#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 0.68 -0.21 1.61 4.64 -2.05 -1.28 113.55 116.94 2k14 h SER 2 Ca 0.00 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 2k14 h SER 2 Cb 0.00 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2k14 h SER 2 CO 0.00 0.43 0.14 1.12 -0.87 0.00 0.00 176.83 177.66 2k14 h HIS 3 N 0.77 0.16 -0.04 4.77 -0.00 -2.05 -0.56 115.15 118.19 2k14 h HIS 3 Ca 0.33 0.00 -0.21 0.00 -0.00 0.00 0.00 60.37 60.49 2k14 h HIS 3 Cb 0.29 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 2k14 h HIS 3 CO -0.00 0.09 -0.86 0.52 -0.00 0.00 0.00 177.93 177.69 2k14 h MET 4 N 0.16 0.44 -0.46 5.12 0.00 -1.66 -1.12 114.93 117.42 2k14 h MET 4 Ca 0.09 -0.42 -0.11 0.00 0.00 0.00 0.00 59.70 59.25 2k14 h MET 4 Cb 0.15 0.11 -0.01 0.00 0.00 0.00 0.00 31.60 31.85 2k14 h MET 4 CO -0.01 1.07 -0.16 -0.07 0.00 0.00 0.00 176.91 177.74 2k14 h LEU 5 N 0.27 0.93 -0.54 1.22 3.38 -1.25 -0.40 115.31 118.93 2k14 h LEU 5 Ca -0.06 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 2k14 h LEU 5 Cb 1.47 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 2k14 h LEU 5 CO 0.15 1.10 0.22 -0.33 0.09 0.00 0.00 178.44 179.67 2k14 h GLU 6 N 0.76 0.80 -0.88 1.13 5.08 -1.15 -1.15 114.58 119.16 2k14 h GLU 6 Ca 0.11 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2k14 h GLU 6 Cb 0.72 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 2k14 h GLU 6 CO 0.06 0.70 0.55 0.77 -1.00 0.00 0.00 179.01 180.08 2k14 h SER 7 N 0.73 1.05 -0.56 1.42 0.02 -1.09 -0.91 113.55 114.21 2k14 h SER 7 Ca 0.18 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 2k14 h SER 7 Cb 0.19 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2k14 h SER 7 CO -0.02 0.80 0.08 0.28 -1.14 0.00 0.00 176.83 176.84 2k14 h SER 8 N 1.21 0.93 -0.51 3.07 0.02 -0.84 -0.38 113.55 117.04 2k14 h SER 8 Ca 0.32 -0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 2k14 h SER 8 Cb -0.07 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 2k14 h SER 8 CO -0.06 0.94 -0.05 0.00 -1.14 0.00 0.00 176.83 176.52 2k14 h ALA 9 N 1.17 0.70 -0.58 3.77 0.00 -0.88 -0.64 119.26 122.79 2k14 h ALA 9 Ca 0.18 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2k14 h ALA 9 Cb 0.42 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2k14 h ALA 9 CO 0.01 0.56 -0.02 0.93 0.00 0.00 0.00 179.25 180.73 2k14 h GLU 10 N 0.81 1.03 -0.61 0.00 5.08 -0.97 -0.94 114.58 118.97 2k14 h GLU 10 Ca 0.14 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 2k14 h GLU 10 Cb 0.59 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2k14 h GLU 10 CO 0.04 1.02 0.09 0.93 -1.00 0.00 0.00 179.01 180.08 2k14 h GLU 11 N 0.94 1.01 -0.78 2.33 5.08 -1.03 -1.10 