#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 0.96 -0.81 1.61 4.64 -2.05 -1.54 113.55 116.35 2k14 h SER 2 Ca 0.00 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.40 2k14 h SER 2 Cb 0.00 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 61.86 2k14 h SER 2 CO 0.00 0.59 0.53 1.12 -0.87 0.00 0.00 176.83 178.20 2k14 h HIS 3 N 1.08 0.91 -0.22 4.77 -0.00 -2.05 -0.30 115.15 119.35 2k14 h HIS 3 Ca 0.43 0.02 -0.20 0.00 -0.00 0.00 0.00 60.37 60.62 2k14 h HIS 3 Cb 0.22 -0.30 0.01 0.00 -0.00 0.00 0.00 27.41 27.33 2k14 h HIS 3 CO -0.01 0.49 -0.64 1.98 -0.00 0.00 0.00 177.93 179.75 2k14 h MET 4 N 0.91 0.82 -0.39 5.12 1.85 -1.74 -1.24 114.93 120.25 2k14 h MET 4 Ca 0.34 -0.59 -0.07 0.00 -0.61 0.00 0.00 59.70 58.77 2k14 h MET 4 Cb 0.19 0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.30 2k14 h MET 4 CO -0.12 1.21 -0.06 -0.07 -0.40 0.00 0.00 176.91 177.47 2k14 h LEU 5 N 0.57 0.64 -0.42 3.39 3.38 -1.03 -0.63 115.31 121.21 2k14 h LEU 5 Ca -0.02 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 2k14 h LEU 5 Cb 1.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2k14 h LEU 5 CO 0.14 0.75 -0.19 -0.33 0.09 0.00 0.00 178.44 178.89 2k14 h GLU 6 N 0.61 0.86 -0.56 1.13 5.08 -1.05 -2.15 114.58 118.50 2k14 h GLU 6 Ca 0.12 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 2k14 h GLU 6 Cb 0.47 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2k14 h GLU 6 CO 0.02 1.01 0.33 1.03 -1.00 0.00 0.00 179.01 180.40 2k14 h SER 7 N 0.68 0.69 -0.25 1.42 0.87 -0.91 -0.44 113.55 115.61 2k14 h SER 7 Ca 0.09 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.48 2k14 h SER 7 Cb 0.75 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 2k14 h SER 7 CO 0.06 0.56 -0.20 0.77 -0.53 0.00 0.00 176.83 177.49 2k14 h SER 8 N 0.76 0.71 -0.61 6.23 4.64 -1.14 -0.97 113.55 123.16 2k14 h SER 8 Ca 0.20 -0.24 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 2k14 h SER 8 Cb 0.01 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 2k14 h SER 8 CO -0.04 0.90 0.16 0.00 -0.87 0.00 0.00 176.83 176.99 2k14 h ALA 9 N 1.16 0.80 -0.62 5.18 0.00 -1.14 -0.56 119.26 124.08 2k14 h ALA 9 Ca 0.09 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2k14 h ALA 9 Cb 0.68 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2k14 h ALA 9 CO 0.05 0.50 0.04 0.93 0.00 0.00 0.00 179.25 180.76 2k14 h GLU 10 N 0.88 1.07 -0.26 0.00 5.08 -0.89 -0.72 114.58 119.73 2k14 h GLU 10 Ca 0.19 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 2k14 h GLU 10 Cb 0.33 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2k14 h GLU 10 CO -0.00 1.02 -0.22 0.93 -1.00 0.00 0.00 179.01 179.74 2k14 h GLU 11 N 0.97 0.49 -0.58 2.33 4.39 -1.11 -0.67 114.58 120.39 2k14 h GLU 11 Ca 0.18 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2k14 h GLU 11 Cb 0.52 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2k14 h GLU 11 CO 0.02 0.68 -0.00 0.77 -1.16 0.00 0.00 179.01 179.32 2k14 h SER 12 N 0.44 1.00 -0.48 1.42 0.02 -0.86 -1.39 113.55 113.69 2k14 h SER 12 Ca 0.07 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 2k14 h SER 12 Cb 0.63 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2k14 h SER 12 CO 0.04 1.05 0.12 0.25 -1.14 0.00 0.00 176.83 177.16 2k14 h LEU 13 N 0.93 0.73 -1.33 5.07 6.46 -0.90 -1.08 115.31 125.19 2k14 h LEU 13 Ca 0.17 -0.23 0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2k14 h LEU 13 Cb 0.55 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.25 2k14 h LEU 13 CO 0.03 0.76 0.47 0.00 -0.62 0.00 0.00 178.44 179.08 2k14 h ALA 14 N 0.99 1.56 -0.43 1.25 0.00 -0.95 0.58 119.26 122.25 2k14 h ALA 14 Ca 0.15 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2k14 h ALA 14 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k14 h ALA 14 CO 0.00 0.38 -0.14 -0.92 0.00 0.00 0.00 179.25 178.57 2k14 h TYR 15 N 0.89 0.97 -0.91 0.00 3.20 -0.97 -0.51 116.97 119.64 2k14 h TYR 15 Ca 0.28 -0.22 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 2k14 h TYR 15 Cb 0.01 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 2k14 h TYR 15 CO -0.00 0.98 0.53 0.00 -1.64 0.00 0.00 178.16 178.03 2k14 h ARG 16 N 0.68 1.25 -0.51 1.82 3.08 -0.56 -1.95 114.38 118.19 2k14 h ARG 16 Ca 0.10 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 2k14 h ARG 16 Cb 0.69 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2k14 h ARG 16 CO 0.05 0.89 -0.07 1.49 -1.07 0.00 0.00 179.97 181.25 2k14 h GLU 17 N 1.26 0.95 -0.00 0.04 4.81 -0.81 -3.06 114.58 117.77 2k14 h GLU 17 Ca 0.32 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2k14 h GLU 17 Cb -0.02 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 2k14 h GLU 17 CO -0.06 1.00 -0.14 0.22 -0.73 0.00 0.00 179.01 179.31 2k14 h ASP 18 N 0.81 0.00 -0.05 1.04 3.58 -0.80 -1.52 116.42 119.47 2k14 h ASP 18 Ca 0.13 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 2k14 h ASP 18 Cb 0.62 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.67 2k14 h ASP 18 CO 0.04 0.14 0.03 -0.78 -2.88 0.00 0.00 179.24 175.79 2k14 h ASP 19 N 0.00 0.07 0.51 2.28 3.58 -1.25 -2.25 116.42 119.35 2k14 h ASP 19 Ca -0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k14 h ASP 19 Cb 0.24 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2k14 h ASP 19 CO 0.02 0.05 0.00 0.18 -2.88 0.00 0.00 179.24 176.61 2k14 n LEU 20 N -4.52 0.64 0.12 2.28 4.77 -0.57 -2.58 117.00 117.13 2k14 n LEU 20 Ca -0.02 