#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 0.07 -0.43 1.61 0.02 -2.06 -1.47 113.55 111.29 2k14 h SER 2 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k14 h SER 2 Cb 0.00 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2k14 h SER 2 CO 0.00 0.04 0.28 -0.74 -1.14 0.00 0.00 176.83 175.27 2k14 h HIS 3 N 0.07 0.55 -0.19 3.45 2.76 -2.05 -0.54 115.15 119.20 2k14 h HIS 3 Ca 0.23 0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 58.24 2k14 h HIS 3 Cb 0.81 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.58 2k14 h HIS 3 CO -0.00 0.35 -0.56 1.98 -1.30 0.00 0.00 177.93 178.40 2k14 h MET 4 N 0.59 0.59 -0.51 5.26 1.85 -1.69 -0.53 114.93 120.49 2k14 h MET 4 Ca 0.16 -0.38 -0.08 0.00 -0.61 0.00 0.00 59.70 58.78 2k14 h MET 4 Cb -0.05 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.00 2k14 h MET 4 CO -0.03 0.99 -0.01 -0.07 -0.40 0.00 0.00 176.91 177.39 2k14 h LEU 5 N 0.45 0.89 -0.56 3.39 3.38 -1.42 -0.25 115.31 121.20 2k14 h LEU 5 Ca 0.01 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 2k14 h LEU 5 Cb 1.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2k14 h LEU 5 CO 0.11 0.99 0.20 -0.33 0.09 0.00 0.00 178.44 179.50 2k14 h GLU 6 N 0.77 0.85 -0.81 1.13 5.08 -1.10 -1.22 114.58 119.29 2k14 h GLU 6 Ca 0.14 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2k14 h GLU 6 Cb 0.54 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2k14 h GLU 6 CO 0.03 0.75 0.50 0.77 -1.00 0.00 0.00 179.01 180.06 2k14 h SER 7 N 0.77 0.95 -0.63 1.42 0.02 -0.94 -0.68 113.55 114.47 2k14 h SER 7 Ca 0.18 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2k14 h SER 7 Cb 0.24 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2k14 h SER 7 CO -0.01 0.72 0.24 -1.28 -1.14 0.00 0.00 176.83 175.36 2k14 h SER 8 N 1.10 0.88 -0.67 3.07 0.87 -0.85 -0.37 113.55 117.58 2k14 h SER 8 Ca 0.29 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 2k14 h SER 8 Cb -0.07 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.63 2k14 h SER 8 CO -0.06 0.82 0.20 0.00 -0.53 0.00 0.00 176.83 177.26 2k14 h ALA 9 N 1.09 0.88 -0.48 6.23 0.00 -0.92 -0.46 119.26 125.60 2k14 h ALA 9 Ca 0.21 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2k14 h ALA 9 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2k14 h ALA 9 CO -0.01 0.57 -0.13 0.93 0.00 0.00 0.00 179.25 180.61 2k14 h GLU 10 N 0.99 0.89 -0.32 0.00 5.08 -0.92 -0.51 114.58 119.78 2k14 h GLU 10 Ca 0.22 -0.32 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2k14 h GLU 10 Cb 0.32 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2k14 h GLU 10 CO -0.00 0.96 -0.22 0.93 -1.00 0.00 0.00 179.01 179.68 2k14 h GLU 11 N 