114.58 121.02 2k14 h GLU 11 Ca 0.16 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2k14 h GLU 11 Cb 0.57 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2k14 h GLU 11 CO 0.03 0.93 0.35 0.77 -1.00 0.00 0.00 179.01 180.10 2k14 h SER 12 N 0.94 1.04 -0.49 1.42 0.02 -0.85 -0.97 113.55 114.66 2k14 h SER 12 Ca 0.19 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2k14 h SER 12 Cb 0.43 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2k14 h SER 12 CO 0.01 0.90 0.12 0.25 -1.14 0.00 0.00 176.83 176.97 2k14 h LEU 13 N 1.12 0.74 -1.33 5.07 6.46 -0.98 -1.70 115.31 124.68 2k14 h LEU 13 Ca 0.27 -0.23 0.03 0.00 -0.12 0.00 0.00 57.88 57.83 2k14 h LEU 13 Cb 0.15 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 2k14 h LEU 13 CO -0.03 0.77 0.47 0.00 -0.62 0.00 0.00 178.44 179.04 2k14 h ALA 14 N 0.99 1.59 -0.40 1.25 0.00 -0.75 0.63 119.26 122.57 2k14 h ALA 14 Ca 0.15 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2k14 h ALA 14 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2k14 h ALA 14 CO 0.00 0.34 -0.28 1.88 0.00 0.00 0.00 179.25 181.19 2k14 h TYR 15 N 0.87 0.98 -0.71 0.00 0.05 -0.92 -0.28 116.97 116.96 2k14 h TYR 15 Ca 0.29 -0.25 -0.07 0.00 0.05 0.00 0.00 58.73 58.75 2k14 h TYR 15 Cb 0.06 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 2k14 h TYR 15 CO -0.00 1.02 0.18 0.00 -1.05 0.00 0.00 178.16 178.31 2k14 h ARG 16 N 0.72 1.12 -0.52 4.88 3.08 -0.67 -2.66 114.38 120.33 2k14 h ARG 16 Ca 0.09 -0.26 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 2k14 h ARG 16 Cb 0.82 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 2k14 h ARG 16 CO 0.07 0.98 -0.00 1.49 -1.07 0.00 0.00 179.97 181.44 2k14 h GLU 17 N 1.06 0.93 0.00 0.04 4.81 -0.78 -2.95 114.58 117.69 2k14 h GLU 17 Ca 0.22 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2k14 h GLU 17 Cb 0.36 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 2k14 h GLU 17 CO 0.00 0.95 -0.01 0.22 -0.73 0.00 0.00 179.01 179.43 2k14 h ASP 18 N 0.80 0.00 0.06 1.04 3.58 -0.93 -0.96 116.42 120.01 2k14 h ASP 18 Ca 0.15 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 2k14 h ASP 18 Cb 0.53 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 2k14 h ASP 18 CO 0.03 0.01 -0.06 -0.78 -2.88 0.00 0.00 179.24 175.56 2k14 h ASP 19 N 0.00 0.00 0.51 2.28 3.58 -1.29 -2.25 116.42 119.25 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 0.02 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2k14 h ASP 19 CO 0.00 0.07 0.00 0.18 -2.88 0.00 0.00 179.24 176.61 2k14 n LEU 20 N -4.46 0.37 0.12 2.28 4.77 -0.36 -2.96 117.00 116.74 2k14 n LEU 20 Ca -0.03 0.60 0.09 0.00 -0.03 0.00 0.00 56.01 56.64 2k14 n LEU 20 Cb 0.14 -0.57 0.44 0.00 -2.33 0.00 0.00 43.42 41.11 2k14 n LEU 20 CO 0.35 -0.49 0.76 -1.14 -1.33 0.00 0.00 177.39 175.54 2k14 n ARG 21 N -1.92 0.11 -0.75 3.23 0.63 -0.85 -1.24 116.66 115.89 2k14 n ARG 21 Ca 0.02 0.57 0.08 0.00 -0.92 0.00 0.00 57.85 57.60 2k14 n ARG 21 Cb 0.17 -1.84 0.38 0.00 0.45 0.00 0.00 32.46 31.62 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 -1.12 2.91 3.30 5.14 0.00 -1.16 -4.60 105.19 109.66 2k14 n GLY 22 Ca -0.00 -0.90 -0.17 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 -2.31 1.19 0.17 1.61 0.52 -0.37 -5.07 118.95 114.69 2k14 s ARG 23 Ca 0.53 -1.49 -0.05 0.00 -0.52 0.00 0.00 55.73 54.20 2k14 s ARG 23 Cb 0.37 -0.90 -0.06 0.00 0.52 0.00 0.00 34.95 34.89 2k14 s ARG 23 CO 0.20 0.14 0.42 -1.17 0.02 0.00 0.00 175.30 174.91 2k14 s LEU 24 N -3.16 4.23 0.00 2.53 2.96 -1.26 -2.50 118.68 121.48 2k14 s LEU 24 Ca 0.19 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 54.73 2k14 s LEU 24 Cb 0.00 -3.36 -0.01 0.00 0.50 0.00 0.00 46.19 43.33 2k14 s LEU 24 CO 0.04 0.00 0.11 0.61 -1.32 0.00 0.00 176.35 175.79 2k14 n GLY 25 N -0.14 3.43 2.79 7.98 0.00 1.00 -1.30 105.19 118.96 2k14 n GLY 25 Ca -0.02 -1.66 -0.18 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.39 0.07 0.18 1.61 2.47 0.60 -1.29 119.74 120.99 2k14 s LYS 26 Ca 0.12 0.41 -0.30 0.00 -1.56 0.00 0.00 55.97 54.64 2k14 s LYS 26 Cb 0.00 -0.66 -0.08 0.00 -1.46 0.00 0.00 37.83 35.64 2k14 s LYS 26 CO 0.09 -0.43 1.14 0.08 0.16 0.00 0.00 175.35 176.39 2k14 s VAL 27 N 2.29 3.74 0.00 4.02 1.01 -1.03 -1.30 120.40 129.13 2k14 s VAL 27 Ca 0.04 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.50 2k14 s VAL 27 Cb -0.13 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2k14 s VAL 27 CO -0.08 0.25 0.00 2.30 0.00 0.00 0.00 175.10 177.57 2k14 n ILE 28 N 2.43 0.00 -3.81 2.22 -5.35 -0.18 -1.10 119.36 113.57 2k14 n ILE 28 Ca 0.03 -0.17 -0.17 0.00 -0.27 0.00 0.00 62.75 62.18 2k14 n ILE 28 Cb 0.46 0.67 -0.16 0.00 -1.74 0.00 0.00 39.64 38.86 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 -1.02 0.03 0.29 7.28 2.01 -1.15 -4.89 115.64 118.19 2k14 s THR 29 Ca 0.00 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.91 2k14 s THR 29 Cb 0.00 -0.18 -0.13 0.00 0.01 0.00 0.00 72.50 72.20 2k14 s THR 29 CO 0.00 0.13 1.34 0.00 -0.69 0.00 0.00 174.62 175.41 2k14 n ALA 30 N 4.41 1.21 -3.87 7.40 0.00 -1.26 -1.30 120.51 127.10 2k14 n ALA 30 Ca -0.22 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.28 2k14 n ALA 30 Cb 0.50 -2.26 -0.13 0.00 0.00 0.00 0.00 19.45 17.56 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 -0.59 2.96 0.98 0.00 1.01 -0.00 -3.57 120.40 121.18 2k14 s VAL 31 Ca 0.61 -2.92 -0.14 0.00 