 0.12 1.18 0.01 0.00 0.01 0.00 0.00 54.13 55.45 2k14 s LEU 24 Cb -0.01 -4.11 -0.00 0.00 0.01 0.00 0.00 46.19 42.08 2k14 s LEU 24 CO 0.01 -0.53 0.08 0.61 1.01 0.00 0.00 176.35 177.54 2k14 n GLY 25 N -1.74 3.52 2.79 -3.19 0.00 0.88 -1.80 105.19 105.64 2k14 n GLY 25 Ca 0.03 -1.63 -0.18 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.28 0.05 0.00 1.61 2.47 0.82 -1.12 119.74 121.30 2k14 s LYS 26 Ca 0.09 0.43 -0.30 0.00 -1.56 0.00 0.00 55.97 54.62 2k14 s LYS 26 Cb 0.00 -0.59 -0.05 0.00 -1.46 0.00 0.00 37.83 35.73 2k14 s LYS 26 CO 0.06 -0.40 1.32 0.08 0.16 0.00 0.00 175.35 176.57 2k14 s VAL 27 N 2.28 3.88 -0.25 4.02 1.01 -1.05 -1.32 120.40 128.95 2k14 s VAL 27 Ca 0.04 1.27 0.06 0.00 0.00 0.00 0.00 61.98 63.34 2k14 s VAL 27 Cb -0.13 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 2k14 s VAL 27 CO -0.07 0.02 0.23 2.30 0.00 0.00 0.00 175.10 177.58 2k14 n ILE 28 N 4.50 0.00 -3.73 2.22 -0.00 -0.21 -1.14 119.36 120.99 2k14 n ILE 28 Ca 0.12 -0.36 -0.16 0.00 -0.00 0.00 0.00 62.75 62.35 2k14 n ILE 28 Cb 0.45 0.98 -0.16 0.00 -0.00 0.00 0.00 39.64 40.91 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 -1.55 -0.10 0.41 7.28 2.01 -1.14 -4.92 115.64 117.63 2k14 s THR 29 Ca 0.02 0.27 -0.26 0.00 0.31 0.00 0.00 61.69 62.03 2k14 s THR 29 Cb 0.04 -0.17 -0.10 0.00 0.01 0.00 0.00 72.50 72.28 2k14 s THR 29 CO 0.23 0.11 1.22 0.00 -0.69 0.00 0.00 174.62 175.49 2k14 n ALA 30 N 4.58 1.07 -3.96 7.40 0.00 -1.26 -1.19 120.51 127.15 2k14 n ALA 30 Ca -0.19 0.27 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 2k14 n ALA 30 Cb 0.50 -2.23 -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 -1.19 2.36 0.98 0.00 1.01 -0.02 -3.57 120.40 119.97 2k14 s VAL 31 Ca 0.61 -2.87 -0.13 0.00 0.00 0.00 0.00 61.98 59.59 2k14 s VAL 31 Cb -0.53 -2.68 0.18 0.00 0.00 0.00 0.00 36.38 33.35 2k14 s VAL 31 CO 0.58 -0.73 1.12 -2.16 0.00 0.00 0.00 175.10 173.91 2k14 s PRO 32 N 0.23 0.55 0.65 2.72 0.04 -1.26 -0.51 135.00 137.42 2k14 s PRO 32 Ca 0.15 0.33 0.36 0.00 0.04 0.00 0.00 61.00 61.87 2k14 s PRO 32 Cb -0.23 -1.77 1.96 0.00 0.04 0.00 0.00 34.50 34.51 2k14 s PRO 32 CO -0.04 -2.61 2.15 -0.39 0.04 0.00 0.00 177.00 176.15 2k14 h VAL 33 N -1.80 0.11 -0.03 -0.36 -1.51 -1.79 -2.55 116.25 108.32 2k14 h VAL 33 Ca -0.52 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 64.78 2k14 h VAL 33 Cb 1.33 0.84 -0.33 0.00 -2.13 0.00 0.00 31.29 31.00 2k14 h VAL 33 CO 0.57 0.00 -0.86 -0.67 -1.23 0.00 0.00 177.57 175.38 2k14 n ASP 34 N -3.18 0.53 -0.27 4.19 2.03 -1.26 -4.37 116.55 114.22 