0.79 0.62 -0.63 2.33 5.08 -0.94 -0.72 114.58 121.12 2k14 h GLU 11 Ca 0.13 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 2k14 h GLU 11 Cb 0.65 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2k14 h GLU 11 CO 0.05 0.79 0.17 1.03 -1.00 0.00 0.00 179.01 180.05 2k14 h SER 12 N 0.55 0.94 -0.53 1.42 0.87 -0.90 -1.67 113.55 114.23 2k14 h SER 12 Ca 0.08 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 2k14 h SER 12 Cb 0.67 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 2k14 h SER 12 CO 0.05 0.92 0.28 0.25 -0.53 0.00 0.00 176.83 177.80 2k14 h LEU 13 N 0.91 0.67 -1.29 2.23 6.46 -0.86 -0.71 115.31 122.72 2k14 h LEU 13 Ca 0.20 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2k14 h LEU 13 Cb 0.34 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 2k14 h LEU 13 CO -0.00 0.58 0.43 0.00 -0.62 0.00 0.00 178.44 178.83 2k14 h ALA 14 N 1.12 1.48 -0.31 1.25 0.00 -0.97 0.99 119.26 122.82 2k14 h ALA 14 Ca 0.19 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2k14 h ALA 14 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2k14 h ALA 14 CO -0.03 0.47 -0.06 -0.92 0.00 0.00 0.00 179.25 178.71 2k14 h TYR 15 N 0.93 0.65 -0.82 0.00 3.20 -0.87 -0.89 116.97 119.18 2k14 h TYR 15 Ca 0.25 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2k14 h TYR 15 Cb -0.07 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.00 2k14 h TYR 15 CO 0.00 0.76 0.48 0.00 -1.64 0.00 0.00 178.16 177.76 2k14 h ARG 16 N 0.36 1.12 -0.41 1.82 3.08 -0.72 -2.04 114.38 117.58 2k14 h ARG 16 Ca 0.08 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 2k14 h ARG 16 Cb 0.54 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2k14 h ARG 16 CO 0.03 0.79 -0.07 1.49 -1.07 0.00 0.00 179.97 181.14 2k14 h GLU 17 N 1.13 0.77 0.00 0.04 4.81 -0.73 -2.97 114.58 117.64 2k14 h GLU 17 Ca 0.29 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2k14 h GLU 17 Cb -0.03 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2k14 h GLU 17 CO -0.05 0.89 -0.18 0.22 -0.73 0.00 0.00 179.01 179.16 2k14 h ASP 18 N 0.60 0.00 0.06 1.04 3.58 -0.93 -1.68 116.42 119.08 2k14 h ASP 18 Ca 0.11 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 2k14 h ASP 18 Cb 0.59 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.63 2k14 h ASP 18 CO 0.03 0.18 -0.07 -0.78 -2.88 0.00 0.00 179.24 175.72 2k14 h ASP 19 N 0.00 0.03 0.23 2.28 3.58 -1.21 -2.26 116.42 119.08 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 0.38 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2k14 h ASP 19 CO 0.02 0.11 0.00 0.18 -2.88 0.00 0.00 179.24 176.68 2k14 n LEU 20 N -4.43 0.58 0.02 2.28 4.77 -0.63 -2.04 117.00 117.54 2k14 n