#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 1.01 -0.72 1.61 4.64 -2.05 -1.38 113.55 116.66 2k14 h SER 2 Ca 0.00 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.39 2k14 h SER 2 Cb 0.00 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 61.85 2k14 h SER 2 CO 0.00 0.62 0.47 1.12 -0.87 0.00 0.00 176.83 178.18 2k14 h HIS 3 N 1.13 0.78 -0.03 4.77 -0.00 -2.05 -0.37 115.15 119.38 2k14 h HIS 3 Ca 0.45 0.02 -0.24 0.00 -0.00 0.00 0.00 60.37 60.60 2k14 h HIS 3 Cb 0.24 -0.26 0.01 0.00 -0.00 0.00 0.00 27.41 27.40 2k14 h HIS 3 CO -0.00 0.42 -0.93 1.98 -0.00 0.00 0.00 177.93 179.40 2k14 h MET 4 N 0.78 0.57 -0.63 5.12 1.85 -1.71 -1.13 114.93 119.79 2k14 h MET 4 Ca 0.31 -0.57 -0.03 0.00 -0.61 0.00 0.00 59.70 58.79 2k14 h MET 4 Cb 0.21 0.15 -0.03 0.00 0.43 0.00 0.00 31.60 32.36 2k14 h MET 4 CO -0.10 1.19 0.27 -0.07 -0.40 0.00 0.00 176.91 177.80 2k14 h LEU 5 N 0.34 0.86 -0.74 3.39 3.38 -1.01 -0.10 115.31 121.43 2k14 h LEU 5 Ca -0.09 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 2k14 h LEU 5 Cb 1.57 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 2k14 h LEU 5 CO 0.17 0.79 0.18 -0.33 0.09 0.00 0.00 178.44 179.34 2k14 h GLU 6 N 0.88 1.14 -0.72 1.13 5.08 -1.09 -0.75 114.58 120.26 2k14 h GLU 6 Ca 0.21 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2k14 h GLU 6 Cb 0.18 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2k14 h GLU 6 CO -0.02 1.00 0.23 0.77 -1.00 0.00 0.00 179.01 179.99 2k14 h SER 7 N 1.08 1.03 -0.55 1.42 0.02 -0.96 -0.73 113.55 114.86 2k14 h SER 7 Ca 0.23 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 2k14 h SER 7 Cb 0.37 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 2k14 h SER 7 CO 0.00 0.95 -0.09 -1.28 -1.14 0.00 0.00 176.83 175.27 2k14 h SER 8 N 1.06 1.04 -0.59 3.07 0.87 -0.83 -0.32 113.55 117.86 2k14 h SER 8 Ca 0.23 -0.34 -0.05 0.00 -1.23 0.00 0.00 61.79 60.40 2k14 h SER 8 Cb 0.29 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2k14 h SER 8 CO -0.01 1.14 0.18 0.00 -0.53 0.00 0.00 176.83 177.62 2k14 h ALA 9 N 0.95 0.77 -0.59 6.23 0.00 -0.94 -0.03 119.26 125.65 2k14 h ALA 9 Ca 0.15 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2k14 h ALA 9 Cb 0.66 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2k14 h ALA 9 CO 0.05 0.44 -0.01 1.49 0.00 0.00 0.00 179.25 181.22 2k14 h GLU 10 N 0.84 1.03 -0.62 0.00 4.81 -1.05 -0.86 114.58 118.73 2k14 h GLU 10 Ca 0.19 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 2k14 h GLU 10 Cb 0.29 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2k14 h GLU 10 CO -0.01 1.02 0.16 1.49 -0.73 0.00 0.00 179.01 180.94 2k14 h GLU 11 N 0.94 0.97 -0.63 1.92 4.81 -0.90 -0.13 