#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 0.59 -0.61 1.61 4.64 -2.05 -1.21 113.55 116.52 2k14 h SER 2 Ca 0.00 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.38 2k14 h SER 2 Cb 0.00 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 2k14 h SER 2 CO 0.00 0.35 0.40 1.12 -0.87 0.00 0.00 176.83 177.84 2k14 h HIS 3 N 0.66 0.66 0.02 4.77 -0.00 -2.05 -0.45 115.15 118.76 2k14 h HIS 3 Ca 0.35 0.02 -0.23 0.00 -0.00 0.00 0.00 60.37 60.51 2k14 h HIS 3 Cb 0.49 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.68 2k14 h HIS 3 CO -0.00 0.38 -0.97 1.98 -0.00 0.00 0.00 177.93 179.32 2k14 h MET 4 N 0.68 0.34 -0.54 5.12 1.85 -1.66 -1.24 114.93 119.49 2k14 h MET 4 Ca 0.25 -0.39 -0.06 0.00 -0.61 0.00 0.00 59.70 58.89 2k14 h MET 4 Cb 0.14 0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.27 2k14 h MET 4 CO -0.07 1.09 0.10 -0.07 -0.40 0.00 0.00 176.91 177.56 2k14 h LEU 5 N 0.18 0.85 -0.71 3.39 3.38 -1.11 0.04 115.31 121.33 2k14 h LEU 5 Ca -0.08 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 2k14 h LEU 5 Cb 1.61 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 2k14 h LEU 5 CO 0.16 0.88 0.22 -0.33 0.09 0.00 0.00 178.44 179.46 2k14 h GLU 6 N 0.77 1.10 -0.76 1.13 5.08 -1.11 -0.78 114.58 120.00 2k14 h GLU 6 Ca 0.17 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2k14 h GLU 6 Cb 0.39 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2k14 h GLU 6 CO 0.01 0.95 0.29 0.77 -1.00 0.00 0.00 179.01 180.03 2k14 h SER 7 N 1.04 1.06 -0.28 1.42 0.02 -1.06 -1.01 113.55 114.75 2k14 h SER 7 Ca 0.23 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 2k14 h SER 7 Cb 0.31 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2k14 h SER 7 CO -0.01 0.95 -0.18 0.28 -1.14 0.00 0.00 176.83 176.73 2k14 h SER 8 N 1.12 0.74 -0.46 3.07 0.02 -0.77 -0.29 113.55 116.98 2k14 h SER 8 Ca 0.25 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 2k14 h SER 8 Cb 0.23 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2k14 h SER 8 CO -0.02 0.92 -0.03 0.00 -1.14 0.00 0.00 176.83 176.57 2k14 h ALA 9 N 1.14 0.62 -0.67 3.77 0.00 -0.93 -0.32 119.26 122.88 2k14 h ALA 9 Ca 0.10 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2k14 h ALA 9 Cb 0.67 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2k14 h ALA 9 CO 0.05 0.44 0.14 1.49 0.00 0.00 0.00 179.25 181.37 2k14 h GLU 10 N 0.67 1.08 -0.64 0.00 4.81 -1.08 -0.91 114.58 118.52 2k14 h GLU 10 Ca 0.13 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 2k14 h GLU 10 Cb 0.54 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 2k14 h GLU 10 CO 0.03 0.98 0.20 1.49 -0.73 0.00 0.00 179.01 180.98 2k14 h GLU 11 N 1.01 0.96 -0.48 1.92 4.81 -0.99 -0.50 114.58 