0.70 0.09 0.00 -0.03 0.00 0.00 56.01 56.74 2k14 n LEU 20 Cb 0.09 -0.65 0.44 0.00 -2.33 0.00 0.00 43.42 40.97 2k14 n LEU 20 CO 0.34 -0.68 0.77 -1.14 -1.33 0.00 0.00 177.39 175.35 2k14 n ARG 21 N -2.25 0.11 -0.85 3.23 0.63 -0.85 -1.83 116.66 114.87 2k14 n ARG 21 Ca 0.01 0.55 0.07 0.00 -0.92 0.00 0.00 57.85 57.56 2k14 n ARG 21 Cb 0.17 -1.83 0.39 0.00 0.45 0.00 0.00 32.46 31.64 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 -1.03 3.17 3.25 5.14 0.00 -1.06 -4.61 105.19 110.04 2k14 n GLY 22 Ca -0.00 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.79 1.09 0.36 1.61 0.52 -0.76 -5.08 118.95 113.90 2k14 s ARG 23 Ca 0.53 -1.49 -0.09 0.00 -0.52 0.00 0.00 55.73 54.16 2k14 s ARG 23 Cb 0.41 -0.50 -0.06 0.00 0.52 0.00 0.00 34.95 35.32 2k14 s ARG 23 CO 0.15 -0.01 0.70 -0.51 0.02 0.00 0.00 175.30 175.65 2k14 s LEU 24 N -3.18 3.92 0.00 2.53 2.01 -1.26 -2.49 118.68 120.21 2k14 s LEU 24 Ca 0.20 1.01 0.02 0.00 0.01 0.00 0.00 54.13 55.37 2k14 s LEU 24 Cb 0.04 -3.86 -0.01 0.00 0.01 0.00 0.00 46.19 42.37 2k14 s LEU 24 CO 0.02 -0.32 0.08 0.61 1.01 0.00 0.00 176.35 177.75 2k14 n GLY 25 N -1.11 3.72 2.91 -3.19 0.00 0.84 -1.73 105.19 106.63 2k14 n GLY 25 Ca 0.01 -1.77 -0.15 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 -2.42 0.13 0.01 1.61 2.47 0.68 -0.95 119.74 121.28 2k14 s LYS 26 Ca 0.11 0.59 -0.30 0.00 -1.56 0.00 0.00 55.97 54.81 2k14 s LYS 26 Cb 0.01 -0.33 -0.05 0.00 -1.46 0.00 0.00 37.83 36.00 2k14 s LYS 26 CO 0.08 -0.37 1.21 0.08 0.16 0.00 0.00 175.35 176.51 2k14 s VAL 27 N 2.37 4.10 -0.33 4.02 1.01 -1.03 -1.59 120.40 128.95 2k14 s VAL 27 Ca 0.03 1.48 0.04 0.00 0.00 0.00 0.00 61.98 63.53 2k14 s VAL 27 Cb -0.13 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2k14 s VAL 27 CO -0.09 0.06 0.33 2.30 0.00 0.00 0.00 175.10 177.71 2k14 n ILE 28 N 4.23 0.00 -3.72 2.22 -0.00 -0.14 -1.35 119.36 120.60 2k14 n ILE 28 Ca 0.10 -0.43 -0.15 0.00 -0.00 0.00 0.00 62.75 62.27 2k14 n ILE 28 Cb 0.46 1.03 -0.15 0.00 -0.00 0.00 0.00 39.64 40.98 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 -1.09 -0.13 0.37 7.28 2.01 -1.12 -4.91 115.64 118.04 2k14 s THR 29 Ca 0.03 0.25 -0.27 0.00 0.31 0.00 0.00 61.69 62.01 2k14 s THR 29 Cb 0.04 -0.26 -0.11 0.00 0.01 0.00 0.00 72.50 72.17 2k14 s THR 29 CO 0.14 0.11 1.25 0.00 -0.69 0.00 0.00 174.62 175.43 2k14 n ALA 30 N 4.66 1.15 -3.90 7.40 0.00 -1.26 -1.19 120.51 127.36 2k14 n ALA 30 Ca -0.18 0.32 -0.32 0.00 0.00 0.00 0.00 53.44 53.26 2k14 n ALA 30 Cb 0.51 -2.23 -0.13 0.00 0.00 0.00 0.00 19.45 17.59 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 2.82 1.01 0.00 1.01 -0.21 -3.60 120.40 120.28 2k14 s VAL 31 Ca 0.58 -2.85 -0.13 0.00 0.00 0.00 0.00 61.98 59.57 