#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5f s SER 2 N 0.00 5.46 -0.03 1.61 0.15 -1.26 -5.12 113.70 114.51 1x5f s SER 2 Ca 0.00 0.40 -0.09 0.00 0.70 0.00 0.00 55.95 56.96 1x5f s SER 2 Cb 0.00 -1.38 0.01 0.00 -1.71 0.00 0.00 66.02 62.94 1x5f s SER 2 CO 0.00 -1.07 0.20 -0.44 1.20 0.00 0.00 173.24 173.13 1x5f s SER 3 N -4.34 -0.11 -0.03 5.45 0.01 -1.26 -5.07 113.70 108.35 1x5f s SER 3 Ca 0.54 0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.86 1x5f s SER 3 Cb -0.10 0.31 -0.02 0.00 0.21 0.00 0.00 66.02 66.42 1x5f s SER 3 CO 0.42 -0.27 -0.05 0.61 0.41 0.00 0.00 173.24 174.35 1x5f n GLY 4 N 1.98 -0.06 2.60 3.44 0.00 -1.26 -5.05 105.19 106.84 1x5f n GLY 4 Ca -0.19 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 1x5f n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5f n SER 5 N -3.21 -3.72 0.12 1.61 2.88 -1.26 -4.95 113.62 105.09 1x5f n SER 5 Ca -0.07 -0.32 -0.16 0.00 -1.33 0.00 0.00 58.87 56.98 1x5f n SER 5 Cb 0.51 -3.12 -0.10 0.00 -0.75 0.00 0.00 64.21 60.76 1x5f n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x5f h SER 6 N -1.41 -1.55 0.00 -3.46 0.87 -2.06 -3.47 113.55 102.47 1x5f h SER 6 Ca -0.33 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1x5f h SER 6 Cb 1.21 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 63.74 1x5f h SER 6 CO 0.31 -0.56 0.00 0.61 -0.53 0.00 0.00 176.83 176.66 1x5f n GLY 7 N -1.49 0.95 2.94 5.77 0.00 -1.26 -5.11 105.19 106.99 1x5f n GLY 7 Ca -0.08 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1x5f n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5f s GLU 8 N 0.00 2.12 0.09 1.61 0.41 -1.26 -4.95 118.70 116.72 1x5f s GLU 8 Ca 0.00 -2.81 -0.20 0.00 -0.41 0.00 0.00 54.97 51.56 1x5f s GLU 8 Cb 0.00 -3.36 -0.09 0.00 -1.78 0.00 0.00 34.13 28.90 1x5f s GLU 8 CO 0.00 -1.15 1.58 1.12 -0.49 0.00 0.00 175.26 176.32 1x5f h HIS 9 N 6.24 0.36 -3.97 1.61 2.07 -2.04 -3.44 115.15 115.97 1x5f h HIS 9 Ca -0.02 -0.04 -0.53 0.00 -2.85 0.00 0.00 60.37 56.93 1x5f h HIS 9 Cb 0.86 -0.10 0.09 0.00 2.57 0.00 0.00 27.41 30.83 1x5f h HIS 9 CO 0.57 0.44 0.61 0.00 -3.07 0.00 0.00 177.93 176.48 1x5f s ALA 10 N -5.31 3.16 -0.22 6.11 0.00 -1.26 -4.93 121.76 119.31 1x5f s ALA 10 Ca -0.14 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 1x5f s ALA 10 Cb 0.07 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1x5f s ALA 10 CO 0.72 -0.95 1.61 -1.25 0.00 0.00 0.00 175.76 175.90 1x5f s PRO 11 N -2.42 3.79 -0.48 0.00 0.04 -1.26 -4.90 135.00 129.77 1x5f s PRO 11 Ca 0.60 1.65 0.03 0.00 0.04 0.00 0.00 61.00 63.32 1x5f s PRO 11 Cb -0.38 -4.04 0.49 0.00 0.04 0.00 0.00 34.50 30.61 1x5f s PRO 11 CO 0.48 -1.30 1.70 0.00 0.04 0.00 0.00 177.00 177.93 1x5f n ALA 12 N 8.46 5.60 -1.80 8.56 0.00 -1.26 -5.03 120.51 135.04 1x5f n ALA 12 Ca 0.19 -3.46 -0.41 0.00 0.00 0.00 0.00 53.44 49.76 1x5f n ALA 12 Cb 0.45 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 1x5f n ALA 12 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1x5f s THR 13 N -4.36 2.60 -0.27 0.00 -4.23 -1.26 -4.92 115.64 103.19 1x5f s THR 13 Ca 0.57 0.58 0.03 0.00 -1.18 0.00 0.00 61.69 61.69 1x5f s THR 13 Cb 0.46 -3.37 0.06 0.00 1.34 0.00 0.00 72.50 70.99 1x5f s THR 13 CO 0.02 0.13 0.92 0.35 -0.54 0.00 0.00 174.62 175.49 1x5f n THR 14 N 1.11 0.69 -4.00 3.99 -2.24 -1.26 -5.11 114.28 