121.31 2k14 h GLU 11 Ca 0.21 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 2k14 h GLU 11 Cb 0.39 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2k14 h GLU 11 CO 0.01 0.82 -0.08 0.77 -0.73 0.00 0.00 179.01 179.81 2k14 h SER 12 N 0.93 0.83 -0.43 1.04 0.02 -0.79 -1.39 113.55 113.77 2k14 h SER 12 Ca 0.21 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 2k14 h SER 12 Cb 0.26 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2k14 h SER 12 CO -0.01 0.94 0.05 0.25 -1.14 0.00 0.00 176.83 176.92 2k14 h LEU 13 N 0.77 0.71 -1.30 5.07 6.46 -0.87 -1.17 115.31 124.98 2k14 h LEU 13 Ca 0.13 -0.28 0.03 0.00 -0.12 0.00 0.00 57.88 57.65 2k14 h LEU 13 Cb 0.57 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.27 2k14 h LEU 13 CO 0.03 0.81 0.49 0.00 -0.62 0.00 0.00 178.44 179.15 2k14 h ALA 14 N 0.93 1.54 -0.43 1.25 0.00 -0.90 0.62 119.26 122.27 2k14 h ALA 14 Ca 0.13 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2k14 h ALA 14 Cb 0.41 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k14 h ALA 14 CO 0.01 0.39 -0.05 -0.92 0.00 0.00 0.00 179.25 178.68 2k14 h TYR 15 N 0.92 0.88 -0.79 0.00 3.20 -1.00 -0.09 116.97 120.10 2k14 h TYR 15 Ca 0.29 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 2k14 h TYR 15 Cb 0.01 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.02 2k14 h TYR 15 CO -0.00 0.88 0.47 0.00 -1.64 0.00 0.00 178.16 177.88 2k14 h ARG 16 N 0.62 1.07 -0.39 1.82 3.08 -0.60 -1.95 114.38 118.04 2k14 h ARG 16 Ca 0.11 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 2k14 h ARG 16 Cb 0.57 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2k14 h ARG 16 CO 0.03 0.75 -0.07 1.49 -1.07 0.00 0.00 179.97 181.10 2k14 h GLU 17 N 1.09 0.73 0.00 0.04 4.81 -0.74 -3.06 114.58 117.45 2k14 h GLU 17 Ca 0.28 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2k14 h GLU 17 Cb -0.04 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 2k14 h GLU 17 CO -0.05 0.87 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.58 2k14 h ASP 18 N 0.54 0.00 0.00 1.04 3.32 -0.70 -1.17 116.42 119.46 2k14 h ASP 18 Ca 0.10 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2k14 h ASP 18 Cb 0.58 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 2k14 h ASP 18 CO 0.03 0.08 -0.02 -0.78 -1.72 0.00 0.00 179.24 176.83 2k14 h ASP 19 N 0.00 0.06 0.42 6.45 3.58 -1.25 -2.23 116.42 123.44 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 0.16 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2k14 h ASP 19 CO 0.01 0.10 0.00 0.18 -2.88 0.00 0.00 179.24 176.65 2k14 n LEU 20 N -4.47 0.63 0.00 2.28 4.77 -0.44 -2.43 117.00 117.34 2k14 n LEU 20 Ca -0.02 0.71 0.03 0.00 -0.03 0.00 0.00 56.01 56.70 2k14 n LEU 