114.58 121.55 2k14 h GLU 11 Ca 0.17 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 2k14 h GLU 11 Cb 0.56 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 2k14 h GLU 11 CO 0.03 0.85 0.13 1.03 -0.73 0.00 0.00 179.01 180.32 2k14 h SER 12 N 0.93 0.98 -0.50 1.04 0.87 -0.81 -1.49 113.55 114.57 2k14 h SER 12 Ca 0.20 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2k14 h SER 12 Cb 0.32 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2k14 h SER 12 CO -0.00 0.98 0.24 0.25 -0.53 0.00 0.00 176.83 177.76 2k14 h LEU 13 N 0.95 0.66 -1.26 2.23 6.46 -0.84 -0.95 115.31 122.56 2k14 h LEU 13 Ca 0.20 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 2k14 h LEU 13 Cb 0.40 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 2k14 h LEU 13 CO 0.01 0.61 0.39 0.00 -0.62 0.00 0.00 178.44 178.82 2k14 h ALA 14 N 1.08 1.44 -0.38 1.25 0.00 -0.86 0.97 119.26 122.75 2k14 h ALA 14 Ca 0.17 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2k14 h ALA 14 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2k14 h ALA 14 CO -0.02 0.48 -0.02 -0.92 0.00 0.00 0.00 179.25 178.77 2k14 h TYR 15 N 0.91 0.75 -0.85 0.00 3.20 -0.87 -0.82 116.97 119.29 2k14 h TYR 15 Ca 0.24 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 2k14 h TYR 15 Cb -0.02 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.02 2k14 h TYR 15 CO 0.00 0.78 0.41 0.00 -1.64 0.00 0.00 178.16 177.72 2k14 h ARG 16 N 0.51 1.23 -0.66 1.82 3.08 -0.76 -2.81 114.38 116.78 2k14 h ARG 16 Ca 0.11 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 2k14 h ARG 16 Cb 0.50 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2k14 h ARG 16 CO 0.02 0.94 0.18 1.49 -1.07 0.00 0.00 179.97 181.54 2k14 h GLU 17 N 1.21 1.05 0.00 0.04 4.81 -0.72 -2.84 114.58 118.13 2k14 h GLU 17 Ca 0.29 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2k14 h GLU 17 Cb 0.12 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 2k14 h GLU 17 CO -0.04 0.93 -0.11 0.22 -0.73 0.00 0.00 179.01 179.28 2k14 h ASP 18 N 0.98 0.00 0.13 1.04 3.58 -0.94 -1.03 116.42 120.18 2k14 h ASP 18 Ca 0.21 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.62 2k14 h ASP 18 Cb 0.34 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2k14 h ASP 18 CO -0.00 0.11 -0.15 -0.78 -2.88 0.00 0.00 179.24 175.54 2k14 h ASP 19 N 0.00 0.05 0.36 2.28 3.58 -1.25 -2.58 116.42 118.86 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 0.29 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2k14 h ASP 19 CO 0.01 0.21 0.00 0.18 -2.88 0.00 0.00 179.24 176.77 2k14 n LEU 20 N -4.33 0.32 0.06 2.28 4.77 -0.39 -2.25 117.00 117.47 2k14 n LEU 20 Ca -0.02 0.61 0.06 0.00 -0.03 0.00 