LEU 20 Ca -0.02 0.72 0.03 0.00 -0.03 0.00 0.00 56.01 56.71 2k14 n LEU 20 Cb 0.16 -0.74 0.14 0.00 -2.33 0.00 0.00 43.42 40.65 2k14 n LEU 20 CO 0.35 -0.82 0.60 -1.14 -1.33 0.00 0.00 177.39 175.05 2k14 n ARG 21 N -2.23 0.02 -0.69 3.23 0.63 -0.85 -1.37 116.66 115.41 2k14 n ARG 21 Ca -0.00 0.45 0.08 0.00 -0.92 0.00 0.00 57.85 57.46 2k14 n ARG 21 Cb 0.09 -1.56 0.35 0.00 0.45 0.00 0.00 32.46 31.80 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 -1.09 3.17 3.25 5.14 0.00 -0.86 -4.56 105.19 110.24 2k14 n GLY 22 Ca 0.01 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.45 1.06 0.08 1.61 0.52 -0.47 -5.07 118.95 114.23 2k14 s ARG 23 Ca 0.49 -1.44 -0.03 0.00 -0.52 0.00 0.00 55.73 54.24 2k14 s ARG 23 Cb 0.36 -0.65 -0.05 0.00 0.52 0.00 0.00 34.95 35.13 2k14 s ARG 23 CO 0.17 0.08 0.28 -1.17 0.02 0.00 0.00 175.30 174.68 2k14 s LEU 24 N -3.12 4.33 0.00 2.53 2.96 -1.26 -2.35 118.68 121.77 2k14 s LEU 24 Ca 0.16 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.52 2k14 s LEU 24 Cb 0.02 -3.03 -0.01 0.00 0.50 0.00 0.00 46.19 43.67 2k14 s LEU 24 CO 0.01 0.14 0.16 0.61 -1.32 0.00 0.00 176.35 175.95 2k14 n GLY 25 N 0.35 3.27 2.86 7.98 0.00 0.10 -1.17 105.19 118.58 2k14 n GLY 25 Ca -0.05 -1.69 -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 -2.57 0.13 0.17 1.61 2.47 0.55 -1.10 119.74 121.00 2k14 s LYS 26 Ca 0.17 0.48 -0.30 0.00 -1.56 0.00 0.00 55.97 54.77 2k14 s LYS 26 Cb 0.01 -0.56 -0.08 0.00 -1.46 0.00 0.00 37.83 35.74 2k14 s LYS 26 CO 0.12 -0.43 1.18 0.08 0.16 0.00 0.00 175.35 176.46 2k14 s VAL 27 N 2.34 3.65 0.00 4.02 1.01 -0.83 -1.35 120.40 129.25 2k14 s VAL 27 Ca 0.04 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.40 2k14 s VAL 27 Cb -0.13 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2k14 s VAL 27 CO -0.09 0.21 0.00 2.30 0.00 0.00 0.00 175.10 177.52 2k14 n ILE 28 N 2.59 0.00 -3.72 2.22 -5.35 -0.15 -0.87 119.36 114.09 2k14 n ILE 28 Ca 0.04 -0.33 -0.14 0.00 -0.27 0.00 0.00 62.75 62.05 2k14 n ILE 28 Cb 0.45 0.99 -0.15 0.00 -1.74 0.00 0.00 39.64 39.19 2k14 n ILE 28 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2k14 s THR 29 N -0.69 -0.12 0.38 7.28 2.01 -1.15 -4.91 115.64 118.45 2k14 s THR 29 Ca 0.00 0.23 -0.27 0.00 0.31 0.00 0.00 61.69 61.96 2k14 s THR 29 Cb 0.00 -0.27 -0.11 0.00 0.01 0.00 0.00 72.50 72.13 2k14 s THR 29 CO 0.00 0.09 1.30 0.00 -0.69 0.00 0.00 174.62 175.33 2k14 n ALA 30 N 4.54 1.42 -3.94 7.40 0.00 -1.26 -1.31 120.51 127.35 2k14 n ALA 30 Ca -0.20 0.31 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 2k14 n ALA 30 Cb 0.51 -2.28 -0.14 0.00 0.00 0.00 0.00 19.45 17.54 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 -1.15 2.64 0.98 0.00 1.01 -0.02 -3.58 120.40 120.28 2k14 s VAL 31 Ca 0.58 -2.76 -0.13 0.00 0.00 0.00 0.00 61.98 59.66 2k14 s VAL 31 Cb -0.53 -2.86 0.18 0.00 0.00 0.00 0.00 36.38 33.17 2k14 s VAL 31 CO 0.60 -0.71 1.12 -2.16 0.00 0.00 0.00 175.10 173.95 2k14 s PRO 32 N 0.36 0.59 0.66 2.72 0.04 -1.26 -0.54 135.00 137.57 2k14 s PRO 32 Ca 0.14 0.34 0.38 0.00 0.04 0.00 0.00 61.00 61.90 2k14 s PRO 32 Cb -0.22 -1.77 2.10 0.00 0.04 0.00 0.00 34.50 34.64 2k14 s PRO 32 CO -0.04 -2.58 2.19 -0.39 0.04 0.00 0.00 177.00 176.22 2k14 h VAL 33 N -1.78 0.03 -0.04 -0.36 -1.51 -1.80 -2.54 116.25 108.25 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 0.87 -0.32 0.00 -2.13 0.00 0.00 31.29 31.04 2k14 h VAL 33 CO 0.58 0.00 -0.84 -0.67 -1.23 0.00 0.00 177.57 175.41 2k14 n ASP 34 N -3.05 0.48 -0.10 4.19 2.03 -1.26 -4.36 116.55 114.49 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 0.20 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 0.22 4.79 3.17 0.27 0.00 -0.96 -5.10 105.19 107.59 2k14 n GLY 35 Ca -0.03 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.41 1.38 0.00 1.61 0.40 -1.26 -4.20 117.98 114.50 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 0.06 0.00 0.41 0.70 0.00 0.00 175.22 176.39 2k14 n GLY 37 N 1.83 4.75 3.13 4.36 0.00 -0.23 -4.60 105.19 114.42 2k14 n GLY 37 Ca -0.18 -0.67 -0.09 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 3.90 0.61 0.07 1.61 2.02 -0.43 -0.79 118.70 125.69 2k14 s GLU 38 Ca 0.00 -0.77 -0.08 0.00 0.02 0.00 0.00 54.97 54.14 2k14 s GLU 38 Cb 0.00 0.24 -0.00 0.00 0.10 0.00 0.00 34.13 34.47 2k14 s GLU 38 CO 0.00 -0.16 0.16 0.54 0.02 0.00 0.00 175.26 175.83 2k14 s VAL 39 N -2.73 0.14 0.04 2.63 0.11 -0.18 -0.97 120.40 119.43 2k14 s VAL 39 Ca -0.04 -1.14 0.05 0.00 -2.93 0.00 0.00 61.98 57.92 2k14 s VAL 39 Cb -0.00 -1.19 -0.02 0.00 -1.53 0.00 0.00 36.38 33.63 2k14 s VAL 39 CO -0.05 -0.63 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.24 2k14 s VAL 40 N -3.38 1.23 0.47 2.04 1.01 -0.45 -0.74 120.40 120.58 2k14 s VAL 40 Ca 0.01 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 60.75 2k14 s VAL 40 Cb 0.03 -1.10 -0.07 0.00 0.00 0.00 0.00 36.38 35.23 2k14 s VAL 40 CO -0.08 0.06 1.12 -0.63 0.00 0.00 0.00 175.10 175.56 2k14 s ILE 41 N -0.82 3.33 -0.21 2.22 -1.09 -1.26 -0.33 121.20 123.03 2k14 s ILE 41 Ca 0.03 0.93 0.18 0.00 -2.23 0.00 0.00 60.65 59.56 2k14 s ILE 41 Cb -0.08 -3.44 0.18 0.00 -1.58 0.00 0.00 42.46 37.54 2k14 s ILE 41 CO 0.01 -0.08 1.53 -0.62 -1.23 0.00 0.00 174.94 174.56 2k14 n GLU 42 N -0.68 0.12 -0.40 2.79 -0.58 -0.32 -3.16 120.64 118.41 2k14 n GLU 42 Ca 0.08 0.61 -0.01 0.00 -0.42 0.00 0.00 57.16 57.42 