20 Cb 0.13 -0.69 0.15 0.00 -2.33 0.00 0.00 43.42 40.68 2k14 n LEU 20 CO 0.35 -0.73 0.59 -1.14 -1.33 0.00 0.00 177.39 175.13 2k14 n ARG 21 N -2.25 0.02 -0.67 3.23 0.63 -0.84 -1.44 116.66 115.33 2k14 n ARG 21 Ca 0.01 0.36 0.08 0.00 -0.92 0.00 0.00 57.85 57.37 2k14 n ARG 21 Cb 0.15 -1.50 0.34 0.00 0.45 0.00 0.00 32.46 31.89 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 -0.80 3.36 3.25 5.14 0.00 -1.02 -4.61 105.19 110.53 2k14 n GLY 22 Ca 0.02 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.62 1.07 0.07 1.61 0.52 -0.52 -5.09 118.95 113.98 2k14 s ARG 23 Ca 0.48 -1.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 2k14 s ARG 23 Cb 0.37 -0.69 -0.04 0.00 0.52 0.00 0.00 34.95 35.11 2k14 s ARG 23 CO 0.14 0.10 0.21 -1.17 0.02 0.00 0.00 175.30 174.60 2k14 s LEU 24 N -3.07 4.34 0.00 2.53 2.96 -1.26 -2.55 118.68 121.63 2k14 s LEU 24 Ca 0.16 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 2k14 s LEU 24 Cb 0.01 -2.94 -0.00 0.00 0.50 0.00 0.00 46.19 43.76 2k14 s LEU 24 CO 0.01 0.16 0.12 0.61 -1.32 0.00 0.00 176.35 175.93 2k14 n GLY 25 N 0.21 3.30 2.81 7.98 0.00 0.93 -2.06 105.19 118.36 2k14 n GLY 25 Ca -0.05 -1.61 -0.18 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.34 0.06 0.01 1.61 2.47 0.65 -1.42 119.74 120.78 2k14 s LYS 26 Ca 0.11 0.46 -0.30 0.00 -1.56 0.00 0.00 55.97 54.68 2k14 s LYS 26 Cb 0.00 -0.53 -0.04 0.00 -1.46 0.00 0.00 37.83 35.80 2k14 s LYS 26 CO 0.08 -0.39 1.20 0.08 0.16 0.00 0.00 175.35 176.48 2k14 s VAL 27 N 2.29 4.15 -0.25 4.02 1.01 -1.07 -1.43 120.40 129.11 2k14 s VAL 27 Ca 0.04 1.52 0.02 0.00 0.00 0.00 0.00 61.98 63.56 2k14 s VAL 27 Cb -0.13 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.29 2k14 s VAL 27 CO -0.07 0.06 0.50 2.30 0.00 0.00 0.00 175.10 177.89 2k14 n ILE 28 N 4.25 0.00 -3.69 2.22 -0.00 -0.15 -0.86 119.36 121.13 2k14 n ILE 28 Ca 0.10 -0.49 -0.11 0.00 -0.00 0.00 0.00 62.75 62.25 2k14 n ILE 28 Cb 0.46 1.04 -0.11 0.00 -0.00 0.00 0.00 39.64 41.03 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 -0.33 -0.20 0.33 7.28 2.01 -1.17 -4.88 115.64 118.67 2k14 s THR 29 Ca 0.02 0.15 -0.28 0.00 0.31 0.00 0.00 61.69 61.89 2k14 s THR 29 Cb 0.02 -0.55 -0.12 0.00 0.01 0.00 0.00 72.50 71.86 2k14 s THR 29 CO 0.04 0.06 1.29 0.00 -0.69 0.00 0.00 174.62 175.32 2k14 n ALA 30 N 4.62 1.26 -3.98 7.40 0.00 -1.26 -1.20 120.51 127.35 2k14 n ALA 30 Ca -0.19 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.31 2k14 n ALA 30 Cb 0.53 -2.25 -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 -1.03 2.45 0.96 0.00 1.01 0.05 -3.60 120.40 120.24 2k14 s VAL 31 Ca 0.56 -2.57 -0.15 0.00 0.00 0.00 0.00 61.98 59.82 2k14 s VAL 31 Cb -0.58 -2.77 0.18 0.00 0.00 0.00 0.00 36.38 