2k14 s VAL 31 Cb -0.55 -2.95 0.19 0.00 0.00 0.00 0.00 36.38 33.07 2k14 s VAL 31 CO 0.60 -0.75 1.11 -2.16 0.00 0.00 0.00 175.10 173.90 2k14 s PRO 32 N 0.23 0.35 0.67 2.72 0.04 -1.26 -0.49 135.00 137.25 2k14 s PRO 32 Ca 0.14 0.35 0.38 0.00 0.04 0.00 0.00 61.00 61.92 2k14 s PRO 32 Cb -0.23 -1.74 2.06 0.00 0.04 0.00 0.00 34.50 34.63 2k14 s PRO 32 CO -0.03 -2.75 2.16 -0.39 0.04 0.00 0.00 177.00 176.03 2k14 h VAL 33 N -1.90 0.01 -0.03 -0.36 -1.51 -1.81 -2.51 116.25 108.14 2k14 h VAL 33 Ca -0.53 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 64.77 2k14 h VAL 33 Cb 1.33 0.84 -0.32 0.00 -2.13 0.00 0.00 31.29 31.01 2k14 h VAL 33 CO 0.56 0.00 -0.84 -0.67 -1.23 0.00 0.00 177.57 175.39 2k14 n ASP 34 N -3.01 0.48 -0.20 4.19 2.03 -1.26 -4.36 116.55 114.42 2k14 n ASP 34 Ca -0.02 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.28 2k14 n ASP 34 Cb 0.22 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 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 0.23 4.76 3.17 0.27 0.00 -0.95 -5.10 105.19 107.58 2k14 n GLY 35 Ca -0.03 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.37 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 1.38 0.00 1.61 0.40 -1.26 -4.20 117.98 114.44 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 4.74 3.05 4.36 0.00 -0.36 -4.62 105.19 114.20 2k14 n GLY 37 Ca -0.18 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 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 3.91 0.40 0.04 1.61 2.02 -0.33 -0.93 118.70 125.42 2k14 s GLU 38 Ca 0.00 -0.49 -0.02 0.00 0.02 0.00 0.00 54.97 54.48 2k14 s GLU 38 Cb 0.00 0.16 -0.02 0.00 0.10 0.00 0.00 34.13 34.36 2k14 s GLU 38 CO 0.00 -0.08 0.01 0.54 0.02 0.00 0.00 175.26 175.75 2k14 s VAL 39 N -1.40 0.16 0.05 2.63 0.11 -0.27 -0.96 120.40 120.72 2k14 s VAL 39 Ca -0.15 -1.33 0.06 0.00 -2.93 0.00 0.00 61.98 57.63 2k14 s VAL 39 Cb -0.09 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.76 2k14 s VAL 39 CO 0.00 -0.73 -0.16 0.68 -3.33 0.00 0.00 175.10 171.56 2k14 s VAL 40 N -2.85 1.30 0.60 2.04 -7.23 -0.62 -0.84 120.40 112.79 2k14 s VAL 40 Ca -0.03 -1.11 -0.18 0.00 -1.81 0.00 0.00 61.98 58.85 2k14 s VAL 40 Cb 0.00 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.74 2k14 s VAL 40 CO -0.06 0.04 1.14 -0.63 -0.31 0.00 0.00 175.10 175.28 2k14 s ILE 41 N -0.89 3.05 0.02 -0.62 -1.09 -1.26 -0.23 121.20 120.18 2k14 s ILE 41 Ca 0.03 0.60 0.16 0.00 -2.23 0.00 0.00 60.65 59.21 2k14 s ILE 41 Cb -0.08 -3.18 0.16 0.00 -1.58 0.00 0.00 42.46 37.78 2k14 s ILE 41 CO 0.02 -0.20 1.41 -0.33 -1.23 0.00 0.00 174.94 174.61 2k14 h GLU 42 N 0.71 0.00 -2.06 2.79 4.39 -1.63 -3.05 114.58 115.72 2k14 h GLU 42 Ca -0.49 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.18 2k14 h GLU 42 Cb 1.