0.00 56.01 56.62 2k14 n LEU 20 Cb 0.24 -0.59 0.27 0.00 -2.33 0.00 0.00 43.42 41.00 2k14 n LEU 20 CO 0.37 -0.54 0.67 -1.14 -1.33 0.00 0.00 177.39 175.41 2k14 n ARG 21 N -1.88 0.06 -0.73 3.23 0.63 -0.97 -1.38 116.66 115.60 2k14 n ARG 21 Ca 0.01 0.49 0.08 0.00 -0.92 0.00 0.00 57.85 57.51 2k14 n ARG 21 Cb 0.12 -1.67 0.37 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 -1.03 2.98 3.24 5.14 0.00 -0.95 -4.57 105.19 110.00 2k14 n GLY 22 Ca 0.00 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.36 1.04 0.13 1.61 0.52 -0.48 -5.08 118.95 114.32 2k14 s ARG 23 Ca 0.52 -1.39 -0.04 0.00 -0.52 0.00 0.00 55.73 54.30 2k14 s ARG 23 Cb 0.37 -0.66 -0.05 0.00 0.52 0.00 0.00 34.95 35.13 2k14 s ARG 23 CO 0.19 0.09 0.34 -1.17 0.02 0.00 0.00 175.30 174.77 2k14 s LEU 24 N -3.00 4.29 0.00 2.53 2.96 -1.26 -2.49 118.68 121.70 2k14 s LEU 24 Ca 0.15 0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 2k14 s LEU 24 Cb 0.01 -3.23 -0.00 0.00 0.50 0.00 0.00 46.19 43.47 2k14 s LEU 24 CO 0.01 0.08 0.12 0.61 -1.32 0.00 0.00 176.35 175.84 2k14 n GLY 25 N 0.11 3.25 2.91 7.98 0.00 0.97 -1.34 105.19 119.06 2k14 n GLY 25 Ca -0.03 -1.58 -0.15 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.31 0.12 0.03 1.61 2.47 0.73 -1.07 119.74 121.32 2k14 s LYS 26 Ca 0.10 0.59 -0.30 0.00 -1.56 0.00 0.00 55.97 54.80 2k14 s LYS 26 Cb 0.00 -0.31 -0.05 0.00 -1.46 0.00 0.00 37.83 36.00 2k14 s LYS 26 CO 0.07 -0.36 1.26 0.08 0.16 0.00 0.00 175.35 176.57 2k14 s VAL 27 N 2.36 3.93 -0.09 4.02 1.01 -0.93 -1.44 120.40 129.26 2k14 s VAL 27 Ca 0.03 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.37 2k14 s VAL 27 Cb -0.13 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.39 2k14 s VAL 27 CO -0.08 0.06 0.53 2.30 0.00 0.00 0.00 175.10 177.91 2k14 n ILE 28 N 4.21 0.02 -3.69 2.22 -0.00 -0.18 -0.88 119.36 121.06 2k14 n ILE 28 Ca 0.10 -0.51 -0.10 0.00 -0.00 0.00 0.00 62.75 62.24 2k14 n ILE 28 Cb 0.45 1.01 -0.11 0.00 -0.00 0.00 0.00 39.64 40.99 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 -0.08 -0.19 0.33 7.28 2.01 -1.18 -4.88 115.64 118.93 2k14 s THR 29 Ca 0.01 0.13 -0.28 0.00 0.31 0.00 0.00 61.69 61.86 2k14 s THR 29 Cb 0.01 -0.58 -0.13 0.00 0.01 0.00 0.00 72.50 71.81 2k14 s THR 29 CO 0.01 0.05 1.27 0.00 -0.69 0.00 0.00 174.62 175.26 2k14 n ALA 30 N 4.59 1.14 -3.97 7.40 0.00 -1.26 -1.25 120.51 127.15 2k14 n ALA 30 Ca -0.19 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 2k14 n ALA 30 Cb 0.53 -2.23 -0.14 0.00 0.00 0.00 0.00 19.45 17.61 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 -1.01 2.36 0.97 0.00 1.01 -0.03 -3.56 120.40 120.13 2k14 s VAL 31 Ca 0.57 -2.81 -0.14 0.00 0.00 0.00 0.00 