33.21 2k14 s VAL 31 CO 0.61 -0.66 1.22 -2.16 0.00 0.00 0.00 175.10 174.11 2k14 s PRO 32 N 0.62 0.70 0.58 2.72 0.04 -1.26 -0.64 135.00 137.76 2k14 s PRO 32 Ca 0.12 -0.09 0.28 0.00 0.04 0.00 0.00 61.00 61.36 2k14 s PRO 32 Cb -0.21 -1.82 1.57 0.00 0.04 0.00 0.00 34.50 34.08 2k14 s PRO 32 CO -0.06 -2.42 2.02 -0.39 0.04 0.00 0.00 177.00 176.19 2k14 h VAL 33 N -1.65 0.46 0.00 -0.36 -1.51 -1.88 -2.73 116.25 108.57 2k14 h VAL 33 Ca -0.46 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 64.93 2k14 h VAL 33 Cb 1.29 0.76 -0.16 0.00 -2.13 0.00 0.00 31.29 31.04 2k14 h VAL 33 CO 0.48 0.00 -0.71 -0.90 -1.23 0.00 0.00 177.57 175.21 2k14 n ASP 34 N -3.82 0.40 -0.61 4.19 5.75 -1.26 -4.30 116.55 116.91 2k14 n ASP 34 Ca 0.04 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 2k14 n ASP 34 Cb 0.46 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 2k14 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k14 n GLY 35 N 0.21 4.97 3.17 6.12 0.00 -1.03 -5.08 105.19 113.55 2k14 n GLY 35 Ca 0.02 -1.68 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.12 1.38 0.00 1.61 0.40 -1.26 -4.15 117.98 114.83 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 -0.82 0.00 0.00 0.51 0.00 0.00 43.02 42.71 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 1.88 4.53 3.05 4.36 0.00 -0.16 -4.61 105.19 114.24 2k14 n GLY 37 Ca -0.18 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 4.26 0.39 0.04 1.61 2.02 -0.34 -0.84 118.70 125.83 2k14 s GLU 38 Ca 0.00 -0.41 0.01 0.00 0.02 0.00 0.00 54.97 54.58 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 -0.08 -0.05 0.54 0.02 0.00 0.00 175.26 175.69 2k14 s VAL 39 N -1.27 0.33 0.03 2.63 0.11 -0.25 -0.98 120.40 121.00 2k14 s VAL 39 Ca -0.14 -1.26 0.03 0.00 -2.93 0.00 0.00 61.98 57.69 2k14 s VAL 39 Cb -0.08 -0.78 -0.02 0.00 -1.53 0.00 0.00 36.38 33.98 2k14 s VAL 39 CO 0.01 -0.61 -0.10 0.54 -3.33 0.00 0.00 175.10 171.61 2k14 s VAL 40 N -2.18 0.73 0.64 2.04 0.11 -0.51 -0.84 120.40 120.39 2k14 s VAL 40 Ca -0.06 -0.84 -0.15 0.00 -2.93 0.00 0.00 61.98 58.00 2k14 s VAL 40 Cb -0.05 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.09 2k14 s VAL 40 CO -0.03 -0.11 1.09 -0.63 -3.33 0.00 0.00 175.10 172.10 2k14 s ILE 41 N -0.86 3.46 0.65 7.04 -1.09 -1.26 -0.25 121.20 128.89 2k14 s ILE 41 Ca -0.02 0.67 0.30 0.00 -2.23 0.00 0.00 60.65 59.37 2k14 s ILE 41 Cb -0.07 -3.20 0.33 0.00 -1.58 0.00 0.00 42.46 37.94 2k14 s ILE 41 CO 0.01 -0.44 1.95 -0.33 -1.23 0.00 0.00 174.94 174.90 2k14 h GLU 42 N 0.09 0.00 -2.16 2.79 5.08 -1.73 -2.86 114.58 115.78 2k14 h GLU 42 Ca -0.47 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.81 2k14 h GLU 42 Cb 1.