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 2k14 h GLU 42 CO 0.55 0.00 -0.04 0.41 -1.16 0.00 0.00 179.01 178.78 2k14 n GLY 43 N -1.28 2.08 0.47 -3.84 0.00 -1.26 -4.76 105.19 96.61 2k14 n GLY 43 Ca -0.01 -0.21 0.26 0.00 0.00 0.00 0.00 46.02 46.06 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 1.51 0.21 0.00 -0.61 -0.00 -1.90 0.72 117.51 117.43 2k14 h ILE 44 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.89 2k14 h ILE 44 Cb 0.82 0.35 0.00 0.00 -0.00 0.00 0.00 36.82 37.99 2k14 h ILE 44 CO 0.07 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.83 2k14 n GLY 45 N -1.62 -1.19 0.00 0.16 0.00 -1.26 -4.31 105.19 96.96 2k14 n GLY 45 Ca 0.17 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.26 1.00 3.59 -0.02 0.00 0.10 -5.14 105.19 104.46 2k14 n GLY 46 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 1.70 -0.07 2.61 -4.23 -0.36 -5.09 115.64 110.21 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 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.41 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 -2.93 1.19 0.59 2.99 1.01 -1.26 -4.95 121.20 117.83 2k14 s ILE 48 Ca 0.69 -0.51 -0.17 0.00 0.00 0.00 0.00 60.65 60.65 2k14 s ILE 48 Cb -0.13 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 2k14 s ILE 48 CO 0.57 0.37 1.10 -0.94 0.00 0.00 0.00 174.94 176.03 2k14 s SER 49 N 0.61 5.61 0.06 3.58 1.04 -1.26 -4.52 113.70 118.81 2k14 s SER 49 Ca -0.14 2.01 -0.04 0.00 0.48 0.00 0.00 55.95 58.25 2k14 s SER 49 Cb -0.16 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.39 2k14 s SER 49 CO 0.04 -1.29 0.07 -0.54 0.98 0.00 0.00 173.24 172.50 2k14 s LYS 50 N -3.72 0.68 0.61 4.02 -0.14 -0.02 -5.00 119.74 116.17 2k14 s LYS 50 Ca 0.68 -1.02 -0.18 0.00 -1.36 0.00 0.00 55.97 54.09 2k14 s LYS 50 Cb -0.20 0.26 -0.03 0.00 -1.68 0.00 0.00 37.83 36.18 2k14 s LYS 50 CO 0.33 -0.17 1.17 -1.12 -0.76 0.00 0.00 175.35 174.80 2k14 s SER 51 N -2.71 5.19 0.01 2.83 0.01 -0.97 -1.12 113.70 116.94 2k14 s SER 51 Ca 0.03 2.25 -0.02 0.00 1.31 0.00 0.00 55.95 59.52 2k14 s SER 51 Cb 0.05 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 2k14 s SER 51 CO -0.09 -1.59 0.02 0.00 0.41 0.00 0.00 173.24 172.00 2k14 s ALA 52 N -1.84 -0.03 0.09 1.44 0.00 -0.10 -0.96 121.76 120.35 2k14 s ALA 52 Ca 0.74 -0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.44 2k14 s ALA 52 Cb -0.26 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 2k14 s ALA 52 CO 0.35 -0.14 -0.17 0.14 0.00 0.00 0.00 175.76 175.94 2k14 s VAL 53 N -1.10 1.39 -0.19 0.00 -7.23 -0.01 -1.22 120.40 112.03 2k14 s VAL 53 Ca -0.12 -1.42 -0.29 0.00 -1.81 0.00 0.00 61.98 