61.98 59.59 2k14 s VAL 31 Cb -0.59 -2.69 0.17 0.00 0.00 0.00 0.00 36.38 33.28 2k14 s VAL 31 CO 0.61 -0.71 1.17 -2.16 0.00 0.00 0.00 175.10 174.01 2k14 s PRO 32 N 0.31 0.66 0.64 2.72 0.04 -1.26 -0.62 135.00 137.50 2k14 s PRO 32 Ca 0.14 0.08 0.34 0.00 0.04 0.00 0.00 61.00 61.61 2k14 s PRO 32 Cb -0.23 -1.80 1.88 0.00 0.04 0.00 0.00 34.50 34.39 2k14 s PRO 32 CO -0.04 -2.48 2.11 -0.39 0.04 0.00 0.00 177.00 176.24 2k14 h VAL 33 N -1.70 0.15 0.00 -0.36 -1.51 -1.83 -2.68 116.25 108.32 2k14 h VAL 33 Ca -0.48 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 64.92 2k14 h VAL 33 Cb 1.31 0.82 -0.14 0.00 -2.13 0.00 0.00 31.29 31.14 2k14 h VAL 33 CO 0.53 0.00 -0.63 -0.90 -1.23 0.00 0.00 177.57 175.34 2k14 n ASP 34 N -3.24 0.28 -0.53 4.19 5.75 -1.26 -4.36 116.55 117.38 2k14 n ASP 34 Ca -0.01 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 2k14 n ASP 34 Cb 0.28 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.17 4.77 3.17 6.12 0.00 -1.01 -5.09 105.19 113.32 2k14 n GLY 35 Ca 0.00 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.33 1.37 0.00 1.61 0.40 -1.26 -4.23 117.98 114.54 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 4.61 3.04 4.36 0.00 -0.09 -4.62 105.19 114.35 2k14 n GLY 37 Ca -0.18 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 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 4.69 0.39 0.04 1.61 2.02 -0.38 -0.85 118.70 126.21 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 0.15 -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 -1.31 0.35 0.04 2.63 0.11 -0.25 -1.01 120.40 120.95 2k14 s VAL 39 Ca -0.14 -1.22 0.04 0.00 -2.93 0.00 0.00 61.98 57.73 2k14 s VAL 39 Cb -0.08 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 2k14 s VAL 39 CO 0.00 -0.57 -0.13 0.54 -3.33 0.00 0.00 175.10 171.61 2k14 s VAL 40 N -2.03 1.01 0.60 2.04 0.11 -0.52 -0.84 120.40 120.77 2k14 s VAL 40 Ca -0.07 -1.02 -0.17 0.00 -2.93 0.00 0.00 61.98 57.79 2k14 s VAL 40 Cb -0.06 -0.94 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2k14 s VAL 40 CO -0.02 -0.07 1.10 -0.63 -3.33 0.00 0.00 175.10 172.15 2k14 s ILE 41 N -0.94 3.40 0.43 7.04 -1.09 -1.26 -0.19 121.20 128.58 2k14 s ILE 41 Ca -0.00 0.72 0.29 0.00 -2.23 0.00 0.00 60.65 59.43 2k14 s ILE 41 Cb -0.08 -3.24 0.29 0.00 -1.58 0.00 0.00 42.46 37.85 2k14 s ILE 41 CO 0.01 -0.33 1.86 -0.33 -1.23 0.00 0.00 174.94 174.92 2k14 h GLU 42 N 0.54 0.00 -2.07 2.79 4.39 -1.51 -2.72 114.58 116.00 2k14 h GLU 42 Ca -0.48 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.12 2k14 h GLU 42 Cb 1.24 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.85 2k14 h GLU 42 CO 0.56 0.00 -0.18 0.41 -1.16 0.00 0.00 179.01 