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 2k14 h GLU 42 CO 0.55 0.00 -0.09 0.41 -1.00 0.00 0.00 179.01 178.88 2k14 n GLY 43 N -1.28 2.27 0.46 -3.84 0.00 -1.26 -4.77 105.19 96.76 2k14 n GLY 43 Ca 0.00 -0.54 0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 1.88 0.29 -0.01 -0.61 -0.00 -1.88 0.04 117.51 117.22 2k14 h ILE 44 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.94 2k14 h ILE 44 Cb 0.96 0.43 0.00 0.00 -0.00 0.00 0.00 36.82 38.22 2k14 h ILE 44 CO 0.18 0.00 -0.22 0.61 -0.00 0.00 0.00 178.15 178.72 2k14 n GLY 45 N -1.62 -0.77 1.19 0.16 0.00 -1.26 -4.29 105.19 98.60 2k14 n GLY 45 Ca 0.16 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 1.34 0.83 3.37 -0.02 0.00 -0.03 -5.11 105.19 105.57 2k14 n GLY 46 Ca 0.12 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 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 0.21 -0.09 2.61 -4.23 -1.03 -5.03 115.64 108.08 2k14 s THR 47 Ca 0.21 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 2k14 s THR 47 Cb 0.24 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 71.68 2k14 s THR 47 CO -0.11 0.00 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.24 2k14 s ILE 48 N -3.37 1.10 0.64 2.99 1.01 -1.26 -4.98 121.20 117.34 2k14 s ILE 48 Ca 0.34 -0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.42 2k14 s ILE 48 Cb 0.02 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 2k14 s ILE 48 CO 0.22 0.37 1.16 -0.94 0.00 0.00 0.00 174.94 175.75 2k14 s SER 49 N 1.20 5.03 0.06 3.58 1.04 -1.26 -4.75 113.70 118.60 2k14 s SER 49 Ca -0.04 2.22 -0.00 0.00 0.48 0.00 0.00 55.95 58.61 2k14 s SER 49 Cb -0.14 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2k14 s SER 49 CO -0.03 -1.69 -0.04 -0.54 0.98 0.00 0.00 173.24 171.93 2k14 s LYS 50 N -3.69 0.65 0.64 4.02 -0.14 -0.02 -4.99 119.74 116.20 2k14 s LYS 50 Ca 0.73 -1.23 -0.18 0.00 -1.36 0.00 0.00 55.97 53.93 2k14 s LYS 50 Cb -0.26 0.12 -0.01 0.00 -1.68 0.00 0.00 37.83 36.00 2k14 s LYS 50 CO 0.37 -0.09 1.21 -1.12 -0.76 0.00 0.00 175.35 174.97 2k14 s SER 51 N -2.91 4.88 -0.00 2.83 0.01 -0.91 -1.09 113.70 116.50 2k14 s SER 51 Ca 0.07 2.39 -0.04 0.00 1.31 0.00 0.00 55.95 59.68 2k14 s SER 51 Cb 0.07 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.70 2k14 s SER 51 CO -0.09 -1.81 0.08 0.00 0.41 0.00 0.00 173.24 171.83 2k14 s ALA 52 N -1.70 -0.17 0.12 1.44 0.00 -0.02 -1.06 121.76 120.36 2k14 s ALA 52 Ca 0.77 -0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.65 2k14 s ALA 52 Cb -0.30 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2k14 s ALA 52 CO 0.37 -0.14 -0.14 0.14 0.00 0.00 0.00 175.76 175.98 2k14 s VAL 53 N -0.96 1.34 -0.47 0.00 -7.23 0.01 -0.99 120.40 112.10 2k14 s VAL 53 Ca -0.11 -1.69 -0.29 0.00 -1.81 0.00 0.00 61.98 58.08 2k14 s VAL 53 Cb -0.06 -1.51 0.03 0.00 0.56 0.00 0.00 36.38 35.40 2k14 s VAL 53 CO 0.00 -0.39 1.17 -0.55 -0.31 0.00 0.00 175.10 175.02 2k14 s SER 54 N -2.40 6.60 0.32 4.85 0.15 -1.26 -1.11 113.70 120.86 2k14 s SER 54 Ca 0.08 0.51 0.08 0.00 0.70 0.00 0.00 55.95 57.32 2k14 s SER 54 Cb -0.05 -2.55 0.54 0.00 -1.71 0.00 0.00 66.02 62.25 2k14 s SER 54 CO 0.03 -1.27 1.75 0.15 1.20 0.00 0.00 173.24 175.10 2k14 h PHE 55 N 9.37 0.26 -0.23 3.44 3.57 -1.36 -3.26 116.94 128.73 2k14 h PHE 55 Ca -0.23 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.21 2k14 h PHE 55 Cb 1.06 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2k14 h PHE 55 CO 0.98 0.55 0.00 -3.47 -2.23 0.00 0.00 178.31 174.14 2k14 n ASP 56 N -4.08 2.36 -3.68 0.41 2.03 -1.26 -4.95 116.55 107.37 2k14 n ASP 56 Ca -0.01 -1.82 -0.22 0.00 0.52 0.00 0.00 54.79 53.26 2k14 n ASP 56 Cb 0.43 -0.14 0.04 0.00 -0.72 0.00 0.00 41.12 40.73 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 0.79 -2.31 -4.08 1.67 5.15 -1.23 -5.03 115.26 110.21 2k14 n ASN 57 Ca 0.17 -0.76 -0.13 0.00 -0.60 0.00 0.00 54.58 53.27 2k14 n ASN 57 Cb 0.44 -4.29 -0.11 0.00 -0.53 0.00 0.00 39.78 35.29 2k14 n ASN 57 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2k14 s GLN 58 N -6.00 0.58 0.18 1.20 -1.52 -1.26 -4.81 119.66 108.02 2k14 s GLN 58 Ca 0.16 -0.86 -0.30 0.00 -1.95 0.00 0.00 55.36 52.41 2k14 s GLN 58 Cb -0.08 -0.29 -0.07 0.00 -0.22 0.00 0.00 33.01 32.35 2k14 s GLN 58 CO 0.79 0.04 0.98 -1.14 -0.25 0.00 0.00 175.29 175.72 2k14 s GLN 59 N -1.94 4.74 -0.37 2.91 0.74 -1.26 -3.97 119.66 120.50 2k14 s GLN 59 Ca -0.06 1.52 0.01 0.00 0.05 0.00 0.00 55.36 56.87 2k14 s GLN 59 Cb -0.08 -3.32 0.12 0.00 1.10 0.00 0.00 33.01 30.84 2k14 s GLN 59 CO -0.00 0.31 0.17 0.42 -0.55 0.00 0.00 175.29 175.63 2k14 s ILE 60 N -0.53 1.08 0.90 -2.34 1.01 0.18 -4.99 121.20 116.52 2k14 s ILE 60 Ca 0.45 -1.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.04 2k14 s ILE 60 Cb -0.26 -1.79 0.13 0.00 0.01 0.00 0.00 42.46 40.56 2k14 s ILE 60 CO 0.32 -0.79 1.10 -0.94 0.00 0.00 0.00 174.94 174.62 2k14 s SER 61 N 1.01 3.48 0.26 3.58 1.04 -1.26 -0.77 113.70 121.05 2k14 s SER 61 Ca 0.14 1.33 -0.30 0.00 0.48 0.00 0.00 55.95 57.60 2k14 s SER 61 Cb -0.21 -2.01 -0.13 0.00 0.10 0.00 0.00 66.02 63.77 2k14 s SER 61 CO -0.12 -2.61 1.32 0.00 0.98 0.00 0.00 173.24 172.81 2k14 n TYR 62 N -3.85 2.01 -0.56 5.02 4.19 -1.26 -3.62 117.16 119.08 2k14 n TYR 62 Ca 0.07 0.51 0.00 0.00 3.31 0.00 0.00 57.90 61.79 2k14 n TYR 62 Cb 0.56 -2.41 0.00 0.00 0.49 0.00 0.00 39.34 37.98 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 1.75 0.76 3.95 2.98 0.00 -0.04 -5.02 105.19 109.57 2k14 n GLY 63 