0.00 0.00 0.00 61.98 59.53 2k14 s VAL 31 Cb -0.61 -3.02 0.18 0.00 0.00 0.00 0.00 36.38 32.93 2k14 s VAL 31 CO 0.56 -0.78 1.15 -2.16 0.00 0.00 0.00 175.10 173.87 2k14 s PRO 32 N 0.12 0.60 0.56 2.72 0.04 -1.26 -0.74 135.00 137.04 2k14 s PRO 32 Ca 0.15 0.15 0.28 0.00 0.04 0.00 0.00 61.00 61.62 2k14 s PRO 32 Cb -0.23 -1.79 1.48 0.00 0.04 0.00 0.00 34.50 34.00 2k14 s PRO 32 CO -0.03 -2.53 1.96 -0.39 0.04 0.00 0.00 177.00 176.05 2k14 h VAL 33 N -1.74 0.54 -0.05 -0.36 -1.51 -1.84 -2.61 116.25 108.69 2k14 h VAL 33 Ca -0.49 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 64.80 2k14 h VAL 33 Cb 1.31 0.69 -0.36 0.00 -2.13 0.00 0.00 31.29 30.80 2k14 h VAL 33 CO 0.54 0.00 -0.97 -0.67 -1.23 0.00 0.00 177.57 175.24 2k14 n ASP 34 N -4.05 0.84 -0.36 4.19 2.03 -1.26 -4.35 116.55 113.59 2k14 n ASP 34 Ca 0.09 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.40 2k14 n ASP 34 Cb 0.63 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 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 0.30 4.79 3.17 0.27 0.00 -0.98 -5.09 105.19 107.65 2k14 n GLY 35 Ca 0.03 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.34 1.38 0.00 1.61 0.40 -1.26 -4.12 117.98 114.65 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 4.64 3.12 4.36 0.00 -0.32 -4.60 105.19 114.27 2k14 n GLY 37 Ca -0.18 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 0.59 0.06 1.61 2.02 -0.42 -0.77 118.70 125.70 2k14 s GLU 38 Ca 0.00 -0.75 -0.07 0.00 0.02 0.00 0.00 54.97 54.17 2k14 s GLU 38 Cb 0.00 0.23 -0.01 0.00 0.10 0.00 0.00 34.13 34.45 2k14 s GLU 38 CO 0.00 -0.15 0.13 0.54 0.02 0.00 0.00 175.26 175.81 2k14 s VAL 39 N -2.60 0.15 0.04 2.63 0.11 -0.26 -1.01 120.40 119.46 2k14 s VAL 39 Ca -0.05 -1.21 0.05 0.00 -2.93 0.00 0.00 61.98 57.84 2k14 s VAL 39 Cb -0.01 -1.20 -0.02 0.00 -1.53 0.00 0.00 36.38 33.62 2k14 s VAL 39 CO -0.05 -0.67 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.21 2k14 s VAL 40 N -3.38 1.24 0.50 2.04 1.01 -0.42 -0.83 120.40 120.57 2k14 s VAL 40 Ca 0.01 -1.05 -0.21 0.00 0.00 0.00 0.00 61.98 60.73 2k14 s VAL 40 Cb 0.03 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.23 2k14 s VAL 40 CO -0.08 0.04 1.11 -0.63 0.00 0.00 0.00 175.10 175.54 2k14 s ILE 41 N -0.85 3.34 0.00 2.22 -1.09 -1.26 -0.29 121.20 123.27 2k14 s ILE 41 Ca 0.03 0.88 0.22 0.00 -2.23 0.00 0.00 60.65 59.55 2k14 s ILE 41 Cb -0.08 -3.38 0.22 0.00 -1.58 0.00 0.00 42.46 37.64 2k14 s ILE 41 CO 0.01 -0.14 1.65 -0.33 -1.23 0.00 0.00 174.94 174.91 2k14 h GLU 42 N 1.54 0.00 -2.04 2.79 4.39 -1.50 -3.18 114.58 116.58 2k14 h GLU 42 Ca -0.50 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 2k14 h GLU 42 Cb 1.