178.64 2k14 n GLY 43 N -1.21 2.59 0.48 -3.84 0.00 -1.26 -4.80 105.19 97.15 2k14 n GLY 43 Ca -0.02 -0.67 0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 1.73 0.24 -0.01 -0.61 -2.65 -1.85 -0.10 117.51 114.26 2k14 h ILE 44 Ca 0.10 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.99 2k14 h ILE 44 Cb 1.18 0.36 0.00 0.00 -2.05 0.00 0.00 36.82 36.30 2k14 h ILE 44 CO 0.16 0.00 -0.22 0.61 0.03 0.00 0.00 178.15 178.73 2k14 n GLY 45 N -1.65 -0.81 1.28 0.16 0.00 -1.26 -4.29 105.19 98.62 2k14 n GLY 45 Ca 0.18 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 0.86 3.36 -0.02 0.00 -0.07 -5.11 105.19 105.54 2k14 n GLY 46 Ca 0.12 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 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 0.18 -0.09 2.61 -4.23 -1.09 -5.04 115.64 107.98 2k14 s THR 47 Ca 0.24 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.76 2k14 s THR 47 Cb 0.27 -2.44 0.02 0.00 1.34 0.00 0.00 72.50 71.69 2k14 s THR 47 CO -0.12 0.00 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.23 2k14 s ILE 48 N -3.38 1.11 0.58 2.99 1.01 -1.26 -4.98 121.20 117.26 2k14 s ILE 48 Ca 0.35 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.41 2k14 s ILE 48 Cb 0.02 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2k14 s ILE 48 CO 0.23 0.37 1.15 -0.94 0.00 0.00 0.00 174.94 175.75 2k14 s SER 49 N 1.18 5.43 0.08 3.58 1.04 -1.26 -4.69 113.70 119.06 2k14 s SER 49 Ca -0.05 2.22 -0.01 0.00 0.48 0.00 0.00 55.95 58.60 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 -1.42 -0.02 -0.54 0.98 0.00 0.00 173.24 172.22 2k14 s LYS 50 N -3.42 0.72 0.61 4.02 -0.14 -0.02 -5.00 119.74 116.51 2k14 s LYS 50 Ca 0.73 -1.29 -0.18 0.00 -1.36 0.00 0.00 55.97 53.87 2k14 s LYS 50 Cb -0.26 0.15 -0.03 0.00 -1.68 0.00 0.00 37.83 36.02 2k14 s LYS 50 CO 0.31 -0.13 1.23 -1.12 -0.76 0.00 0.00 175.35 174.88 2k14 s SER 51 N -2.97 5.01 -0.00 2.83 0.01 -1.01 -1.10 113.70 116.48 2k14 s SER 51 Ca 0.12 2.45 -0.04 0.00 1.31 0.00 0.00 55.95 59.79 2k14 s SER 51 Cb 0.08 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.70 2k14 s SER 51 CO -0.06 -1.72 0.07 0.00 0.41 0.00 0.00 173.24 171.94 2k14 s ALA 52 N -1.56 -0.15 0.14 1.44 0.00 -0.03 -1.12 121.76 120.47 2k14 s ALA 52 Ca 0.79 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.64 2k14 s ALA 52 Cb -0.32 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 2k14 s ALA 52 CO 0.35 -0.15 -0.14 0.14 0.00 0.00 0.00 175.76 175.97 2k14 s VAL 53 N -1.00 1.38 -0.13 0.00 -7.23 0.03 -0.91 120.40 112.53 2k14 s VAL 53 Ca -0.11 -1.83 -0.29 0.00 -1.81 0.00 0.00 61.98 57.93 2k14 s VAL 53 Cb -0.06 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.21 