#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4n n SER 2 N 0.00 -8.55 -3.67 1.61 2.88 -1.26 -5.08 113.62 99.55 1x4n n SER 2 Ca 0.00 1.27 -0.11 0.00 -1.33 0.00 0.00 58.87 58.69 1x4n n SER 2 Cb 0.00 -4.72 -0.05 0.00 -0.75 0.00 0.00 64.21 58.69 1x4n n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4n s SER 3 N -0.85 -0.22 0.01 -3.46 0.15 -1.26 -5.17 113.70 102.90 1x4n s SER 3 Ca 0.00 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.42 1x4n s SER 3 Cb 0.00 0.44 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1x4n s SER 3 CO 0.00 -0.77 -0.03 -0.83 1.20 0.00 0.00 173.24 172.81 1x4n s GLY 4 N -2.52 0.17 -0.54 9.45 0.00 -1.26 -5.11 107.32 107.51 1x4n s GLY 4 Ca 0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 44.72 44.32 1x4n s GLY 4 CO -0.08 -0.25 0.49 -1.35 0.00 0.00 0.00 173.10 171.91 1x4n s SER 5 N -0.44 6.17 -0.04 1.64 1.04 -1.26 -5.01 113.70 115.81 1x4n s SER 5 Ca -0.03 -1.77 -0.28 0.00 0.48 0.00 0.00 55.95 54.34 1x4n s SER 5 Cb -0.03 -2.20 0.06 0.00 0.10 0.00 0.00 66.02 63.95 1x4n s SER 5 CO -0.00 -0.85 0.63 -0.44 0.98 0.00 0.00 173.24 173.56 1x4n s SER 6 N 3.53 -0.59 0.00 7.02 0.01 -1.26 -5.17 113.70 117.23 1x4n s SER 6 Ca 0.03 0.60 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1x4n s SER 6 Cb -0.30 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1x4n s SER 6 CO 0.03 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.69 1x4n n GLY 7 N 0.90 2.56 3.42 3.44 0.00 -1.26 -5.13 105.19 109.12 1x4n n GLY 7 Ca -0.19 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 1x4n n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x4n s HIS 8 N -2.00 3.02 -0.11 1.61 0.00 -1.26 -4.98 115.29 111.56 1x4n s HIS 8 Ca 0.00 -0.53 -0.13 0.00 -3.00 0.00 0.00 55.06 51.40 1x4n s HIS 8 Cb 0.00 -2.07 -0.05 0.00 -4.00 0.00 0.00 32.58 26.46 1x4n s HIS 8 CO 0.00 -0.28 -0.26 1.04 -1.00 0.00 0.00 174.74 174.24 1x4n n GLN 9 N 4.28 0.39 -2.35 -0.38 6.02 -1.26 -5.11 117.38 118.97 1x4n n GLN 9 Ca -0.17 0.16 -0.03 0.00 -0.01 0.00 0.00 57.00 56.94 1x4n n GLN 9 Cb 0.52 -1.18 -0.03 0.00 1.02 0.00 0.00 30.24 30.57 1x4n n GLN 9 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1x4n n GLN 10 N -4.17 -4.24 -3.76 -1.09 6.02 -1.26 -5.09 117.38 103.79 1x4n n GLN 10 Ca -0.13 3.21 -0.01 0.00 -0.01 0.00 0.00 57.00 60.06 1x4n n GLN 10 Cb 0.42 -4.44 -0.00 0.00 1.02 0.00 0.00 30.24 27.24 1x4n n GLN 10 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1x4n s GLN 11 N -0.75 0.81 0.27 -1.09 -0.21 -1.26 -5.14 119.66 112.30 1x4n s GLN 11 Ca -0.16 -0.48 0.00 0.00 0.02 0.00 0.00 55.36 54.74 1x4n s GLN 11 Cb 0.01 0.26 0.00 0.00 1.00 0.00 0.00 33.01 34.28 1x4n s GLN 11 CO 0.44 -0.38 0.00 0.54 -2.12 0.00 0.00 175.29 173.78 1x4n n ARG 12 N -0.58 -5.20 -1.55 2.91 1.74 -1.26 -4.99 116.66 107.73 1x4n n ARG 12 Ca -0.05 3.72 -0.30 0.00 -0.77 0.00 0.00 57.85 60.45 1x4n n ARG 12 Cb 0.61 -4.02 0.22 0.00 -1.02 0.00 0.00 32.46 28.24 1x4n n ARG 12 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1x4n s