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2k14 h GLU 42 CO 0.58 0.00 -0.01 0.41 -1.16 0.00 0.00 179.01 178.84 2k14 n GLY 43 N -1.26 1.84 0.38 -3.84 0.00 -1.26 -4.75 105.19 96.29 2k14 n GLY 43 Ca -0.01 -0.08 0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 1.46 0.10 0.00 -0.61 -0.00 -1.90 0.60 117.51 117.16 2k14 h ILE 44 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.87 2k14 h ILE 44 Cb 0.68 0.41 0.00 0.00 -0.00 0.00 0.00 36.82 37.91 2k14 h ILE 44 CO 0.03 0.00 0.00 1.23 -0.00 0.00 0.00 178.15 179.41 2k14 h GLY 45 N 0.00 0.00 0.00 0.16 0.00 -1.92 -3.39 103.07 97.92 2k14 h GLY 45 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 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 -0.48 0.93 3.67 4.60 0.00 0.07 -5.14 105.19 108.85 2k14 n GLY 46 Ca 0.00 0.00 -0.29 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 1.90 -0.03 2.61 -4.23 -0.42 -5.09 115.64 110.38 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 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.30 2k14 s THR 47 CO 0.00 0.00 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.33 2k14 s ILE 48 N -3.04 1.04 0.56 2.99 1.01 -1.26 -4.90 121.20 117.59 2k14 s ILE 48 Ca 0.67 -0.51 -0.20 0.00 0.00 0.00 0.00 60.65 60.62 2k14 s ILE 48 Cb -0.16 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.35 2k14 s ILE 48 CO 0.57 0.31 1.19 -0.44 0.00 0.00 0.00 174.94 176.57 2k14 s SER 49 N 0.12 5.49 0.10 3.58 0.01 -1.26 -4.49 113.70 117.24 2k14 s SER 49 Ca -0.03 2.34 -0.05 0.00 1.31 0.00 0.00 55.95 59.52 2k14 s SER 49 Cb -0.10 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 2k14 s SER 49 CO 0.01 -1.39 0.11 -0.54 0.41 0.00 0.00 173.24 171.84 2k14 s LYS 50 N -3.20 0.83 0.60 12.44 -0.14 -0.01 -5.00 119.74 125.27 2k14 s LYS 50 Ca 0.74 -1.17 -0.18 0.00 -1.36 0.00 0.00 55.97 54.00 2k14 s LYS 50 Cb -0.29 0.29 -0.03 0.00 -1.68 0.00 0.00 37.83 36.12 2k14 s LYS 50 CO 0.32 -0.24 1.15 -1.12 -0.76 0.00 0.00 175.35 174.71 2k14 s SER 51 N -2.93 5.27 0.01 2.83 0.01 -1.06 -1.10 113.70 116.73 2k14 s SER 51 Ca 0.11 2.21 -0.04 0.00 1.31 0.00 0.00 55.95 59.54 2k14 s SER 51 Cb 0.06 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 2k14 s SER 51 CO -0.07 -1.53 0.07 0.00 0.41 0.00 0.00 173.24 172.12 2k14 s ALA 52 N -1.88 -0.14 0.10 1.44 0.00 0.05 -0.99 121.76 120.33 2k14 s ALA 52 Ca 0.73 -0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.46 2k14 s ALA 52 Cb -0.25 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 2k14 s ALA 52 CO 0.34 -0.18 -0.15 0.14 0.00 0.00 0.00 175.76 175.91 2k14 s VAL 53 N -1.30 1.32 -0.63 0.00 -7.23 0.07 -1.17 120.40 111.46 2k14 s VAL 53 Ca -0.14 -1.52 -0.25 0.00 -1.81 0.00 0.00 61.98 58.26 2k14 