2k14 s VAL 53 CO 0.00 -0.48 1.15 -0.55 -0.31 0.00 0.00 175.10 174.91 2k14 s SER 54 N -2.66 7.07 0.39 4.85 0.15 -1.26 -1.08 113.70 121.15 2k14 s SER 54 Ca 0.12 1.63 0.26 0.00 0.70 0.00 0.00 55.95 58.67 2k14 s SER 54 Cb -0.03 -2.55 0.80 0.00 -1.71 0.00 0.00 66.02 62.53 2k14 s SER 54 CO 0.03 -0.63 1.76 0.15 1.20 0.00 0.00 173.24 175.75 2k14 h PHE 55 N 7.61 0.00 0.00 3.44 3.57 -1.32 -3.36 116.94 126.89 2k14 h PHE 55 Ca -0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.22 2k14 h PHE 55 Cb 1.12 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.86 2k14 h PHE 55 CO 0.75 0.00 -0.00 -3.47 -2.23 0.00 0.00 178.31 173.36 2k14 n ASP 56 N -2.77 2.11 -4.00 0.41 2.03 -1.26 -5.00 116.55 108.06 2k14 n ASP 56 Ca 0.03 -2.37 -0.29 0.00 0.52 0.00 0.00 54.79 52.68 2k14 n ASP 56 Cb 0.41 -0.15 -0.01 0.00 -0.72 0.00 0.00 41.12 40.65 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 -1.84 -4.75 1.67 4.13 -1.26 -5.02 115.26 107.37 2k14 n ASN 57 Ca 0.06 -0.96 -0.27 0.00 1.68 0.00 0.00 54.58 55.08 2k14 n ASN 57 Cb 0.39 -3.17 -0.06 0.00 -1.54 0.00 0.00 39.78 35.39 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 -6.62 2.73 -0.25 3.52 -0.21 -1.26 -4.73 119.66 112.85 2k14 s GLN 58 Ca 0.30 -0.91 -0.23 0.00 0.02 0.00 0.00 55.36 54.54 2k14 s GLN 58 Cb -0.16 -2.57 -0.01 0.00 1.00 0.00 0.00 33.01 31.27 2k14 s GLN 58 CO 0.88 0.49 0.74 -1.14 -2.12 0.00 0.00 175.29 174.14 2k14 s GLN 59 N -2.92 4.15 -0.52 2.91 -0.44 -1.26 -3.20 119.66 118.38 2k14 s GLN 59 Ca 0.29 0.77 0.03 0.00 -2.50 0.00 0.00 55.36 53.95 2k14 s GLN 59 Cb -0.10 -3.64 0.13 0.00 -1.64 0.00 0.00 33.01 27.76 2k14 s GLN 59 CO 0.22 -0.46 0.27 0.42 0.50 0.00 0.00 175.29 176.23 2k14 s ILE 60 N 2.66 2.73 1.02 -2.34 1.01 0.21 -4.98 121.20 121.52 2k14 s ILE 60 Ca 0.31 -3.19 -0.12 0.00 0.00 0.00 0.00 60.65 57.65 2k14 s ILE 60 Cb -0.15 -2.88 0.20 0.00 0.01 0.00 0.00 42.46 39.64 2k14 s ILE 60 CO 0.08 -0.79 1.08 -0.44 0.00 0.00 0.00 174.94 174.86 2k14 s SER 61 N -0.05 2.16 0.27 3.58 0.01 -1.26 -0.85 113.70 117.56 2k14 s SER 61 Ca 0.16 1.72 -0.29 0.00 1.31 0.00 0.00 55.95 58.86 2k14 s SER 61 Cb -0.25 -2.36 -0.14 0.00 0.21 0.00 0.00 66.02 63.49 2k14 s SER 61 CO -0.01 -3.50 1.10 0.00 0.41 0.00 0.00 173.24 171.23 2k14 n TYR 62 N -4.47 1.46 -2.37 2.43 4.19 -1.26 -3.89 117.16 113.25 2k14 n TYR 62 Ca 0.07 0.66 -0.02 0.00 3.31 0.00 0.00 57.90 61.92 2k14 n TYR 62 Cb 0.54 -2.29 0.00 0.00 0.49 0.00 0.00 39.34 38.08 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 1.36 0.58 3.32 2.98 0.00 -0.06 -5.02 105.19 108.37 2k14 n GLY 63 Ca 0.10 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.64 1.78 -0.13 2.61 -1.32 -1.25 -4.97 