SER 13 N -1.08 2.03 0.16 0.55 0.01 -1.26 -4.91 113.70 109.20 1x4n s SER 13 Ca 0.00 0.39 -0.07 0.00 1.31 0.00 0.00 55.95 57.58 1x4n s SER 13 Cb 0.00 -0.49 -0.06 0.00 0.21 0.00 0.00 66.02 65.68 1x4n s SER 13 CO 0.00 -3.42 0.43 -0.69 0.41 0.00 0.00 173.24 169.98 1x4n s VAL 14 N -3.51 5.08 0.12 3.43 1.01 -1.26 -4.45 120.40 120.82 1x4n s VAL 14 Ca 0.73 0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.91 1x4n s VAL 14 Cb -0.06 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1x4n s VAL 14 CO 0.54 0.05 0.11 0.00 0.00 0.00 0.00 175.10 175.80 1x4n s MET 15 N -2.58 0.92 -0.10 2.72 0.23 -0.41 -4.92 119.30 115.16 1x4n s MET 15 Ca 0.42 -1.28 0.04 0.00 -1.03 0.00 0.00 55.69 53.84 1x4n s MET 15 Cb -0.12 0.28 -0.00 0.00 -1.53 0.00 0.00 34.83 33.46 1x4n s MET 15 CO 0.23 -0.28 -0.24 0.99 -2.03 0.00 0.00 175.02 173.69 1x4n s THR 16 N -3.99 2.08 0.44 3.16 2.01 -1.26 -2.76 115.64 115.33 1x4n s THR 16 Ca 0.17 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 61.19 1x4n s THR 16 Cb 0.06 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1x4n s THR 16 CO -0.02 0.56 0.02 -1.61 -0.69 0.00 0.00 174.62 172.88 1x4n s GLU 17 N 0.30 2.02 -0.26 4.92 0.41 -1.15 -5.00 118.70 119.95 1x4n s GLU 17 Ca -0.18 -2.22 -0.00 0.00 -0.41 0.00 0.00 54.97 52.16 1x4n s GLU 17 Cb -0.18 -1.40 0.08 0.00 -1.78 0.00 0.00 34.13 30.85 1x4n s GLU 17 CO 0.09 -0.24 0.03 -2.00 -0.49 0.00 0.00 175.26 172.64 1x4n s GLU 18 N -3.80 1.07 -0.21 1.61 2.12 -1.26 -3.31 118.70 114.91 1x4n s GLU 18 Ca 0.21 -0.95 -0.03 0.00 0.36 0.00 0.00 54.97 54.56 1x4n s GLU 18 Cb 0.05 -2.33 -0.00 0.00 0.26 0.00 0.00 34.13 32.11 1x4n s GLU 18 CO 0.11 -0.77 -0.07 -0.47 -0.54 0.00 0.00 175.26 173.53 1x4n s TYR 19 N 1.54 2.93 -0.13 5.30 5.04 -1.16 -4.97 117.35 125.90 1x4n s TYR 19 Ca 0.02 -1.06 -0.16 0.00 -2.44 0.00 0.00 57.07 53.43 1x4n s TYR 19 Cb -0.18 -2.07 -0.04 0.00 0.35 0.00 0.00 41.96 40.01 1x4n s TYR 19 CO -0.13 -0.59 0.39 0.15 -1.34 0.00 0.00 175.55 174.03 1x4n s LYS 20 N 1.45 4.28 0.24 4.97 1.02 -1.26 -0.56 119.74 129.87 1x4n s LYS 20 Ca 0.06 0.29 0.10 0.00 0.02 0.00 0.00 55.97 56.44 1x4n s LYS 20 Cb -0.14 -3.42 -0.05 0.00 -0.52 0.00 0.00 37.83 33.70 1x4n s LYS 20 CO -0.05 0.23 -0.19 0.14 -0.92 0.00 0.00 175.35 174.56 1x4n s VAL 21 N 0.45 2.20 -0.30 3.17 -7.23 -0.06 -4.88 120.40 113.75 1x4n s VAL 21 Ca 0.22 -2.28 -0.29 0.00 -1.81 0.00 0.00 61.98 57.82 1x4n s VAL 21 Cb -0.14 -2.17 -0.00 0.00 0.56 0.00 0.00 36.38 34.63 1x4n s VAL 21 CO 0.08 -0.42 1.35 -2.16 -0.31 0.00 0.00 175.10 173.63 1x4n s PRO 22 N -3.41 3.88 0.65 4.82 0.04 -1.26 0.19 135.00 139.90 1x4n s PRO 22 Ca 0.26 1.28 0.28 0.00 0.04 0.00 0.00 61.00 62.85 1x4n s PRO 22 Cb -0.04 -3.91 1.49 0.00 0.04 0.00 0.00 34.50 32.08 1x4n s PRO 22 CO 0.11 -1.17 1.86 0.38 0.04 0.00 0.00 177.00 178.22 1x4n h ASP 23 N 9.55 0.00 0.00 6.66 3.04 -1.85 1.54 116.42 135.37 1x4n h ASP 23 Ca -0.27 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 1x4n h ASP 23 Cb 1.10 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.39 