2k14 n ASP 34 Ca -0.02 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.29 2k14 n ASP 34 Cb 0.24 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 0.25 4.75 3.17 0.27 0.00 -0.96 -5.11 105.19 107.57 2k14 n GLY 35 Ca -0.02 -1.44 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.46 1.37 0.00 1.61 0.40 -1.26 -4.27 117.98 114.36 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 1.84 4.75 3.05 4.36 0.00 -0.17 -4.62 105.19 114.40 2k14 n GLY 37 Ca -0.18 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 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 4.36 0.40 0.04 1.61 2.02 -0.33 -0.90 118.70 125.90 2k14 s GLU 38 Ca 0.00 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 54.55 2k14 s GLU 38 Cb 0.00 0.16 -0.03 0.00 0.10 0.00 0.00 34.13 34.36 2k14 s GLU 38 CO 0.00 -0.09 -0.05 0.54 0.02 0.00 0.00 175.26 175.68 2k14 s VAL 39 N -1.33 0.37 0.04 2.63 0.11 -0.19 -1.04 120.40 120.98 2k14 s VAL 39 Ca -0.14 -1.16 0.05 0.00 -2.93 0.00 0.00 61.98 57.80 2k14 s VAL 39 Cb -0.08 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.09 2k14 s VAL 39 CO 0.01 -0.52 -0.15 0.54 -3.33 0.00 0.00 175.10 171.65 2k14 s VAL 40 N -1.83 1.15 0.49 2.04 0.11 -0.44 -0.54 120.40 121.38 2k14 s VAL 40 Ca -0.09 -0.99 -0.21 0.00 -2.93 0.00 0.00 61.98 57.77 2k14 s VAL 40 Cb -0.07 -1.03 -0.07 0.00 -1.53 0.00 0.00 36.38 33.67 2k14 s VAL 40 CO -0.01 0.04 1.11 -0.63 -3.33 0.00 0.00 175.10 172.27 2k14 s ILE 41 N -0.81 3.34 0.58 7.04 -1.09 -1.26 -0.13 121.20 128.88 2k14 s ILE 41 Ca 0.02 0.90 0.20 0.00 -2.23 0.00 0.00 60.65 59.54 2k14 s ILE 41 Cb -0.08 -3.40 0.20 0.00 -1.58 0.00 0.00 42.46 37.61 2k14 s ILE 41 CO 0.01 -0.12 1.61 -0.33 -1.23 0.00 0.00 174.94 174.88 2k14 h GLU 42 N 1.63 0.00 -2.00 2.79 4.39 -1.66 -2.65 114.58 117.08 2k14 h GLU 42 Ca -0.50 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.20 2k14 h GLU 42 Cb 1.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2k14 h GLU 42 CO 0.59 0.00 -0.01 0.41 -1.16 0.00 0.00 179.01 178.84 2k14 n GLY 43 N -1.29 2.26 0.55 -3.84 0.00 -1.26 -4.78 105.19 96.82 2k14 n GLY 43 Ca -0.01 -0.03 0.33 0.00 0.00 0.00 0.00 46.02 46.31 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 1.15 0.11 0.00 -0.61 -0.00 -1.82 0.77 117.51 117.11 2k14 h ILE 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 2k14 h ILE 44 Cb 0.88 0.16 0.00 0.00 -0.00 0.00 0.00 36.82 37.86 2k14 h ILE 44 CO 0.01 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.77 2k14 n GLY 45 N -1.73 -1.42 0.00 0.16 0.00 -1.26 -4.34 105.19 96.59 2k14 n