2k14 n GLU 42 Cb 0.50 -1.95 -0.02 0.00 -0.57 0.00 0.00 31.44 29.40 2k14 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k14 n GLY 43 N -1.31 1.96 0.40 0.62 0.00 -1.26 -4.76 105.19 100.84 2k14 n GLY 43 Ca -0.01 -0.11 0.17 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 1.43 0.10 0.00 -0.61 -0.00 -1.90 0.60 117.51 117.13 2k14 h ILE 44 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.88 2k14 h ILE 44 Cb 0.75 0.37 0.00 0.00 -0.00 0.00 0.00 36.82 37.94 2k14 h ILE 44 CO 0.04 0.00 0.00 1.23 -0.00 0.00 0.00 178.15 179.42 2k14 h GLY 45 N 0.00 0.00 0.00 0.16 0.00 -1.92 -3.39 103.07 97.93 2k14 h GLY 45 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 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 -0.34 1.00 3.66 4.60 0.00 0.08 -5.14 105.19 109.05 2k14 n GLY 46 Ca 0.01 0.00 -0.30 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 1.66 -0.04 2.61 -4.23 -0.47 -5.10 115.64 110.07 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 71.26 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 -3.18 1.15 0.40 2.99 -1.09 -1.26 -4.93 121.20 115.27 2k14 s ILE 48 Ca 0.72 -0.54 -0.25 0.00 -2.23 0.00 0.00 60.65 58.34 2k14 s ILE 48 Cb -0.08 -1.01 -0.09 0.00 -1.58 0.00 0.00 42.46 39.70 2k14 s ILE 48 CO 0.55 0.34 1.18 -0.44 -1.23 0.00 0.00 174.94 175.35 2k14 s SER 49 N 0.26 6.52 0.05 3.58 0.01 -1.26 -4.33 113.70 118.52 2k14 s SER 49 Ca -0.06 2.38 -0.01 0.00 1.31 0.00 0.00 55.95 59.56 2k14 s SER 49 Cb -0.12 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 2k14 s SER 49 CO 0.02 -0.68 -0.01 -0.54 0.41 0.00 0.00 173.24 172.44 2k14 s LYS 50 N -2.26 0.58 0.62 12.44 -0.14 0.08 -5.00 119.74 126.06 2k14 s LYS 50 Ca 0.57 -1.10 -0.16 0.00 -1.36 0.00 0.00 55.97 53.91 2k14 s LYS 50 Cb -0.32 0.20 -0.02 0.00 -1.68 0.00 0.00 37.83 36.02 2k14 s LYS 50 CO 0.40 -0.11 1.12 -1.12 -0.76 0.00 0.00 175.35 174.87 2k14 s SER 51 N -2.68 5.31 0.01 2.83 0.01 -0.96 -1.01 113.70 117.21 2k14 s SER 51 Ca 0.03 2.06 -0.06 0.00 1.31 0.00 0.00 55.95 59.30 2k14 s SER 51 Cb 0.05 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.71 2k14 s SER 51 CO -0.09 -1.49 0.10 0.00 0.41 0.00 0.00 173.24 172.17 2k14 s ALA 52 N -2.15 -0.21 0.12 1.44 0.00 0.02 -1.26 121.76 119.73 2k14 s ALA 52 Ca 0.69 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.44 2k14 s ALA 52 Cb -0.22 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2k14 s ALA 52 CO 0.37 -0.21 -0.14 0.14 0.00 0.00 0.00 175.76 175.91 2k14 s VAL 53 N -1.51 1.34 -0.16 0.00 -7.23 -0.06 -1.07 120.40 111.71 2k14 s VAL 53 Ca -0.14 -1.69 -0.29 0.00 -1.81 0.00 0.00 61.98 58.05 2k14 s VAL 53 Cb -0.08 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.35 