s VAL 53 Cb -0.08 -1.35 0.05 0.00 0.56 0.00 0.00 36.38 35.55 2k14 s VAL 53 CO 0.00 -0.27 1.04 -0.55 -0.31 0.00 0.00 175.10 175.01 2k14 s SER 54 N -2.07 6.26 0.35 4.85 0.15 -1.26 -0.97 113.70 121.01 2k14 s SER 54 Ca 0.04 -0.54 0.09 0.00 0.70 0.00 0.00 55.95 56.25 2k14 s SER 54 Cb -0.08 -2.47 0.65 0.00 -1.71 0.00 0.00 66.02 62.41 2k14 s SER 54 CO 0.03 -1.44 1.82 0.15 1.20 0.00 0.00 173.24 174.99 2k14 h PHE 55 N 9.56 0.21 -0.55 3.44 3.57 -1.45 -3.12 116.94 128.59 2k14 h PHE 55 Ca -0.27 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.19 2k14 h PHE 55 Cb 1.07 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.75 2k14 h PHE 55 CO 0.98 0.46 0.00 -3.47 -2.23 0.00 0.00 178.31 174.06 2k14 n ASP 56 N -4.15 3.41 -3.74 0.41 2.03 -1.26 -4.94 116.55 108.31 2k14 n ASP 56 Ca -0.01 -2.15 -0.25 0.00 0.52 0.00 0.00 54.79 52.90 2k14 n ASP 56 Cb 0.37 -0.44 0.05 0.00 -0.72 0.00 0.00 41.12 40.38 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 1.05 -4.17 -4.55 1.67 4.05 -1.18 -5.02 115.26 107.10 2k14 n ASN 57 Ca 0.20 -0.71 -0.26 0.00 0.45 0.00 0.00 54.58 54.25 2k14 n ASN 57 Cb 0.59 -4.34 -0.09 0.00 1.23 0.00 0.00 39.78 37.17 2k14 n ASN 57 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2k14 s GLN 58 N -6.29 1.99 -0.29 1.20 -1.52 -1.26 -4.75 119.66 108.75 2k14 s GLN 58 Ca 0.44 -1.33 -0.22 0.00 -1.95 0.00 0.00 55.36 52.30 2k14 s GLN 58 Cb -0.21 -2.10 -0.01 0.00 -0.22 0.00 0.00 33.01 30.47 2k14 s GLN 58 CO 0.79 0.42 0.72 -1.14 -0.25 0.00 0.00 175.29 175.83 2k14 s GLN 59 N -2.90 3.99 -0.57 2.91 -0.44 -1.26 -3.14 119.66 118.25 2k14 s GLN 59 Ca 0.25 0.54 -0.01 0.00 -2.50 0.00 0.00 55.36 53.63 2k14 s GLN 59 Cb -0.08 -3.71 0.15 0.00 -1.64 0.00 0.00 33.01 27.73 2k14 s GLN 59 CO 0.15 -0.59 0.36 0.42 0.50 0.00 0.00 175.29 176.13 2k14 s ILE 60 N 2.77 3.40 1.02 -2.34 1.01 0.08 -4.98 121.20 122.15 2k14 s ILE 60 Ca 0.30 -2.90 -0.12 0.00 0.00 0.00 0.00 60.65 57.93 2k14 s ILE 60 Cb -0.15 -3.26 0.20 0.00 0.01 0.00 0.00 42.46 39.26 2k14 s ILE 60 CO 0.11 -0.83 1.08 -0.44 0.00 0.00 0.00 174.94 174.86 2k14 s SER 61 N 0.65 2.29 0.37 3.58 0.01 -1.26 -0.82 113.70 118.51 2k14 s SER 61 Ca 0.16 1.55 -0.26 0.00 1.31 0.00 0.00 55.95 58.71 2k14 s SER 61 Cb -0.22 -2.23 -0.12 0.00 0.21 0.00 0.00 66.02 63.66 2k14 s SER 61 CO -0.03 -3.39 0.95 0.00 0.41 0.00 0.00 173.24 171.18 2k14 n TYR 62 N -4.38 1.02 -2.39 2.43 4.19 -1.26 -4.00 117.16 112.76 2k14 n TYR 62 Ca 0.06 0.62 -0.03 0.00 3.31 0.00 0.00 57.90 61.87 2k14 n TYR 62 Cb 0.55 -2.21 0.00 0.00 0.49 0.00 0.00 39.34 38.17 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 1.27 0.58 3.29 2.98 0.00 -0.26 -5.00 105.19 108.04 2k14 n GLY 63 Ca 0.10 