115.64 109.72 2k14 s THR 64 Ca 0.03 -1.89 -0.21 0.00 -1.21 0.00 0.00 61.69 58.42 2k14 s THR 64 Cb -0.02 -1.81 -0.04 0.00 -1.51 0.00 0.00 72.50 69.13 2k14 s THR 64 CO 0.04 -0.31 0.59 -0.89 -2.21 0.00 0.00 174.62 171.84 2k14 s THR 65 N -2.01 5.10 0.03 5.08 2.01 -1.26 -2.19 115.64 122.39 2k14 s THR 65 Ca 0.15 1.17 0.03 0.00 0.31 0.00 0.00 61.69 63.35 2k14 s THR 65 Cb -0.06 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 2k14 s THR 65 CO 0.06 0.24 -0.11 0.68 -0.69 0.00 0.00 174.62 174.80 2k14 s VAL 66 N 1.08 0.82 -0.17 3.82 -7.23 -0.23 -1.58 120.40 116.90 2k14 s VAL 66 Ca 0.30 -0.86 -0.17 0.00 -1.81 0.00 0.00 61.98 59.45 2k14 s VAL 66 Cb -0.16 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.97 2k14 s VAL 66 CO 0.13 -0.07 0.43 -0.22 -0.31 0.00 0.00 175.10 175.05 2k14 s LEU 67 N -1.04 4.20 -0.06 1.32 2.96 0.05 -0.02 118.68 126.09 2k14 s LEU 67 Ca -0.01 0.63 -0.30 0.00 -0.22 0.00 0.00 54.13 54.23 2k14 s LEU 67 Cb -0.07 -2.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 2k14 s LEU 67 CO 0.01 -0.05 1.21 -0.69 -1.32 0.00 0.00 176.35 175.51 2k14 s VAL 68 N 1.04 4.25 0.00 1.68 1.01 -1.04 -1.71 120.40 125.63 2k14 s VAL 68 Ca 0.22 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.77 2k14 s VAL 68 Cb -0.15 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2k14 s VAL 68 CO 0.08 -0.01 0.00 1.33 0.00 0.00 0.00 175.10 176.50 2k14 n VAL 69 N 4.66 0.00 -3.77 2.92 0.24 0.11 -4.51 118.33 117.98 2k14 n VAL 69 Ca 0.11 -0.02 -0.09 0.00 -2.04 0.00 0.00 64.34 62.30 2k14 n VAL 69 Cb 0.46 0.49 -0.06 0.00 -1.47 0.00 0.00 33.84 33.26 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 -1.85 -0.04 -0.13 -1.34 -1.08 -0.96 -5.02 116.67 106.26 2k14 s ASP 70 Ca 0.00 -0.54 -0.09 0.00 -0.52 0.00 0.00 52.55 51.41 2k14 s ASP 70 Cb 0.00 0.41 0.04 0.00 -1.46 0.00 0.00 42.92 41.91 2k14 s ASP 70 CO 0.00 -0.80 0.32 -0.63 0.52 0.00 0.00 175.17 174.58 2k14 s ILE 71 N -3.85 -0.02 -0.36 4.11 1.01 -1.26 -0.21 121.20 120.62 2k14 s ILE 71 Ca 0.05 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.78 2k14 s ILE 71 Cb 0.03 -0.47 0.15 0.00 0.01 0.00 0.00 42.46 42.18 2k14 s ILE 71 CO -0.10 0.03 0.29 0.21 0.00 0.00 0.00 174.94 175.36 2k14 s ASN 72 N 0.80 2.14 -1.44 3.58 3.84 -0.29 -4.99 114.94 118.59 2k14 s ASN 72 Ca -0.05 -1.91 -0.11 0.00 0.21 0.00 0.00 52.86 51.00 2k14 s ASN 72 Cb -0.06 0.04 0.01 0.00 -0.55 0.00 0.00 41.25 40.70 2k14 s ASN 72 CO -0.06 -0.29 0.23 -3.20 -2.79 0.00 0.00 177.10 171.00 2k14 n ASN 73 N 4.13 -0.68 0.00 -4.21 5.15 -1.26 -1.11 115.26 117.28 2k14 n ASN 73 Ca 0.12 -1.27 0.00 0.00 -0.60 0.00 0.00 54.58 52.83 2k14 n ASN 73 Cb 0.41 -1.71 0.00 0.00 -0.53 0.00 0.00 39.78 37.95 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 -2.40 0.28 3.07 8.20 0.00 -1.26 -5.04 105.19 108.03 2k14 n GLY 74 Ca -0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 2.75 0.30 1.61 1.01 -0.27 -2.39 120.40 121.41 2k14 s VAL 75 Ca 0.00 -2.22 -0.21 0.00 0.00 0.00 0.00 61.98 59.54 2k14 s VAL 75 Cb 0.00 -2.