GLY 45 Ca 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2k14 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k14 n GLY 46 N 0.98 0.15 3.65 -0.02 0.00 0.12 -5.11 105.19 104.96 2k14 n GLY 46 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 1.62 -0.05 2.61 -4.23 -0.37 -5.10 115.64 110.12 2k14 s THR 47 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.54 2k14 s THR 47 Cb 0.00 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.25 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 -3.20 1.16 0.53 2.99 -1.09 -1.26 -4.90 121.20 115.42 2k14 s ILE 48 Ca 0.73 -0.54 -0.20 0.00 -2.23 0.00 0.00 60.65 58.41 2k14 s ILE 48 Cb -0.07 -1.02 -0.06 0.00 -1.58 0.00 0.00 42.46 39.72 2k14 s ILE 48 CO 0.55 0.35 1.11 -0.94 -1.23 0.00 0.00 174.94 174.79 2k14 s SER 49 N 0.32 5.87 0.05 3.58 1.04 -1.26 -4.43 113.70 118.88 2k14 s SER 49 Ca -0.08 2.14 -0.03 0.00 0.48 0.00 0.00 55.95 58.46 2k14 s SER 49 Cb -0.12 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 2k14 s SER 49 CO 0.02 -1.11 0.03 -0.54 0.98 0.00 0.00 173.24 172.62 2k14 s LYS 50 N -3.23 0.63 0.60 4.02 -0.14 0.30 -4.99 119.74 116.93 2k14 s LYS 50 Ca 0.71 -1.06 -0.18 0.00 -1.36 0.00 0.00 55.97 54.08 2k14 s LYS 50 Cb -0.23 0.23 -0.03 0.00 -1.68 0.00 0.00 37.83 36.13 2k14 s LYS 50 CO 0.26 -0.14 1.19 -1.12 -0.76 0.00 0.00 175.35 174.77 2k14 s SER 51 N -2.70 5.17 -0.01 2.83 0.01 -1.13 -1.02 113.70 116.86 2k14 s SER 51 Ca 0.03 2.32 -0.06 0.00 1.31 0.00 0.00 55.95 59.56 2k14 s SER 51 Cb 0.05 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2k14 s SER 51 CO -0.09 -1.60 0.11 0.00 0.41 0.00 0.00 173.24 172.07 2k14 s ALA 52 N -1.72 -0.26 0.13 1.44 0.00 -0.08 -0.98 121.76 120.30 2k14 s ALA 52 Ca 0.76 -0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.69 2k14 s ALA 52 Cb -0.28 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 2k14 s ALA 52 CO 0.34 -0.17 -0.14 0.14 0.00 0.00 0.00 175.76 175.93 2k14 s VAL 53 N -1.06 1.36 -0.14 0.00 -7.23 0.01 -1.00 120.40 112.34 2k14 s VAL 53 Ca -0.12 -1.79 -0.29 0.00 -1.81 0.00 0.00 61.98 57.97 2k14 s VAL 53 Cb -0.06 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.26 2k14 s VAL 53 CO 0.01 -0.46 1.04 -0.55 -0.31 0.00 0.00 175.10 174.83 2k14 s SER 54 N -2.59 7.18 0.08 4.85 0.15 -1.26 -1.17 113.70 120.94 2k14 s SER 54 Ca 0.11 1.52 0.26 0.00 0.70 0.00 0.00 55.95 58.53 2k14 s SER 54 Cb -0.04 -2.55 1.02 0.00 -1.71 0.00 0.00 66.02 62.74 2k14 s SER 54 CO 0.03 -0.53 1.81 0.33 1.20 0.00 0.00 173.24 176.08 2k14 n PHE 55 N 5.44 0.32 -1.03 3.44 7.35 -0.10 -4.07 117.46 128.81 2k14 n PHE 55 Ca 0.10 0.10 0.05 0.00 -0.76 0.00 0.00 57.45 56.94 2k14 n PHE 55 Cb 0.48 -0.66 0.07 0.00 0.35 0.00 0.00 39.48 39.71 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 -1.77 1.60 -4.11 -2.13 2.03 -1.26 -5.01 116.55 105.90 2k14 n ASP 56 Ca 0.06 -2.46 -0.31 0.00 0.52 0.00 0.00 54.79 52.60 2k14 n ASP 56 Cb 0.33 -0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.45 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 -0.82 -1.71 -4.92 1.67 4.13 -1.26 -5.00 115.26 107.34 2k14 n ASN 57 Ca 0.08 -1.02 -0.25 0.00 1.68 0.00 0.00 54.58 55.06 2k14 n ASN 57 Cb 0.56 -2.82 -0.03 0.00 -1.54 0.00 0.00 39.78 35.94 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 -6.80 3.34 -1.00 3.52 -1.52 -1.26 -4.67 119.66 111.27 2k14 s GLN 58 Ca 0.36 -0.68 -0.13 0.00 -1.95 0.00 0.00 55.36 52.96 2k14 s GLN 58 Cb -0.20 -2.89 0.22 0.00 -0.22 0.00 0.00 33.01 29.92 2k14 s GLN 58 CO 0.91 0.50 1.05 -1.14 -0.25 0.00 0.00 175.29 176.36 2k14 s GLN 59 N -3.36 3.89 -0.84 2.91 0.74 -1.26 -2.82 119.66 118.92 2k14 s GLN 59 Ca 0.34 -2.63 -0.23 0.00 0.05 0.00 0.00 55.36 52.89 2k14 s GLN 59 Cb -0.10 -4.66 0.07 0.00 1.10 0.00 0.00 33.01 29.42 2k14 s GLN 59 CO 0.28 -1.43 1.20 0.42 -0.55 0.00 0.00 175.29 175.21 2k14 s ILE 60 N 0.32 4.20 0.99 -2.34 1.01 0.34 -4.92 121.20 120.80 2k14 s ILE 60 Ca 0.29 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 60.19 2k14 s ILE 60 Cb -0.08 -4.86 0.18 0.00 0.01 0.00 0.00 42.46 37.72 2k14 s ILE 60 CO -0.07 -1.68 1.08 -0.44 0.00 0.00 0.00 174.94 173.83 2k14 s SER 61 N 4.04 2.53 0.36 3.58 0.01 -1.26 -0.84 113.70 122.12 2k14 s SER 61 Ca 0.34 1.64 -0.26 0.00 1.31 0.00 0.00 55.95 58.98 2k14 s SER 61 Cb -0.07 -2.29 -0.12 0.00 0.21 0.00 0.00 66.02 63.75 2k14 s SER 61 CO 0.00 -3.26 0.94 0.00 0.41 0.00 0.00 173.24 171.34 2k14 n TYR 62 N -4.30 0.96 -2.21 2.43 9.36 -1.26 -3.98 117.16 118.16 2k14 n TYR 62 Ca 0.07 0.63 -0.03 0.00 3.32 0.00 0.00 57.90 61.89 2k14 n TYR 62 Cb 0.54 -2.20 0.00 0.00 -0.63 0.00 0.00 39.34 37.05 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 1.29 0.37 3.34 2.98 0.00 -0.30 -5.02 105.19 107.86 2k14 n GLY 63 Ca 0.10 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.38 1.85 -0.17 2.61 -1.32 -1.26 -4.98 115.64 110.00 2k14 s THR 64 Ca 0.02 -1.90 -0.18 0.00 -1.21 0.00 0.00 61.69 58.42 2k14 s THR 64 Cb -0.01 -1.85 -0.04 0.00 -1.51 0.00 0.00 72.50 69.10 2k14 s THR 64 CO 0.03 -0.28 0.49 -0.89 -2.21 0.00 0.00 174.62 171.75 2k14 s THR 65 N -1.96 5.15 0.04 5.08 2.01 -1.26 -2.54 115.64 