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.68 5.11 -0.20 2.61 -1.32 -1.24 -4.88 115.64 113.05 2k14 s THR 64 Ca 0.00 -0.61 -0.16 0.00 -1.21 0.00 0.00 61.69 59.71 2k14 s THR 64 Cb 0.00 -3.85 -0.04 0.00 -1.51 0.00 0.00 72.50 67.10 2k14 s THR 64 CO 0.00 -0.49 0.39 -0.89 -2.21 0.00 0.00 174.62 171.42 2k14 s THR 65 N -2.23 5.21 0.04 5.08 2.01 -1.26 -2.61 115.64 121.88 2k14 s THR 65 Ca 0.39 0.69 0.04 0.00 0.31 0.00 0.00 61.69 63.12 2k14 s THR 65 Cb -0.09 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 2k14 s THR 65 CO 0.34 0.27 -0.12 0.68 -0.69 0.00 0.00 174.62 175.10 2k14 s VAL 66 N 1.20 0.97 -0.19 3.82 -7.23 -0.51 -1.68 120.40 116.79 2k14 s VAL 66 Ca 0.19 -0.94 -0.14 0.00 -1.81 0.00 0.00 61.98 59.28 2k14 s VAL 66 Cb -0.15 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 2k14 s VAL 66 CO 0.08 -0.04 0.32 -0.22 -0.31 0.00 0.00 175.10 174.93 2k14 s LEU 67 N -1.10 4.18 -0.10 1.32 2.96 0.07 -0.05 118.68 125.96 2k14 s LEU 67 Ca 0.00 0.44 -0.30 0.00 -0.22 0.00 0.00 54.13 54.06 2k14 s LEU 67 Cb -0.08 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.19 2k14 s LEU 67 CO 0.01 0.01 1.25 -0.69 -1.32 0.00 0.00 176.35 175.61 2k14 s VAL 68 N 0.97 4.22 -0.00 1.68 1.01 -1.06 -1.77 120.40 125.45 2k14 s VAL 68 Ca 0.16 1.52 0.01 0.00 0.00 0.00 0.00 61.98 63.68 2k14 s VAL 68 Cb -0.14 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 2k14 s VAL 68 CO 0.06 -0.06 0.03 1.33 0.00 0.00 0.00 175.10 176.46 2k14 n VAL 69 N 4.96 0.01 -3.76 2.92 0.24 0.04 -4.50 118.33 118.23 2k14 n VAL 69 Ca 0.12 -0.03 -0.10 0.00 -2.04 0.00 0.00 64.34 62.29 2k14 n VAL 69 Cb 0.45 0.39 -0.06 0.00 -1.47 0.00 0.00 33.84 33.15 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 -2.22 -0.07 -0.12 -1.34 -1.08 -0.98 -5.02 116.67 105.84 2k14 s ASP 70 Ca -0.01 -0.52 -0.09 0.00 -0.52 0.00 0.00 52.55 51.42 2k14 s ASP 70 Cb 0.01 0.42 0.04 0.00 -1.46 0.00 0.00 42.92 41.93 2k14 s ASP 70 CO 0.06 -0.82 0.30 -0.63 0.52 0.00 0.00 175.17 174.60 2k14 s ILE 71 N -3.85 -0.02 -0.24 4.11 1.01 -1.26 -0.18 121.20 120.77 2k14 s ILE 71 Ca 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 2k14 s ILE 71 Cb 0.03 -0.44 0.13 0.00 0.01 0.00 0.00 42.46 42.19 2k14 s ILE 71 CO -0.10 0.03 0.42 0.21 0.00 0.00 0.00 174.94 175.50 2k14 s ASN 72 N 0.73 -0.09 -0.99 3.58 3.84 -1.13 -4.99 114.94 115.90 2k14 s ASN 72 Ca -0.05 0.49 -0.16 0.00 0.21 0.00 0.00 52.86 53.36 2k14 s ASN 72 Cb -0.06 1.32 0.02 0.00 -0.55 0.00 0.00 41.25 41.98 2k14 s ASN 72 CO -0.05 -0.28 0.30 -0.46 -2.79 0.00 0.00 177.10 173.82 2k14 n ASN 73 N 5.38 -1.49 0.00 -4.21 6.94 -1.26 -0.52 115.26 120.10 2k14 n ASN 73 Ca -0.04 -0.95 0.00 0.00 -0.02 0.00 0.00 54.58 53.56 2k14 n ASN 73 Cb 0.50 -1.16 0.00 0.00 -2.36 0.00 0.00 39.78 36.76 2k14 n ASN 73 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k14 n GLY 74 N -1.95 0.52 2.87 4.83 0.00 -1.26 -4.96 105.19 105.25 2k14 n GLY 74 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.22 2.56 0.52 1.61 1.01 0.33 -2.14 120.40 122.06 2k14 s VAL 75 Ca 0.00 -3.79 -0.21 0.00 0.00 0.00 0.00 61.98 57.98 2k14 s VAL 75 Cb 0.00 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.60 2k14 s VAL 75 CO 0.00 -0.95 1.15 -0.76 0.00 0.00 0.00 175.10 174.54 2k14 s LEU 76 N -0.91 3.84 -0.22 3.92 1.02 -0.23 -2.82 118.68 123.29 2k14 s LEU 76 Ca 0.22 2.24 -0.05 0.00 0.02 0.00 0.00 54.13 56.56 2k14 s LEU 76 Cb -0.12 -4.46 -0.02 0.00 0.02 0.00 0.00 46.19 41.61 2k14 s LEU 76 CO -0.11 -1.14 0.01 -0.44 0.02 0.00 0.00 176.35 174.69 2k14 s SER 77 N -1.61 4.75 0.18 2.29 0.01 0.74 -0.81 113.70 119.26 2k14 s SER 77 Ca 0.70 -0.26 0.04 0.00 1.31 0.00 0.00 55.95 57.74 2k14 s SER 77 Cb -0.26 -1.83 -0.05 0.00 0.21 0.00 0.00 66.02 64.10 2k14 s SER 77 CO 0.30 0.01 -0.06 0.68 0.41 0.00 0.00 173.24 174.59 2k14 s VAL 78 N 1.30 1.10 -0.05 3.43 -7.23 -0.26 -0.78 120.40 117.92 2k14 s VAL 78 Ca 0.04 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.11 2k14 s VAL 78 Cb -0.15 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.74 2k14 s VAL 78 CO 0.01 -0.56 0.14 0.28 -0.31 0.00 0.00 175.10 174.65 2k14 s THR 79 N -3.37 0.01 -0.79 5.32 -1.32 -0.73 -0.96 115.64 113.80 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 -0.22 -0.03 0.00 -1.51 0.00 0.00 72.50 70.78 2k14 s THR 79 CO 0.04 -0.05 1.85 -2.16 -2.21 0.00 0.00 174.62 172.09 2k14 s PRO 80 N -0.10 2.68 0.31 7.08 0.04 -1.26 -0.75 135.00 142.99 2k14 s PRO 80 Ca -0.02 0.00 0.01 0.00 0.04 0.00 0.00 61.00 61.04 2k14 s PRO 80 Cb -0.02 -4.78 0.50 0.00 0.04 0.00 0.00 34.50 30.24 2k14 s PRO 80 CO 0.00 -3.00 1.85 1.25 0.04 0.00 0.00 177.00 177.15 2k14 h HIS 81 N 12.54 0.71 -6.69 0.56 2.76 -1.81 -3.48 115.15 119.74 2k14 h HIS 81 Ca -0.05 -0.06 -0.47 0.00 -2.20 0.00 0.00 60.37 57.59 2k14 h HIS 81 Cb 1.07 -0.21 -0.13 0.00 1.55 0.00 0.00 27.41 29.69 2k14 h HIS 81 CO 1.15 0.63 -0.75 -0.85 -1.30 0.00 0.00 177.93 176.81 2k14 n GLU 82 N -4.28 -0.84 -1.33 5.26 0.28 -0.67 -4.94 120.64 114.12 2k14 n GLU 82 Ca 0.03 0.04 -0.32 0.00 -0.16 0.00 0.00 57.16 56.75 2k14 n GLU 82 Cb 0.23 -2.50 0.09 0.00 1.43 0.00 0.00 31.44 30.69 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 -6.46 2.25 0.00 3.44 0.04 -1.26 -5.05 135.00 127.96 2k14 s PRO 83 Ca 0.08 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2k14 s PRO 83 Cb -0.04 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2k14 s PRO 83 CO 0.76 -1.66 0.14 -0.89 0.04 0.00 0.00 177.00 175.38