2k14 s VAL 53 CO 0.01 -0.39 1.07 -0.55 -0.31 0.00 0.00 175.10 174.93 2k14 s SER 54 N -2.39 7.13 0.12 4.85 0.15 -1.26 -1.10 113.70 121.19 2k14 s SER 54 Ca 0.08 1.52 0.26 0.00 0.70 0.00 0.00 55.95 58.52 2k14 s SER 54 Cb -0.05 -2.55 0.98 0.00 -1.71 0.00 0.00 66.02 62.69 2k14 s SER 54 CO 0.03 -0.59 1.81 0.33 1.20 0.00 0.00 173.24 176.02 2k14 n PHE 55 N 5.75 0.49 -0.89 3.44 7.35 -0.16 -4.09 117.46 129.34 2k14 n PHE 55 Ca 0.11 0.15 0.05 0.00 -0.76 0.00 0.00 57.45 57.00 2k14 n PHE 55 Cb 0.47 -0.75 0.07 0.00 0.35 0.00 0.00 39.48 39.62 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 -1.91 1.72 -4.05 -2.13 2.03 -1.26 -5.01 116.55 105.93 2k14 n ASP 56 Ca 0.06 -2.45 -0.29 0.00 0.52 0.00 0.00 54.79 52.63 2k14 n ASP 56 Cb 0.36 -0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.50 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 -0.85 -1.32 -4.83 1.67 4.13 -1.26 -5.01 115.26 107.80 2k14 n ASN 57 Ca 0.08 -1.01 -0.25 0.00 1.68 0.00 0.00 54.58 55.07 2k14 n ASN 57 Cb 0.53 -2.92 -0.05 0.00 -1.54 0.00 0.00 39.78 35.80 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 -6.72 3.02 -1.07 3.52 -1.52 -1.26 -4.69 119.66 110.94 2k14 s GLN 58 Ca 0.25 -0.84 -0.12 0.00 -1.95 0.00 0.00 55.36 52.70 2k14 s GLN 58 Cb -0.14 -2.70 0.22 0.00 -0.22 0.00 0.00 33.01 30.18 2k14 s GLN 58 CO 0.90 0.48 1.15 -1.14 -0.25 0.00 0.00 175.29 176.43 2k14 s GLN 59 N -3.26 4.02 -0.82 2.91 0.74 -1.26 -2.82 119.66 119.17 2k14 s GLN 59 Ca 0.32 -2.78 -0.26 0.00 0.05 0.00 0.00 55.36 52.70 2k14 s GLN 59 Cb -0.10 -4.71 0.03 0.00 1.10 0.00 0.00 33.01 29.33 2k14 s GLN 59 CO 0.25 -1.45 1.37 0.42 -0.55 0.00 0.00 175.29 175.33 2k14 s ILE 60 N 0.15 3.76 1.00 -2.34 1.01 0.30 -4.90 121.20 120.17 2k14 s ILE 60 Ca 0.32 0.05 -0.13 0.00 0.00 0.00 0.00 60.65 60.89 2k14 s ILE 60 Cb -0.07 -4.90 0.19 0.00 0.01 0.00 0.00 42.46 37.68 2k14 s ILE 60 CO -0.06 -1.83 1.10 -0.55 0.00 0.00 0.00 174.94 173.61 2k14 s SER 61 N 4.36 2.65 0.37 3.58 0.15 -1.26 -0.84 113.70 122.71 2k14 s SER 61 Ca 0.40 1.09 -0.27 0.00 0.70 0.00 0.00 55.95 57.87 2k14 s SER 61 Cb -0.06 -1.71 -0.12 0.00 -1.71 0.00 0.00 66.02 62.42 2k14 s SER 61 CO 0.08 -3.10 1.18 0.00 1.20 0.00 0.00 173.24 172.59 2k14 n TYR 62 N -4.14 1.85 -1.94 3.44 4.19 -1.26 -3.87 117.16 115.43 2k14 n TYR 62 Ca 0.06 0.57 -0.06 0.00 3.31 0.00 0.00 57.90 61.77 2k14 n TYR 62 Cb 0.58 -2.34 -0.01 0.00 0.49 0.00 0.00 39.34 38.06 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 0.94 0.26 3.53 2.98 0.00 -0.05 -5.01 105.19 107.84 2k14 n GLY 63 Ca 0.07 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.28 2.96 -0.19 2.61 -1.32 -1.25 -4.94 115.64 111.22 2k14 