58.34 2k14 s VAL 53 Cb -0.07 -1.30 -0.00 0.00 0.56 0.00 0.00 36.38 35.57 2k14 s VAL 53 CO -0.00 -0.16 1.11 -0.55 -0.31 0.00 0.00 175.10 175.19 2k14 s SER 54 N -1.83 7.06 0.00 4.85 0.15 -1.26 -1.05 113.70 121.62 2k14 s SER 54 Ca 0.02 1.50 0.29 0.00 0.70 0.00 0.00 55.95 58.46 2k14 s SER 54 Cb -0.10 -2.54 1.23 0.00 -1.71 0.00 0.00 66.02 62.90 2k14 s SER 54 CO 0.03 -0.68 1.91 0.33 1.20 0.00 0.00 173.24 176.04 2k14 n PHE 55 N 6.25 0.00 -0.79 3.44 7.35 -0.36 -4.07 117.46 129.27 2k14 n PHE 55 Ca 0.12 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.86 2k14 n PHE 55 Cb 0.46 -0.44 0.06 0.00 0.35 0.00 0.00 39.48 39.91 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 -1.45 1.74 -4.11 -2.13 2.03 -1.26 -5.01 116.55 106.36 2k14 n ASP 56 Ca 0.08 -2.39 -0.31 0.00 0.52 0.00 0.00 54.79 52.69 2k14 n ASP 56 Cb 0.32 -0.21 -0.03 0.00 -0.72 0.00 0.00 41.12 40.48 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 -0.81 -1.60 -4.87 1.67 4.13 -1.26 -5.00 115.26 107.52 2k14 n ASN 57 Ca 0.07 -1.03 -0.27 0.00 1.68 0.00 0.00 54.58 55.03 2k14 n ASN 57 Cb 0.50 -2.79 -0.04 0.00 -1.54 0.00 0.00 39.78 35.90 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 3.17 -0.93 3.52 -1.52 -1.26 -4.68 119.66 111.15 2k14 s GLN 58 Ca 0.35 -0.70 -0.18 0.00 -1.95 0.00 0.00 55.36 52.88 2k14 s GLN 58 Cb -0.19 -2.82 0.14 0.00 -0.22 0.00 0.00 33.01 29.92 2k14 s GLN 58 CO 0.92 0.52 1.10 -1.14 -0.25 0.00 0.00 175.29 176.43 2k14 s GLN 59 N -3.03 3.62 -1.21 2.91 0.74 -1.26 -2.96 119.66 118.47 2k14 s GLN 59 Ca 0.33 -1.88 -0.18 0.00 0.05 0.00 0.00 55.36 53.68 2k14 s GLN 59 Cb -0.11 -4.87 0.10 0.00 1.10 0.00 0.00 33.01 29.23 2k14 s GLN 59 CO 0.26 -1.71 1.58 0.42 -0.55 0.00 0.00 175.29 175.28 2k14 s ILE 60 N 2.33 4.36 1.03 -2.34 1.01 0.36 -4.92 121.20 123.03 2k14 s ILE 60 Ca 0.31 -1.90 -0.11 0.00 0.00 0.00 0.00 60.65 58.95 2k14 s ILE 60 Cb -0.05 -5.08 0.21 0.00 0.01 0.00 0.00 42.46 37.55 2k14 s ILE 60 CO -0.09 -1.88 1.09 -0.44 0.00 0.00 0.00 174.94 173.62 2k14 s SER 61 N 3.95 2.01 0.31 3.58 0.01 -1.26 -1.04 113.70 121.25 2k14 s SER 61 Ca 0.48 1.87 -0.28 0.00 1.31 0.00 0.00 55.95 59.34 2k14 s SER 61 Cb 0.01 -2.45 -0.14 0.00 0.21 0.00 0.00 66.02 63.66 2k14 s SER 61 CO 0.02 -3.62 1.04 0.00 0.41 0.00 0.00 173.24 171.09 2k14 n TYR 62 N -4.55 1.37 -2.67 2.43 4.19 -1.26 -4.04 117.16 112.62 2k14 n TYR 62 Ca 0.08 0.67 -0.04 0.00 3.31 0.00 0.00 57.90 61.92 2k14 n TYR 62 Cb 0.53 -2.27 0.01 0.00 0.49 0.00 0.00 39.34 38.11 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 1.17 0.67 3.26 2.98 0.00 -0.46 -5.04 105.19 107.77 2k14 n GLY 63 Ca 0.09 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.06 1.41 -0.11 2.61 -1.32 -1.26 -4.98 