122.15 2k14 s THR 65 Ca 0.15 0.93 0.05 0.00 0.31 0.00 0.00 61.69 63.14 2k14 s THR 65 Cb -0.06 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 2k14 s THR 65 CO 0.07 0.25 -0.16 0.68 -0.69 0.00 0.00 174.62 174.77 2k14 s VAL 66 N 1.18 1.25 -0.16 3.82 -7.23 -0.28 -1.59 120.40 117.39 2k14 s VAL 66 Ca 0.24 -1.02 -0.18 0.00 -1.81 0.00 0.00 61.98 59.21 2k14 s VAL 66 Cb -0.15 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 2k14 s VAL 66 CO 0.10 0.08 0.50 -0.22 -0.31 0.00 0.00 175.10 175.24 2k14 s LEU 67 N -1.10 4.20 -0.21 1.32 2.96 0.21 -0.08 118.68 125.98 2k14 s LEU 67 Ca 0.03 0.73 -0.29 0.00 -0.22 0.00 0.00 54.13 54.39 2k14 s LEU 67 Cb -0.08 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.90 2k14 s LEU 67 CO 0.01 -0.10 1.28 -0.69 -1.32 0.00 0.00 176.35 175.53 2k14 s VAL 68 N 1.18 4.24 -0.01 1.68 1.01 -1.04 -1.84 120.40 125.61 2k14 s VAL 68 Ca 0.25 1.46 0.07 0.00 0.00 0.00 0.00 61.98 63.76 2k14 s VAL 68 Cb -0.15 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 2k14 s VAL 68 CO 0.10 -0.25 0.15 1.33 0.00 0.00 0.00 175.10 176.43 2k14 n VAL 69 N 5.66 0.02 -3.87 2.92 0.24 0.06 -4.38 118.33 118.98 2k14 n VAL 69 Ca 0.14 -0.17 -0.09 0.00 -2.04 0.00 0.00 64.34 62.18 2k14 n VAL 69 Cb 0.45 0.29 -0.06 0.00 -1.47 0.00 0.00 33.84 33.05 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 -2.86 -0.04 -0.10 -1.34 -1.08 -0.94 -5.02 116.67 105.29 2k14 s ASP 70 Ca -0.03 -0.70 -0.06 0.00 -0.52 0.00 0.00 52.55 51.24 2k14 s ASP 70 Cb 0.04 0.46 0.04 0.00 -1.46 0.00 0.00 42.92 42.00 2k14 s ASP 70 CO 0.30 -0.90 0.23 -0.63 0.52 0.00 0.00 175.17 174.69 2k14 s ILE 71 N -3.92 -0.03 -0.45 4.11 1.01 -1.26 -0.36 121.20 120.30 2k14 s ILE 71 Ca 0.12 0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.91 2k14 s ILE 71 Cb 0.02 -0.35 0.16 0.00 0.01 0.00 0.00 42.46 42.30 2k14 s ILE 71 CO -0.03 0.04 0.33 0.21 0.00 0.00 0.00 174.94 175.49 2k14 s ASN 72 N 0.90 2.52 -1.30 3.58 2.47 -0.08 -4.96 114.94 118.06 2k14 s ASN 72 Ca -0.06 -2.99 -0.10 0.00 0.42 0.00 0.00 52.86 50.14 2k14 s ASN 72 Cb -0.08 -0.70 0.07 0.00 -1.45 0.00 0.00 41.25 39.10 2k14 s ASN 72 CO -0.06 -0.19 0.50 -3.20 -3.72 0.00 0.00 177.10 170.43 2k14 n ASN 73 N 3.00 -3.72 0.00 -4.21 5.15 -1.26 -1.31 115.26 112.91 2k14 n ASN 73 Ca 0.22 -0.41 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 2k14 n ASN 73 Cb 0.42 -3.08 0.00 0.00 -0.53 0.00 0.00 39.78 36.59 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 -1.18 1.64 3.36 8.20 0.00 -1.26 -5.06 105.19 110.88 2k14 n GLY 74 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.12 5.22 0.38 1.61 1.01 -0.43 -2.83 120.40 123.23 2k14 s VAL 75 Ca 0.00 -1.23 -0.24 0.00 0.00 0.00 0.00 61.98 60.51 2k14 s VAL 75 Cb 0.00 -4.