1x4n h ASP 23 CO 1.03 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 178.84 1x4n n GLY 24 N -1.32 -0.94 0.58 7.15 0.00 -1.26 -3.69 105.19 105.71 1x4n n GLY 24 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1x4n n GLY 24 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x4n n MET 25 N -0.79 0.00 -0.29 1.61 2.81 0.50 -4.84 117.12 116.11 1x4n n MET 25 Ca 0.13 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.08 1x4n n MET 25 Cb 0.06 -0.47 0.15 0.00 -0.71 0.00 0.00 33.22 32.25 1x4n n MET 25 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 1x4n h VAL 26 N 0.00 0.18 -1.28 2.03 3.04 -0.84 1.69 116.25 121.07 1x4n h VAL 26 Ca 0.00 -0.01 0.37 0.00 -1.01 0.00 0.00 66.70 66.05 1x4n h VAL 26 Cb 0.27 0.15 -0.06 0.00 -2.01 0.00 0.00 31.29 29.64 1x4n h VAL 26 CO 0.00 0.00 0.91 1.23 -1.01 0.00 0.00 177.57 178.70 1x4n h GLY 27 N 0.03 0.17 0.58 3.17 0.00 -1.82 0.96 103.07 106.17 1x4n h GLY 27 Ca 0.44 -0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.59 1x4n h GLY 27 CO -0.83 -0.03 -1.68 0.33 0.00 0.00 0.00 176.54 174.34 1x4n n PHE 28 N -4.21 0.58 -0.19 5.60 7.35 0.55 -4.10 117.46 123.03 1x4n n PHE 28 Ca 0.28 0.19 -0.03 0.00 -0.76 0.00 0.00 57.45 57.13 1x4n n PHE 28 Cb 1.32 -0.93 0.16 0.00 0.35 0.00 0.00 39.48 40.38 1x4n n PHE 28 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1x4n h ILE 29 N 0.00 1.23 0.63 -2.13 2.04 0.38 -3.05 117.51 116.61 1x4n h ILE 29 Ca -0.18 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 1x4n h ILE 29 Cb 1.51 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1x4n h ILE 29 CO 0.03 0.30 -0.38 0.40 0.00 0.00 0.00 178.15 178.50 1x4n h ILE 30 N 0.94 0.00 0.00 -0.67 5.03 -1.32 -2.16 117.51 119.33 1x4n h ILE 30 Ca 0.22 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.96 1x4n h ILE 30 Cb 0.21 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.00 1x4n h ILE 30 CO -0.02 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.06 1x4n n GLY 31 N -1.48 -0.09 3.59 5.37 0.00 -1.16 -1.11 105.19 110.31 1x4n n GLY 31 Ca -0.11 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 1x4n n GLY 31 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x4n s ARG 32 N -1.26 2.98 0.00 1.61 3.00 -1.26 -0.88 118.95 123.14 1x4n s ARG 32 Ca 0.00 1.66 0.00 0.00 -1.00 0.00 0.00 55.73 56.39 1x4n s ARG 32 Cb 0.00 -4.36 0.00 0.00 0.00 0.00 0.00 34.95 30.59 1x4n s ARG 32 CO 0.00 -2.28 0.00 0.41 0.00 0.00 0.00 175.30 173.43 1x4n n GLY 33 N 5.71 0.78 1.25 8.12 0.00 -1.26 -2.86 105.19 116.93 1x4n n GLY 33 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1x4n n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4n n GLY 34 N -2.03 0.91 0.08 -0.02 0.00 -0.06 -4.98 105.19 99.08 1x4n n GLY 34 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1x4n n GLY 34 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1x4n h GLU 35 N 0.00 0.06 -0.93 1.61 4.81 -1.35 -2.52 114.58 116.25 1x4n h GLU 35 Ca 0.00 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1x4n