115.64 108.93 2k14 s THR 64 Ca 0.10 -1.78 -0.19 0.00 -1.21 0.00 0.00 61.69 58.61 2k14 s THR 64 Cb -0.04 -1.61 -0.04 0.00 -1.51 0.00 0.00 72.50 69.30 2k14 s THR 64 CO 0.13 -0.42 0.50 -0.89 -2.21 0.00 0.00 174.62 171.73 2k14 s THR 65 N -2.21 5.17 0.03 5.08 2.01 -1.26 -2.45 115.64 122.01 2k14 s THR 65 Ca 0.11 1.01 0.04 0.00 0.31 0.00 0.00 61.69 63.16 2k14 s THR 65 Cb -0.04 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 2k14 s THR 65 CO 0.04 0.32 -0.13 0.68 -0.69 0.00 0.00 174.62 174.84 2k14 s VAL 66 N 0.62 1.01 -0.20 3.82 -7.23 -0.13 -1.46 120.40 116.82 2k14 s VAL 66 Ca 0.27 -0.93 -0.15 0.00 -1.81 0.00 0.00 61.98 59.36 2k14 s VAL 66 Cb -0.15 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 2k14 s VAL 66 CO 0.11 -0.01 0.38 -0.22 -0.31 0.00 0.00 175.10 175.05 2k14 s LEU 67 N -1.07 4.15 -1.34 1.32 1.98 0.15 -0.11 118.68 123.76 2k14 s LEU 67 Ca 0.01 0.48 -0.16 0.00 -2.89 0.00 0.00 54.13 51.56 2k14 s LEU 67 Cb -0.08 -2.48 0.07 0.00 0.66 0.00 0.00 46.19 44.37 2k14 s LEU 67 CO 0.01 -0.06 1.87 0.52 -1.89 0.00 0.00 176.35 176.80 2k14 n VAL 68 N 4.32 3.83 0.15 1.68 0.31 -1.04 -2.06 118.33 125.53 2k14 n VAL 68 Ca -0.09 -3.82 0.04 0.00 -0.01 0.00 0.00 64.34 60.46 2k14 n VAL 68 Cb 0.51 -2.43 0.47 0.00 -0.91 0.00 0.00 33.84 31.48 2k14 n VAL 68 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2k14 h VAL 69 N 5.02 1.12 -3.85 2.52 3.04 -1.40 -3.40 116.25 119.29 2k14 h VAL 69 Ca 0.48 -0.51 -0.10 0.00 -1.01 0.00 0.00 66.70 65.57 2k14 h VAL 69 Cb 0.80 1.10 -0.13 0.00 -2.01 0.00 0.00 31.29 31.05 2k14 h VAL 69 CO 1.58 0.16 -0.32 -1.81 -1.01 0.00 0.00 177.57 176.17 2k14 s ASP 70 N -6.92 0.05 -0.06 3.17 1.01 -1.04 -5.03 116.67 107.84 2k14 s ASP 70 Ca -0.05 -0.81 -0.05 0.00 0.71 0.00 0.00 52.55 52.35 2k14 s ASP 70 Cb 0.16 0.42 0.02 0.00 1.01 0.00 0.00 42.92 44.53 2k14 s ASP 70 CO 0.71 -0.86 0.16 -0.63 0.21 0.00 0.00 175.17 174.76 2k14 s ILE 71 N -3.94 -0.01 -0.37 0.77 1.01 -1.26 -0.20 121.20 117.19 2k14 s ILE 71 Ca 0.14 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.85 2k14 s ILE 71 Cb 0.04 -0.24 0.15 0.00 0.01 0.00 0.00 42.46 42.42 2k14 s ILE 71 CO -0.03 0.01 0.30 0.21 0.00 0.00 0.00 174.94 175.44 2k14 s ASN 72 N 0.31 2.04 -1.39 3.58 3.84 -0.34 -4.98 114.94 118.01 2k14 s ASN 72 Ca -0.02 -2.07 -0.14 0.00 0.21 0.00 0.00 52.86 50.85 2k14 s ASN 72 Cb -0.03 -0.01 0.02 0.00 -0.55 0.00 0.00 41.25 40.68 2k14 s ASN 72 CO -0.01 -0.27 0.34 -3.20 -2.79 0.00 0.00 177.10 171.17 2k14 n ASN 73 N 3.94 -1.37 0.00 -4.21 5.15 -1.26 -1.17 115.26 116.35 2k14 n ASN 73 Ca 0.14 -1.24 0.00 0.00 -0.60 0.00 0.00 54.58 52.88 2k14 n ASN 73 Cb 0.42 -1.92 0.00 0.00 -0.53 0.00 0.00 39.78 37.75 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 -2.28 0.32 3.14 8.20 0.00 -1.26 -5.03 105.19 108.28 2k14 n GLY 74 Ca -0.24 0.00 -0.37 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 -2.10 3.60 0.39 1.61 1.01 -0.31 -2.30 120.40 122.30 2k14 s VAL 75 Ca 0.00 -2.13 -0.24 0.00 0.00 0.00 0.00 61.98 59.61 2k14 s VAL 75 Cb 0.00 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.86 2k14 s VAL 75 CO 0.00 -0.74 0.99 -0.76 0.00 0.00 0.00 175.10 174.59 2k14 s LEU 76 N 1.01 4.13 -0.21 3.92 1.02 -0.14 -1.20 118.68 127.20 2k14 s LEU 76 Ca 0.09 1.89 -0.05 0.00 0.02 0.00 0.00 54.13 56.08 2k14 s LEU 76 Cb -0.23 -4.25 -0.02 0.00 0.02 0.00 0.00 46.19 41.71 2k14 s LEU 76 CO -0.03 -0.36 0.01 -0.44 0.02 0.00 0.00 176.35 175.54 2k14 s SER 77 N -1.76 4.82 0.13 2.29 0.01 0.71 -0.83 113.70 119.07 2k14 s SER 77 Ca 0.57 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.64 2k14 s SER 77 Cb -0.17 -1.83 -0.04 0.00 0.21 0.00 0.00 66.02 64.18 2k14 s SER 77 CO 0.22 0.04 -0.06 0.68 0.41 0.00 0.00 173.24 174.53 2k14 s VAL 78 N 1.15 0.86 -0.09 3.43 -7.23 -0.22 -1.18 120.40 117.13 2k14 s VAL 78 Ca 0.03 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.13 2k14 s VAL 78 Cb -0.14 -1.84 0.02 0.00 0.56 0.00 0.00 36.38 34.98 2k14 s VAL 78 CO 0.01 -0.74 0.23 0.28 -0.31 0.00 0.00 175.10 174.57 2k14 s THR 79 N -3.53 -0.00 -0.85 5.32 -1.32 -0.87 -1.22 115.64 113.17 2k14 s THR 79 Ca 0.16 0.02 -0.25 0.00 -1.21 0.00 0.00 61.69 60.41 2k14 s THR 79 Cb 0.05 -0.32 -0.02 0.00 -1.51 0.00 0.00 72.50 70.69 2k14 s THR 79 CO -0.01 0.01 1.83 -2.16 -2.21 0.00 0.00 174.62 172.07 2k14 s PRO 80 N 0.24 2.75 0.29 7.08 0.04 -1.26 -0.67 135.00 143.46 2k14 s PRO 80 Ca -0.01 -0.21 0.05 0.00 0.04 0.00 0.00 61.00 60.87 2k14 s PRO 80 Cb -0.03 -4.91 0.44 0.00 0.04 0.00 0.00 34.50 30.04 2k14 s PRO 80 CO -0.01 -3.01 1.70 1.25 0.04 0.00 0.00 177.00 176.97 2k14 h HIS 81 N 11.82 0.37 -6.79 0.56 2.76 -1.83 -3.48 115.15 118.57 2k14 h HIS 81 Ca 0.01 -0.09 -0.52 0.00 -2.20 0.00 0.00 60.37 57.57 2k14 h HIS 81 Cb 1.04 -0.08 -0.15 0.00 1.55 0.00 0.00 27.41 29.76 2k14 h HIS 81 CO 1.18 0.65 -0.82 -0.85 -1.30 0.00 0.00 177.93 176.80 2k14 n GLU 82 N -4.06 -0.87 -1.33 5.26 0.28 -0.54 -4.94 120.64 114.44 2k14 n GLU 82 Ca -0.01 0.06 -0.32 0.00 -0.16 0.00 0.00 57.16 56.73 2k14 n GLU 82 Cb 0.46 -2.84 0.09 0.00 1.43 0.00 0.00 31.44 30.58 2k14 n GLU 82 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2k14 s PRO 83 N -6.73 2.25 0.00 3.44 0.04 -1.26 -5.03 135.00 127.71 2k14 s PRO 83 Ca 0.06 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2k14 s PRO 83 Cb -0.03 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2k14 s PRO 83 CO 0.83 -1.67 0.05 -0.89 0.04 0.00 0.00 177.00 175.37