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.07 2k14 s VAL 75 CO 0.00 -0.70 0.97 -0.76 0.00 0.00 0.00 175.10 174.61 2k14 s LEU 76 N 1.64 4.15 -0.22 3.92 1.02 -0.15 -0.91 118.68 128.13 2k14 s LEU 76 Ca 0.04 1.82 -0.05 0.00 0.02 0.00 0.00 54.13 55.95 2k14 s LEU 76 Cb -0.26 -4.25 -0.02 0.00 0.02 0.00 0.00 46.19 41.68 2k14 s LEU 76 CO 0.05 -0.26 0.01 -0.44 0.02 0.00 0.00 176.35 175.73 2k14 s SER 77 N -1.82 4.76 0.18 2.29 0.01 0.52 -0.81 113.70 118.83 2k14 s SER 77 Ca 0.56 -0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.60 2k14 s SER 77 Cb -0.16 -1.83 -0.05 0.00 0.21 0.00 0.00 66.02 64.20 2k14 s SER 77 CO 0.20 0.02 -0.05 0.68 0.41 0.00 0.00 173.24 174.50 2k14 s VAL 78 N 1.29 1.00 -0.05 3.43 -7.23 -0.31 -0.76 120.40 117.77 2k14 s VAL 78 Ca 0.04 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.12 2k14 s VAL 78 Cb -0.15 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.76 2k14 s VAL 78 CO 0.01 -0.56 0.16 0.28 -0.31 0.00 0.00 175.10 174.67 2k14 s THR 79 N -3.44 0.01 -0.86 5.32 -1.32 -0.77 -0.93 115.64 113.66 2k14 s THR 79 Ca 0.22 -0.08 -0.25 0.00 -1.21 0.00 0.00 61.69 60.36 2k14 s THR 79 Cb 0.04 -0.26 -0.04 0.00 -1.51 0.00 0.00 72.50 70.74 2k14 s THR 79 CO 0.04 -0.05 1.89 -2.16 -2.21 0.00 0.00 174.62 172.13 2k14 s PRO 80 N -0.09 2.64 0.28 7.08 0.04 -1.26 -0.62 135.00 143.08 2k14 s PRO 80 Ca -0.02 -0.19 0.02 0.00 0.04 0.00 0.00 61.00 60.85 2k14 s PRO 80 Cb -0.02 -4.95 0.43 0.00 0.04 0.00 0.00 34.50 29.99 2k14 s PRO 80 CO 0.00 -3.17 1.75 1.25 0.04 0.00 0.00 177.00 176.87 2k14 h HIS 81 N 11.81 0.61 -6.99 0.56 2.76 -1.83 -3.48 115.15 118.59 2k14 h HIS 81 Ca 0.04 -0.11 -0.59 0.00 -2.20 0.00 0.00 60.37 57.51 2k14 h HIS 81 Cb 1.03 -0.16 -0.13 0.00 1.55 0.00 0.00 27.41 29.71 2k14 h HIS 81 CO 1.19 0.69 -0.94 -1.91 -1.30 0.00 0.00 177.93 175.66 2k14 n GLU 82 N -4.17 -0.66 -1.37 5.26 2.13 -0.62 -4.95 120.64 116.26 2k14 n GLU 82 Ca 0.01 0.06 -0.32 0.00 0.66 0.00 0.00 57.16 57.57 2k14 n GLU 82 Cb 0.36 -2.95 0.09 0.00 0.27 0.00 0.00 31.44 29.20 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 -7.26 2.28 0.00 5.31 0.04 -1.26 -5.05 135.00 129.06 2k14 s PRO 83 Ca 0.19 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.56 2k14 s PRO 83 Cb -0.10 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2k14 s PRO 83 CO 0.94 -1.64 0.04 -0.89 0.04 0.00 0.00 177.00 175.49