s THR 64 Ca 0.00 -1.72 -0.17 0.00 -1.21 0.00 0.00 61.69 58.59 2k14 s THR 64 Cb 0.00 -2.44 -0.04 0.00 -1.51 0.00 0.00 72.50 68.51 2k14 s THR 64 CO 0.00 -0.08 0.44 -0.89 -2.21 0.00 0.00 174.62 171.88 2k14 s THR 65 N -1.62 5.17 0.04 5.08 2.01 -1.26 -1.97 115.64 123.09 2k14 s THR 65 Ca 0.23 0.80 0.05 0.00 0.31 0.00 0.00 61.69 63.08 2k14 s THR 65 Cb -0.09 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.63 2k14 s THR 65 CO 0.13 0.24 -0.16 0.68 -0.69 0.00 0.00 174.62 174.82 2k14 s VAL 66 N 1.35 1.23 -0.18 3.82 -7.23 -0.26 -1.81 120.40 117.32 2k14 s VAL 66 Ca 0.21 -1.04 -0.15 0.00 -1.81 0.00 0.00 61.98 59.19 2k14 s VAL 66 Cb -0.15 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 2k14 s VAL 66 CO 0.09 0.05 0.34 -0.22 -0.31 0.00 0.00 175.10 175.05 2k14 s LEU 67 N -1.15 4.20 -0.04 1.32 2.96 0.13 0.01 118.68 126.11 2k14 s LEU 67 Ca 0.03 0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 54.15 2k14 s LEU 67 Cb -0.08 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 2k14 s LEU 67 CO 0.01 0.02 1.23 -0.69 -1.32 0.00 0.00 176.35 175.60 2k14 s VAL 68 N 0.87 4.15 0.00 1.68 1.01 -0.99 -1.70 120.40 125.42 2k14 s VAL 68 Ca 0.18 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.65 2k14 s VAL 68 Cb -0.14 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2k14 s VAL 68 CO 0.06 0.01 0.00 1.33 0.00 0.00 0.00 175.10 176.50 2k14 n VAL 69 N 4.58 0.00 -3.82 2.92 0.24 0.11 -4.50 118.33 117.86 2k14 n VAL 69 Ca 0.11 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.32 2k14 n VAL 69 Cb 0.46 0.38 -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 -1.99 -0.06 -0.09 -1.34 -1.08 -0.99 -5.03 116.67 106.09 2k14 s ASP 70 Ca 0.00 -0.62 -0.09 0.00 -0.52 0.00 0.00 52.55 51.32 2k14 s ASP 70 Cb 0.00 0.45 0.02 0.00 -1.46 0.00 0.00 42.92 41.93 2k14 s ASP 70 CO 0.00 -0.88 0.26 -0.63 0.52 0.00 0.00 175.17 174.44 2k14 s ILE 71 N -3.89 0.00 0.17 4.11 1.01 -1.26 -0.29 121.20 121.05 2k14 s ILE 71 Ca 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.76 2k14 s ILE 71 Cb 0.03 -0.37 -0.05 0.00 0.01 0.00 0.00 42.46 42.08 2k14 s ILE 71 CO -0.06 -0.01 -0.04 0.21 0.00 0.00 0.00 174.94 175.05 2k14 s ASN 72 N 0.10 1.54 -0.75 3.58 3.84 -0.59 -4.97 114.94 117.69 2k14 s ASN 72 Ca -0.00 -1.12 -0.28 0.00 0.21 0.00 0.00 52.86 51.67 2k14 s ASN 72 Cb -0.02 0.05 -0.15 0.00 -0.55 0.00 0.00 41.25 40.58 2k14 s ASN 72 CO 0.00 -0.47 2.54 -3.20 -2.79 0.00 0.00 177.10 173.18 2k14 n ASN 73 N -0.26 1.25 -0.15 -4.21 5.15 -1.26 -0.87 115.26 114.91 2k14 n ASN 73 Ca -0.08 -0.24 -0.02 0.00 -0.60 0.00 0.00 54.58 53.64 2k14 n ASN 73 Cb 0.62 -1.25 -0.01 0.00 -0.53 0.00 0.00 39.78 38.61 