h GLU 35 Cb 0.69 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.06 1x4n h GLU 35 CO 0.00 0.89 0.57 0.37 -0.73 0.00 0.00 179.01 180.11 1x4n h GLN 36 N 0.02 1.26 0.03 1.92 5.75 -1.32 -2.17 115.11 120.60 1x4n h GLN 36 Ca -0.14 -0.11 -0.09 0.00 -0.15 0.00 0.00 58.65 58.16 1x4n h GLN 36 Cb 1.89 -0.27 0.01 0.00 1.07 0.00 0.00 27.48 30.19 1x4n h GLN 36 CO 0.12 0.87 -0.38 0.97 -2.65 0.00 0.00 178.83 177.76 1x4n h ILE 37 N 1.28 1.57 -0.97 2.39 6.09 -0.54 -3.22 117.51 124.12 1x4n h ILE 37 Ca 0.34 -2.18 0.31 0.00 -1.37 0.00 0.00 64.86 61.96 1x4n h ILE 37 Cb -0.07 2.96 -0.17 0.00 0.47 0.00 0.00 36.82 40.01 1x4n h ILE 37 CO -0.06 0.60 0.28 -1.28 -3.07 0.00 0.00 178.15 174.61 1x4n h SER 38 N -0.51 -0.03 -0.64 2.19 0.87 -1.23 1.51 113.55 115.70 1x4n h SER 38 Ca -0.06 0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1x4n h SER 38 Cb 1.20 0.33 -0.03 0.00 -0.44 0.00 0.00 62.40 63.46 1x4n h SER 38 CO 0.07 -0.31 0.26 -0.09 -0.53 0.00 0.00 176.83 176.24 1x4n h ARG 39 N 0.09 0.96 -0.68 2.24 9.65 -1.45 0.39 114.38 125.58 1x4n h ARG 39 Ca 0.67 -0.17 -0.07 0.00 -1.10 0.00 0.00 59.98 59.31 1x4n h ARG 39 Cb 1.53 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.93 1x4n h ARG 39 CO -0.78 0.80 0.15 0.82 2.80 0.00 0.00 179.97 183.77 1x4n h ILE 40 N 0.90 1.26 -0.25 1.20 2.04 0.18 1.27 117.51 124.12 1x4n h ILE 40 Ca 0.22 -0.98 -0.13 0.00 1.00 0.00 0.00 64.86 64.97 1x4n h ILE 40 Cb 0.20 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1x4n h ILE 40 CO -0.02 0.37 -0.38 1.56 0.00 0.00 0.00 178.15 179.69 1x4n h GLN 41 N 1.03 0.56 0.07 2.37 4.20 0.24 -0.17 115.11 123.41 1x4n h GLN 41 Ca 0.21 -0.27 -0.25 0.00 0.06 0.00 0.00 58.65 58.40 1x4n h GLN 41 Cb 0.39 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1x4n h GLN 41 CO 0.01 0.85 -1.10 1.96 -0.67 0.00 0.00 178.83 179.87 1x4n h GLN 42 N 0.47 0.24 -0.19 1.46 1.08 0.20 1.36 115.11 119.73 1x4n h GLN 42 Ca 0.04 -0.36 -0.05 0.00 -1.45 0.00 0.00 58.65 56.84 1x4n h GLN 42 Cb 0.87 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 1x4n h GLN 42 CO 0.07 1.13 -0.07 0.93 -0.95 0.00 0.00 178.83 179.94 1x4n h GLU 43 N 0.09 0.39 0.00 1.46 4.39 0.18 -3.14 114.58 117.95 1x4n h GLU 43 Ca -0.09 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1x4n h GLU 43 Cb 1.81 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.44 1x4n h GLU 43 CO 0.18 0.67 -0.94 -1.13 -1.16 0.00 0.00 179.01 176.63 1x4n n SER 44 N -4.60 0.67 -2.81 1.42 3.41 -0.09 -4.96 113.62 106.66 1x4n n SER 44 Ca -0.05 0.04 -0.20 0.00 -0.26 0.00 0.00 58.87 58.40 1x4n n SER 44 Cb 0.30 0.56 0.04 0.00 -0.26 0.00 0.00 64.21 64.85 1x4n n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4n n GLY 45 N 1.31 -0.36 3.38 5.00 0.00 0.45 -4.56 105.19 110.42 1x4n n GLY 45 Ca 0.02 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1x4n n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4n s LYS 47 N -3.28 4.14 -0.29 0.00 2.20 -0.78 -4.44 119.74 117.29 1x4n s LYS 47 Ca 0.22 0.68 -0.02 0.00 -0.36 0.00 0.00 55.97 56.50 1x4n s LYS 47 Cb -0.04 -3.11 0.09 0.00 -1.51 0.00 0.00 37.83 33.27 1x4n s LYS 47 CO 0.09 0.57 0.09 0.42 -0.36 0.00 0.00 175.35 176.16 1x4n s ILE 48 N -1.26 0.68 -0.56 5.43 1.01 -1.26 -2.51 121.20 122.73 1x4n s ILE 48 Ca 0.33 -1.19 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 1x4n s ILE 48 Cb -0.18 -1.48 0.12 0.00 0.01 0.00 0.00 42.46 40.93 1x4n s ILE 48 CO 0.19 -0.62 0.59 -1.10 0.00 0.00 0.00 174.94 174.01 1x4n s GLN 49 N 1.73 3.02 -0.21 2.79 -0.21 0.99 -4.94 119.66 122.82 1x4n s GLN 49 Ca 0.08 -1.53 -0.12 0.00 0.02 0.00 0.00 55.36 53.81 1x4n s GLN 49 Cb -0.17 -4.29 -0.05 0.00 1.00 0.00 0.00 33.01 29.51 1x4n s GLN 49 CO -0.25 -1.43 0.20 0.42 -2.12 0.00 0.00 175.29 172.12 1x4n s ILE 50 N 2.10 5.35 0.70 1.08 1.01 -1.26 -0.83 121.20 129.34 1x4n s ILE 50 Ca 0.07 0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.88 1x4n s ILE 50 Cb -0.27 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.68 1x4n s ILE 50 CO 0.04 0.37 1.16 0.00 0.00 0.00 0.00 174.94 176.51 1x4n s ALA 51 N 0.78 2.27 -0.16 9.38 0.00 -1.24 -4.92 121.76 127.87 1x4n s ALA 51 Ca 0.11 0.72 0.28 0.00 0.00 0.00 0.00 51.96 53.07 1x4n s ALA 51 Cb -0.13 -3.40 0.85 0.00 0.00 0.00 0.00 23.12 20.44 1x4n s ALA 51 CO 0.03 -1.61 1.79 -1.00 0.00 0.00 0.00 175.76 174.97 1x4n h PRO 52 N -0.16 0.00 -2.96 0.00 0.13 -1.97 -3.44 132.00 123.60 1x4n h PRO 52 Ca -0.47 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 1x4n h PRO 52 Cb 1.27 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.12 1x4n h PRO 52 CO 0.52 0.02 -0.42 -0.51 -0.23 0.00 0.00 178.00 177.37 1x4n s ASP 53 N -5.97 -0.32 -0.16 1.44 1.11 -1.26 -5.02 116.67 106.50 1x4n s ASP 53 Ca 0.04 0.61 0.12 0.00 0.18 0.00 0.00 52.55 53.49 1x4n s ASP 53 Cb 0.07 0.53 0.62 0.00 1.07 0.00 0.00 42.92 45.21 1x4n s ASP 53 CO 0.61 -0.15 1.46 -1.54 1.18 0.00 0.00 175.17 176.73 1x4n n SER 54 N 3.83 4.46 -0.03 0.27 3.41 -1.26 -4.86 113.62 119.44 1x4n n SER 54 Ca -0.21 -2.62 -0.00 0.00 -0.26 0.00 0.00 58.87 55.77 1x4n n SER 54 Cb 0.55 -0.61 -0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1x4n n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4n n GLY 55 N 0.61 0.31 1.27 5.00 0.00 -1.26 -1.83 105.19 109.29 1x4n n GLY 55 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1x4n n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4n n GLY 56 N -1.22 0.65 3.80 -0.02 0.00 -1.26 -5.05 105.19 102.09 1x4n n GLY 56 Ca -0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 1x4n n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x4n s LEU 57 N 0.00 2.81 0.05 0.99 2.01 -0.76 -4.93 118.68 118.85 1x4n s LEU 57 Ca 0.00 1.49 0.22 0.00 0.01 0.00 0.00 54.13 55.85 1x4n s LEU 57 Cb 0.00 -4.19 0.93 0.00 0.01 0.00 0.00 46.19 42.93 1x4n s LEU 57 CO 0.00 -1.84 1.71 -0.81 1.01 0.00 0.00 176.35 176.42 1x4n n PRO 58 N -3.37 0.05 -4.13 1.29 -0.04 -1.26 -4.70 135.00 122.84 1x4n n PRO 58 Ca 0.07 0.16 -0.16 0.00 -0.04 0.00 0.00 63.50 63.54 1x4n n PRO 58 Cb 0.55 -1.57 -0.15 