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.66 1.48 -0.18 2.61 -1.32 -1.26 -4.98 115.64 109.33 2k14 s THR 64 Ca 0.04 -1.98 -0.18 0.00 -1.21 0.00 0.00 61.69 58.36 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 0.05 -0.54 0.50 -0.89 -2.21 0.00 0.00 174.62 171.53 2k14 s THR 65 N -2.68 5.13 0.04 5.08 2.01 -1.26 -2.47 115.64 121.49 2k14 s THR 65 Ca 0.16 0.93 0.04 0.00 0.31 0.00 0.00 61.69 63.14 2k14 s THR 65 Cb -0.02 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 2k14 s THR 65 CO 0.04 0.22 -0.13 0.68 -0.69 0.00 0.00 174.62 174.74 2k14 s VAL 66 N 1.36 1.02 -0.18 3.82 -7.23 -0.41 -1.60 120.40 117.17 2k14 s VAL 66 Ca 0.24 -0.96 -0.13 0.00 -1.81 0.00 0.00 61.98 59.32 2k14 s VAL 66 Cb -0.15 -0.93 -0.05 0.00 0.56 0.00 0.00 36.38 35.81 2k14 s VAL 66 CO 0.10 -0.02 0.27 -0.22 -0.31 0.00 0.00 175.10 174.91 2k14 s LEU 67 N -1.12 4.22 -1.33 1.32 2.96 0.05 -0.00 118.68 124.78 2k14 s LEU 67 Ca 0.01 0.44 -0.16 0.00 -0.22 0.00 0.00 54.13 54.20 2k14 s LEU 67 Cb -0.08 -2.33 0.08 0.00 0.50 0.00 0.00 46.19 44.36 2k14 s LEU 67 CO 0.01 0.09 1.84 0.52 -1.32 0.00 0.00 176.35 177.49 2k14 n VAL 68 N 3.70 3.88 0.16 1.68 0.31 -1.04 -2.01 118.33 125.02 2k14 n VAL 68 Ca -0.12 -3.92 0.05 0.00 -0.01 0.00 0.00 64.34 60.34 2k14 n VAL 68 Cb 0.52 -2.43 0.50 0.00 -0.91 0.00 0.00 33.84 31.51 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 4.93 1.09 -3.84 2.52 3.04 -1.43 -3.40 116.25 119.17 2k14 h VAL 69 Ca 0.46 -0.36 -0.10 0.00 -1.01 0.00 0.00 66.70 65.69 2k14 h VAL 69 Cb 0.80 1.01 -0.12 0.00 -2.01 0.00 0.00 31.29 30.96 2k14 h VAL 69 CO 1.55 0.12 -0.29 -1.81 -1.01 0.00 0.00 177.57 176.14 2k14 s ASP 70 N -6.92 0.01 -0.07 3.17 1.01 -1.06 -5.02 116.67 107.79 2k14 s ASP 70 Ca -0.06 -0.85 -0.06 0.00 0.71 0.00 0.00 52.55 52.30 2k14 s ASP 70 Cb 0.16 0.45 0.02 0.00 1.01 0.00 0.00 42.92 44.57 2k14 s ASP 70 CO 0.71 -0.92 0.19 -0.63 0.21 0.00 0.00 175.17 174.73 2k14 s ILE 71 N -3.96 -0.00 -0.40 0.77 1.01 -1.26 -0.17 121.20 117.19 2k14 s ILE 71 Ca 0.17 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.86 2k14 s ILE 71 Cb 0.03 -0.27 0.16 0.00 0.01 0.00 0.00 42.46 42.39 2k14 s ILE 71 CO 0.00 0.00 0.34 0.21 0.00 0.00 0.00 174.94 175.49 2k14 s ASN 72 N 0.17 1.57 -1.36 3.58 2.47 -0.29 -4.96 114.94 116.11 2k14 s ASN 72 Ca -0.01 -2.65 -0.15 0.00 0.42 0.00 0.00 52.86 50.48 2k14 s ASN 72 Cb -0.02 -0.19 0.02 0.00 -1.45 0.00 0.00 41.25 39.61 2k14 s ASN 72 CO -0.00 -0.20 0.40 -3.20 -3.72 0.00 0.00 177.10 170.37 2k14 n ASN 73 N 3.25 -1.73 0.00 -4.21 5.15 -1.26 -1.28 115.26 115.18 2k14 n ASN 73 Ca 0.23 -1.21 0.00 0.00 -0.60 0.00 0.00 54.58 53.00 2k14 n ASN 73 Cb 0.46 -2.08 0.00 0.00 -0.53 0.00 0.00 39.78 37.63 