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 6.24 0.36 2.61 8.20 0.00 -1.26 -4.96 105.19 116.39 2k14 n GLY 74 Ca 0.52 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.51 0.94 0.43 1.61 1.01 -0.05 -2.26 120.40 120.57 2k14 s VAL 75 Ca 0.00 -2.30 -0.22 0.00 0.00 0.00 0.00 61.98 59.46 2k14 s VAL 75 Cb 0.00 -1.67 -0.10 0.00 0.00 0.00 0.00 36.38 34.61 2k14 s VAL 75 CO 0.00 -0.95 0.98 -0.76 0.00 0.00 0.00 175.10 174.37 2k14 s LEU 76 N 0.55 3.99 -0.23 3.92 1.02 -0.39 -1.54 118.68 126.00 2k14 s LEU 76 Ca 0.19 1.80 -0.06 0.00 0.02 0.00 0.00 54.13 56.08 2k14 s LEU 76 Cb -0.22 -4.45 -0.02 0.00 0.02 0.00 0.00 46.19 41.52 2k14 s LEU 76 CO -0.01 -0.43 0.02 -0.44 0.02 0.00 0.00 176.35 175.51 2k14 s SER 77 N -2.01 4.81 0.20 2.29 0.01 0.60 -0.89 113.70 118.72 2k14 s SER 77 Ca 0.61 -0.26 0.05 0.00 1.31 0.00 0.00 55.95 57.66 2k14 s SER 77 Cb -0.13 -1.85 -0.05 0.00 0.21 0.00 0.00 66.02 64.20 2k14 s SER 77 CO 0.17 -0.01 -0.06 0.68 0.41 0.00 0.00 173.24 174.43 2k14 s VAL 78 N 1.44 1.21 -0.04 3.43 -7.23 -0.26 -0.71 120.40 118.25 2k14 s VAL 78 Ca 0.05 -2.07 -0.04 0.00 -1.81 0.00 0.00 61.98 58.11 2k14 s VAL 78 Cb -0.15 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.68 2k14 s VAL 78 CO 0.01 -0.52 0.11 0.28 -0.31 0.00 0.00 175.10 174.67 2k14 s THR 79 N -3.30 0.01 -0.89 5.32 -1.32 -0.69 -0.99 115.64 113.78 2k14 s THR 79 Ca 0.23 -0.08 -0.25 0.00 -1.21 0.00 0.00 61.69 60.39 2k14 s THR 79 Cb 0.04 -0.19 -0.03 0.00 -1.51 0.00 0.00 72.50 70.80 2k14 s THR 79 CO 0.05 -0.04 1.87 -2.16 -2.21 0.00 0.00 174.62 172.13 2k14 s PRO 80 N -0.09 2.69 0.22 7.08 0.04 -1.26 -0.69 135.00 142.99 2k14 s PRO 80 Ca -0.02 -0.30 -0.06 0.00 0.04 0.00 0.00 61.00 60.66 2k14 s PRO 80 Cb -0.02 -5.02 0.19 0.00 0.04 0.00 0.00 34.50 29.69 2k14 s PRO 80 CO 0.00 -3.16 1.69 1.25 0.04 0.00 0.00 177.00 176.82 2k14 h HIS 81 N 11.44 1.01 -6.93 0.56 2.76 -1.81 -3.48 115.15 118.71 2k14 h HIS 81 Ca 0.07 -0.16 -0.49 0.00 -2.20 0.00 0.00 60.37 57.58 2k14 h HIS 81 Cb 1.02 -0.27 -0.07 0.00 1.55 0.00 0.00 27.41 29.64 2k14 h HIS 81 CO 1.21 0.92 -0.80 0.39 -1.30 0.00 0.00 177.93 178.34 2k14 n GLU 82 N -4.19 -0.57 -1.31 5.26 1.02 -0.75 -4.94 120.64 115.15 2k14 n GLU 82 Ca 0.03 -0.02 -0.32 0.00 -0.02 0.00 0.00 57.16 56.84 2k14 n GLU 82 Cb 0.33 -2.16 0.09 0.00 -0.02 0.00 0.00 31.44 29.68 2k14 n GLU 82 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2k14 s PRO 83 N -6.85 2.24 0.00 3.49 0.04 -1.26 -5.08 135.00 127.58 2k14 s PRO 83 Ca 0.26 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2k14 s PRO 83 Cb -0.14 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2k14 s PRO 83 CO 0.79 -1.67 0.14 -0.89 0.04 0.00 0.00 177.00 175.42