0.00 -0.04 0.00 0.00 33.50 32.29 1x4n n PRO 58 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1x4n s GLU 59 N -3.04 0.42 -0.22 0.54 8.01 -1.26 -3.18 118.70 119.96 1x4n s GLU 59 Ca 0.10 -0.15 -0.08 0.00 0.01 0.00 0.00 54.97 54.85 1x4n s GLU 59 Cb 0.14 -0.42 -0.04 0.00 -4.31 0.00 0.00 34.13 29.50 1x4n s GLU 59 CO 0.42 0.08 0.09 0.50 0.01 0.00 0.00 175.26 176.35 1x4n s ARG 60 N 0.03 3.84 0.27 1.61 3.52 0.49 -4.81 118.95 123.89 1x4n s ARG 60 Ca 0.00 -0.40 -0.29 0.00 -0.13 0.00 0.00 55.73 54.91 1x4n s ARG 60 Cb -0.03 -3.33 -0.09 0.00 -1.56 0.00 0.00 34.95 29.93 1x4n s ARG 60 CO -0.00 0.01 1.16 0.45 -0.81 0.00 0.00 175.30 176.11 1x4n s SER 61 N 1.09 7.13 -0.24 -2.12 0.15 -1.26 -0.88 113.70 117.57 1x4n s SER 61 Ca 0.05 2.34 -0.01 0.00 0.70 0.00 0.00 55.95 59.03 1x4n s SER 61 Cb -0.14 -2.63 0.07 0.00 -1.71 0.00 0.00 66.02 61.61 1x4n s SER 61 CO 0.04 -0.27 0.03 0.00 1.20 0.00 0.00 173.24 174.23 1x4n s MET 63 N 1.62 4.19 0.07 0.00 -1.94 -0.01 -2.98 119.30 120.24 1x4n s MET 63 Ca 0.01 1.60 0.01 0.00 -1.71 0.00 0.00 55.69 55.60 1x4n s MET 63 Cb -0.18 -3.78 -0.04 0.00 2.01 0.00 0.00 34.83 32.84 1x4n s MET 63 CO -0.12 -0.77 0.16 -0.51 -0.01 0.00 0.00 175.02 173.77 1x4n s LEU 64 N 3.63 4.15 -0.08 -0.03 1.02 -1.21 -0.01 118.68 126.15 1x4n s LEU 64 Ca 0.55 0.17 -0.04 0.00 0.02 0.00 0.00 54.13 54.83 1x4n s LEU 64 Cb -0.21 -2.78 0.04 0.00 0.02 0.00 0.00 46.19 43.26 1x4n s LEU 64 CO 0.16 0.17 0.18 -0.89 0.02 0.00 0.00 176.35 175.98 1x4n s THR 65 N -1.46 -0.06 -5.00 5.49 2.01 -1.04 -2.93 115.64 112.64 1x4n s THR 65 Ca 0.33 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.51 1x4n s THR 65 Cb -0.13 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.10 1x4n s THR 65 CO 0.26 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1x4n n GLY 66 N 4.29 0.42 3.85 4.40 0.00 -1.11 -1.87 105.19 115.17 1x4n n GLY 66 Ca -0.25 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 1x4n n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x4n s THR 67 N -3.79 3.41 -0.06 2.61 -4.23 -1.26 -1.28 115.64 111.04 1x4n s THR 67 Ca 0.00 0.46 0.23 0.00 -1.18 0.00 0.00 61.69 61.20 1x4n s THR 67 Cb 0.00 -3.33 0.25 0.00 1.34 0.00 0.00 72.50 70.75 1x4n s THR 67 CO 0.00 -0.60 1.72 1.55 -0.54 0.00 0.00 174.62 176.75 1x4n h PRO 68 N -0.82 0.00 0.00 3.99 0.13 -1.96 -1.11 132.00 132.23 1x4n h PRO 68 Ca -0.46 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 1x4n h PRO 68 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1x4n h PRO 68 CO 0.61 0.20 -0.95 1.49 -0.23 0.00 0.00 178.00 179.12 1x4n h GLU 69 N 0.00 0.01 0.19 0.86 4.81 -1.98 -2.86 114.58 115.61 1x4n h GLU 69 Ca -0.00 -0.02 -0.33 0.00 -0.13 0.00 0.00 59.36 58.88 1x4n h GLU 69 Cb 0.90 0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.31 1x4n h GLU 69 CO 0.03 0.95 -1.58 0.77 -0.73 0.00 0.00 179.01 178.45 1x4n h SER 70 N 0.01 0.63 -0.57 1.04 0.02 -1.77 -2.63 113.55 110.28 1x4n h SER 70 Ca -0.01 -0.80 0.03 0.00 -0.84 0.00 0.00 61.79 60.16 1x4n h SER 70 Cb 1.67 