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 2k14 s VAL 75 CO 0.00 -0.65 0.83 -0.76 0.00 0.00 0.00 175.10 174.53 2k14 s LEU 76 N 1.00 4.25 -0.22 3.92 1.02 -0.28 -1.13 118.68 127.24 2k14 s LEU 76 Ca 0.10 1.58 -0.05 0.00 0.02 0.00 0.00 54.13 55.77 2k14 s LEU 76 Cb -0.21 -3.93 -0.02 0.00 0.02 0.00 0.00 46.19 42.05 2k14 s LEU 76 CO -0.06 -0.09 0.01 -0.44 0.02 0.00 0.00 176.35 175.79 2k14 s SER 77 N -1.79 4.79 0.18 2.29 0.01 0.70 -0.79 113.70 119.09 2k14 s SER 77 Ca 0.50 -0.24 0.05 0.00 1.31 0.00 0.00 55.95 57.56 2k14 s SER 77 Cb -0.15 -1.83 -0.05 0.00 0.21 0.00 0.00 66.02 64.20 2k14 s SER 77 CO 0.20 0.03 -0.08 0.68 0.41 0.00 0.00 173.24 174.48 2k14 s VAL 78 N 1.23 1.22 -0.03 3.43 -7.23 -0.24 -0.72 120.40 118.07 2k14 s VAL 78 Ca 0.03 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.10 2k14 s VAL 78 Cb -0.15 -2.03 0.01 0.00 0.56 0.00 0.00 36.38 34.77 2k14 s VAL 78 CO 0.01 -0.60 0.08 0.28 -0.31 0.00 0.00 175.10 174.56 2k14 s THR 79 N -3.30 0.01 -0.83 5.32 -1.32 -0.70 -0.89 115.64 113.94 2k14 s THR 79 Ca 0.21 -0.09 -0.25 0.00 -1.21 0.00 0.00 61.69 60.35 2k14 s THR 79 Cb 0.03 -0.14 -0.02 0.00 -1.51 0.00 0.00 72.50 70.85 2k14 s THR 79 CO 0.04 -0.05 1.82 -2.16 -2.21 0.00 0.00 174.62 172.06 2k14 s PRO 80 N -0.12 2.74 0.32 7.08 0.04 -1.26 -0.77 135.00 143.03 2k14 s PRO 80 Ca -0.02 -0.14 -0.00 0.00 0.04 0.00 0.00 61.00 60.88 2k14 s PRO 80 Cb -0.01 -4.86 0.51 0.00 0.04 0.00 0.00 34.50 30.18 2k14 s PRO 80 CO 0.00 -2.98 1.96 1.25 0.04 0.00 0.00 177.00 177.28 2k14 h HIS 81 N 12.04 0.92 -6.89 0.56 2.76 -1.83 -3.48 115.15 119.23 2k14 h HIS 81 Ca -0.01 0.00 -0.49 0.00 -2.20 0.00 0.00 60.37 57.68 2k14 h HIS 81 Cb 1.05 -0.30 -0.08 0.00 1.55 0.00 0.00 27.41 29.63 2k14 h HIS 81 CO 1.17 0.61 -0.79 -1.91 -1.30 0.00 0.00 177.93 175.71 2k14 n GLU 82 N -4.40 -0.63 -1.46 5.26 2.13 -0.61 -4.93 120.64 116.00 2k14 n GLU 82 Ca 0.07 -0.01 -0.32 0.00 0.66 0.00 0.00 57.16 57.56 2k14 n GLU 82 Cb 0.06 -2.22 0.08 0.00 0.27 0.00 0.00 31.44 29.64 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 -6.76 2.41 0.00 5.31 0.04 -1.26 -5.05 135.00 129.68 2k14 s PRO 83 Ca 0.22 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2k14 s PRO 83 Cb -0.12 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2k14 s PRO 83 CO 0.78 -1.55 0.15 -0.89 0.04 0.00 0.00 177.00 175.53