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 -2.21 0.98 3.16 8.20 0.00 -1.26 -5.02 105.19 109.04 2k14 n GLY 74 Ca -0.22 0.00 -0.39 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 -2.23 4.00 0.45 1.61 1.01 -0.40 -2.55 120.40 122.28 2k14 s VAL 75 Ca 0.00 -2.39 -0.22 0.00 0.00 0.00 0.00 61.98 59.37 2k14 s VAL 75 Cb 0.00 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 2k14 s VAL 75 CO 0.00 -0.83 1.06 -0.76 0.00 0.00 0.00 175.10 174.57 2k14 s LEU 76 N 0.61 3.99 -0.21 3.92 1.02 -0.16 -1.14 118.68 126.70 2k14 s LEU 76 Ca 0.12 2.04 -0.05 0.00 0.02 0.00 0.00 54.13 56.26 2k14 s LEU 76 Cb -0.21 -4.36 -0.02 0.00 0.02 0.00 0.00 46.19 41.62 2k14 s LEU 76 CO -0.03 -0.70 0.00 -0.44 0.02 0.00 0.00 176.35 175.20 2k14 s SER 77 N -1.71 4.77 0.14 2.29 0.01 0.77 -0.75 113.70 119.21 2k14 s SER 77 Ca 0.63 -0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.69 2k14 s SER 77 Cb -0.21 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 2k14 s SER 77 CO 0.25 0.04 -0.08 0.68 0.41 0.00 0.00 173.24 174.54 2k14 s VAL 78 N 1.17 0.98 -0.10 3.43 -7.23 -0.14 -1.25 120.40 117.26 2k14 s VAL 78 Ca 0.03 -2.02 -0.09 0.00 -1.81 0.00 0.00 61.98 58.10 2k14 s VAL 78 Cb -0.14 -1.85 0.03 0.00 0.56 0.00 0.00 36.38 34.97 2k14 s VAL 78 CO 0.01 -0.74 0.25 0.28 -0.31 0.00 0.00 175.10 174.59 2k14 s THR 79 N -3.45 -0.00 -0.92 5.32 -1.32 -0.85 -1.12 115.64 113.30 2k14 s THR 79 Ca 0.16 0.01 -0.24 0.00 -1.21 0.00 0.00 61.69 60.41 2k14 s THR 79 Cb 0.04 -0.36 -0.01 0.00 -1.51 0.00 0.00 72.50 70.65 2k14 s THR 79 CO -0.00 0.00 1.78 -2.16 -2.21 0.00 0.00 174.62 172.03 2k14 s PRO 80 N 0.19 2.89 0.33 7.08 0.04 -1.26 -0.77 135.00 143.50 2k14 s PRO 80 Ca -0.00 -0.51 0.01 0.00 0.04 0.00 0.00 61.00 60.54 2k14 s PRO 80 Cb -0.02 -5.11 0.58 0.00 0.04 0.00 0.00 34.50 29.99 2k14 s PRO 80 CO -0.00 -2.97 1.99 1.25 0.04 0.00 0.00 177.00 177.31 2k14 h HIS 81 N 10.96 0.88 -6.90 0.56 2.76 -1.82 -3.48 115.15 118.12 2k14 h HIS 81 Ca 0.11 0.02 -0.53 0.00 -2.20 0.00 0.00 60.37 57.77 2k14 h HIS 81 Cb 1.01 -0.30 -0.11 0.00 1.55 0.00 0.00 27.41 29.57 2k14 h HIS 81 CO 1.23 0.54 -0.85 -1.91 -1.30 0.00 0.00 177.93 175.64 2k14 n GLU 82 N -4.44 -0.67 -1.44 5.26 2.13 -0.63 -4.94 120.64 115.92 2k14 n GLU 82 Ca 0.08 0.03 -0.32 0.00 0.66 0.00 0.00 57.16 57.61 2k14 n GLU 82 Cb 0.07 -2.59 0.08 0.00 0.27 0.00 0.00 31.44 29.26 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 -6.94 2.40 0.00 5.31 0.04 -1.26 -5.05 135.00 129.50 2k14 s PRO 83 Ca 0.18 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2k14 s PRO 83 Cb -0.10 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2k14 s PRO 83 CO 0.85 -1.55 0.04 -0.89 0.04 0.00 0.00 177.00 175.49