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.96 1x4n h SER 70 CO 0.13 1.66 0.34 0.58 -1.14 0.00 0.00 176.83 178.39 1x4n h VAL 71 N 0.11 1.04 0.29 2.27 2.07 -1.27 0.19 116.25 120.95 1x4n h VAL 71 Ca -0.28 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1x4n h VAL 71 Cb 2.10 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1x4n h VAL 71 CO 0.21 0.12 -0.14 -0.61 0.02 0.00 0.00 177.57 177.17 1x4n h GLN 72 N 0.66 -0.37 -0.30 1.57 4.15 -1.61 -1.08 115.11 118.13 1x4n h GLN 72 Ca 0.24 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.75 1x4n h GLN 72 Cb 0.05 0.08 -0.08 0.00 0.21 0.00 0.00 27.48 27.74 1x4n h GLN 72 CO -0.11 -0.05 -0.37 0.77 -1.93 0.00 0.00 178.83 177.13 1x4n h SER 73 N -0.73 -1.20 -0.19 -0.69 0.02 -1.24 0.30 113.55 109.82 1x4n h SER 73 Ca -0.04 0.19 0.05 0.00 -0.84 0.00 0.00 61.79 61.15 1x4n h SER 73 Cb 0.49 0.53 -0.06 0.00 0.14 0.00 0.00 62.40 63.50 1x4n h SER 73 CO 0.06 -0.36 -0.20 0.00 -1.14 0.00 0.00 176.83 175.19 1x4n h ALA 74 N 0.49 -0.10 -0.64 3.77 0.00 -0.66 -1.54 119.26 120.58 1x4n h ALA 74 Ca 0.13 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.21 1x4n h ALA 74 Cb 0.57 0.41 -0.12 0.00 0.00 0.00 0.00 17.79 18.65 1x4n h ALA 74 CO -0.49 -0.64 -0.37 0.87 0.00 0.00 0.00 179.25 178.62 1x4n h LYS 75 N -0.22 -0.15 -0.61 0.00 1.57 0.17 0.33 116.57 117.66 1x4n h LYS 75 Ca 0.12 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.03 1x4n h LYS 75 Cb 0.40 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.63 1x4n h LYS 75 CO -0.32 -0.10 -0.15 0.00 -0.57 0.00 0.00 179.45 178.31 1x4n h ARG 76 N -0.16 0.00 -0.44 3.15 2.47 -0.03 0.45 114.38 119.83 1x4n h ARG 76 Ca 0.23 -0.00 0.05 0.00 -1.26 0.00 0.00 59.98 59.00 1x4n h ARG 76 Cb 0.56 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.83 1x4n h ARG 76 CO -0.72 0.00 0.17 -0.07 0.56 0.00 0.00 179.97 179.91 1x4n h LEU 77 N 0.00 0.21 0.09 3.04 3.38 0.22 0.22 115.31 122.47 1x4n h LEU 77 Ca 0.29 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 1x4n h LEU 77 Cb 0.44 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1x4n h LEU 77 CO -0.62 0.15 -0.05 -0.07 0.09 0.00 0.00 178.44 177.94 1x4n h LEU 78 N 0.35 -0.13 -0.98 1.67 3.38 0.21 -2.38 115.31 117.43 1x4n h LEU 78 Ca 0.20 0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.42 1x4n h LEU 78 Cb 0.17 0.04 -0.18 0.00 0.09 0.00 0.00 40.66 40.78 1x4n h LEU 78 CO -0.19 -0.08 -0.05 -0.78 0.09 0.00 0.00 178.44 177.42 1x4n h ASP 79 N -0.14 -0.60 -0.21 -0.43 1.82 -0.18 0.62 116.42 117.30 1x4n h ASP 79 Ca -0.01 0.28 0.02 0.00 -0.39 0.00 0.00 57.03 56.93 1x4n h ASP 79 Cb 0.11 0.52 -0.03 0.00 0.68 0.00 0.00 39.33 40.60 1x4n h ASP 79 CO 0.02 -0.34 -0.20 1.56 -1.61 0.00 0.00 179.24 178.66 1x4n h GLN 80 N 0.01 -0.09 -0.86 0.28 1.08 -0.30 0.46 115.11 115.69 1x4n h GLN 80 Ca 0.56 0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.88 1x4n h GLN 80 Cb 1.07 0.02 -0.13 0.00 -0.05 0.00 0.00 27.48 28.39 1x4n h GLN 80 CO -0.94 -0.06 -0.46 0.82 -0.95 0.00 0.00 178.83 177.23 1x4n h ILE 81 N -0.10 0.03 -0.32 2.54 2.04 -0.37 1.45 117.51 122.78 1x4n h ILE 81 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.96 1x4n h ILE 81 Cb 0.19 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 36.22 1x4n h ILE 81 CO -0.25 0.00 -0.39 0.58 0.00 0.00 0.00 178.15 178.09 1x4n h VAL 82 N -0.08 0.17 0.46 1.67 2.07 -0.71 0.81 116.25 120.64 1x4n h VAL 82 Ca 0.24 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 1x4n h VAL 82 Cb 0.53 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1x4n h VAL 82 CO -0.87 0.00 -0.36 -0.08 0.02 0.00 0.00 177.57 176.28 1x4n h GLU 83 N -0.35 -0.78 -0.51 1.57 4.81 0.36 1.27 114.58 120.95 1x4n h GLU 83 Ca 0.13 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.51 1x4n h GLU 83 Cb 0.58 0.18 -0.10 0.00 0.63 0.00 0.00 28.75 30.03 1x4n h GLU 83 CO -0.51 -0.52 -0.32 0.87 -0.73 0.00 0.00 179.01 177.80 1x4n h LYS 84 N -0.81 -0.18 0.00 1.92 1.57 0.25 -3.23 116.57 116.08 1x4n h LYS 84 Ca -0.05 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1x4n h LYS 84 Cb 0.69 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1x4n h LYS 84 CO -0.00 -0.12 0.00 0.41 -0.57 0.00 0.00 179.45 179.17 1x4n n GLY 85 N -1.43 -0.89 3.47 3.86 0.00 0.27 -4.95 105.19 105.53 1x4n n GLY 85 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1x4n n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4n n ARG 86 N -0.64 -1.76 -2.65 1.61 5.12 0.43 -4.75 116.66 114.02 1x4n n ARG 86 Ca 0.00 1.22 -0.42 0.00 -1.93 0.00 0.00 57.85 56.71 1x4n n ARG 86 Cb 0.00 -1.94 -0.01 0.00 -1.16 0.00 0.00 32.46 29.35 1x4n n ARG 86 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1x4n s SER 87 N -1.71 6.73 0.30 0.55 0.01 -1.26 -4.91 113.70 113.40 1x4n s SER 87 Ca 0.29 -2.12 0.04 0.00 1.31 0.00 0.00 55.95 55.47 1x4n s SER 87 Cb -0.03 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1x4n s SER 87 CO 0.84 -1.23 0.26 -0.83 0.41 0.00 0.00 173.24 172.70 1x4n s GLY 88 N 4.28 1.98 1.02 3.44 0.00 -1.26 -5.17 107.32 111.60 1x4n s GLY 88 Ca 0.48 -1.90 -0.16 0.00 0.00 0.00 0.00 44.72 43.15 1x4n s GLY 88 CO -0.01 -1.39 1.19 2.56 0.00 0.00 0.00 173.10 175.45 1x4n s PRO 89 N -3.60 0.26 0.39 2.90 0.04 -1.26 -5.09 135.00 128.63 1x4n s PRO 89 Ca 0.39 -0.04 0.08 0.00 0.04 0.00 0.00 61.00 61.46 1x4n s PRO 89 Cb 0.03 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.75 1x4n s PRO 89 CO 0.22 -2.73 0.13 0.45 0.04 0.00 0.00 177.00 175.11 1x4n s SER 90 N -4.27 4.39 -0.22 6.66 0.15 -1.26 -5.14 113.70 114.01 1x4n s SER 90 Ca 0.69 -1.02 -0.12 0.00 0.70 0.00 0.00 55.95 56.20 1x4n s SER 90 Cb -0.10 -0.53 0.07 0.00 -1.71 0.00 0.00 66.02 63.75 1x4n s SER 90 CO 0.54 -0.43 0.53 -0.94 1.20 0.00 0.00 173.24 174.14 1x4n s SER 91 N -3.85 -0.70 0.00 5.45 1.04 -1.26 -5.35 113.70 109.03 1x4n s SER 91 Ca 0.39 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.98 1x4n s SER 91 Cb 0.02 1.04 0.00 0.00 0.10 0.00 0.00 66.02 67.18 1x4n s SER 91 CO 0.22 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.83