107.46 1x5f n THR 14 Ca 0.02 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1x5f n THR 14 Cb 0.41 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1x5f n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5f n GLY 15 N -0.12 -0.18 3.70 3.38 0.00 -1.26 -4.90 105.19 105.82 1x5f n GLY 15 Ca 0.03 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 1x5f n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5f s PRO 16 N 0.00 0.96 0.13 1.61 0.04 -1.26 -5.08 135.00 131.39 1x5f s PRO 16 Ca 0.00 0.71 0.05 0.00 0.04 0.00 0.00 61.00 61.81 1x5f s PRO 16 Cb 0.00 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 1x5f s PRO 16 CO 0.00 -2.42 -0.13 -0.51 0.04 0.00 0.00 177.00 173.98 1x5f s LEU 17 N -6.31 2.43 0.00 -3.56 1.43 -1.26 -4.97 118.68 106.44 1x5f s LEU 17 Ca 0.64 -0.85 -0.06 0.00 -1.03 0.00 0.00 54.13 52.84 1x5f s LEU 17 Cb -0.18 -0.50 0.08 0.00 0.03 0.00 0.00 46.19 45.63 1x5f s LEU 17 CO 0.57 -0.19 0.30 -0.81 0.23 0.00 0.00 176.35 176.46 1x5f n PRO 18 N 0.40 -1.62 -4.80 1.29 -0.04 -1.26 -4.94 135.00 124.02 1x5f n PRO 18 Ca -0.14 -0.48 -0.25 0.00 -0.04 0.00 0.00 63.50 62.58 1x5f n PRO 18 Cb 0.58 -0.45 -0.16 0.00 -0.04 0.00 0.00 33.50 33.43 1x5f n PRO 18 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5f s SER 19 N -2.33 2.03 0.85 3.54 0.01 -1.26 -3.58 113.70 112.96 1x5f s SER 19 Ca 0.20 -0.32 -0.17 0.00 1.31 0.00 0.00 55.95 56.97 1x5f s SER 19 Cb -0.02 -0.38 -0.13 0.00 0.21 0.00 0.00 66.02 65.71 1x5f s SER 19 CO 0.15 0.18 -0.43 0.00 0.41 0.00 0.00 173.24 173.55 1x5f n ALA 20 N 2.89 -4.33 -1.15 1.44 0.00 -0.90 -4.62 120.51 113.83 1x5f n ALA 20 Ca -0.16 -0.48 -0.29 0.00 0.00 0.00 0.00 53.44 52.51 1x5f n ALA 20 Cb 0.54 -1.32 0.19 0.00 0.00 0.00 0.00 19.45 18.86 1x5f n ALA 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x5f s PRO 21 N -1.93 0.09 0.47 0.00 0.04 -1.26 -4.52 135.00 127.89 1x5f s PRO 21 Ca 0.48 0.40 0.04 0.00 0.04 0.00 0.00 61.00 61.96 1x5f s PRO 21 Cb -0.28 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1x5f s PRO 21 CO 0.75 -2.93 0.04 1.03 0.04 0.00 0.00 177.00 175.93 1x5f s ARG 22 N -5.03 2.11 -1.39 4.56 1.81 -1.20 -4.78 118.95 115.04 1x5f s ARG 22 Ca 0.66 -2.23 -0.02 0.00 -1.72 0.00 0.00 55.73 52.43 1x5f s ARG 22 Cb -0.17 -1.63 0.01 0.00 -0.45 0.00 0.00 34.95 32.70 1x5f s ARG 22 CO 0.57 -0.24 0.59 -0.25 -0.68 0.00 0.00 175.30 175.30 1x5f n ASP 23 N -1.17 -1.07 -4.59 0.23 8.00 -1.26 -0.22 116.55 116.46 1x5f n ASP 23 Ca -0.12 -0.91 -0.42 0.00 0.71 0.00 0.00 54.79 54.05 1x5f n ASP 23 Cb 0.67 -3.52 -0.02 0.00 -0.02 0.00 0.00 41.12 38.23 1x5f n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1x5f s VAL 24 N -3.77 3.96 0.25 2.53 1.01 -1.26 -4.00 120.40 119.12 1x5f s VAL 24 Ca 0.08 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1x5f s VAL 24 Cb -0.04 -4.45 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1x5f s VAL 24 CO 0.85 -1.03 0.22 0.68 0.00 0.00 0.00 175.10 175.83 1x5f s VAL 25 N 5.29 0.00 -0.40 2.92 -7.23 -0.38 -5.02 120.40 115.58 1x5f s VAL 25 Ca 0.53 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.70 1x5f s VAL 25 Cb -0.10 -2.49 0.08 0.00 0.56 0.00 0.00 36.38 34.44 1x5f s VAL 25 CO 0.29 0.00 0.21 0.00 -0.31 0.00 0.00 175.10 175.30 1x5f s ALA 26 N -3.88 3.20 0.55 1.32 0.00 -1.26 0.25 121.76 121.94 1x5f s ALA 26 Ca 0.38 -2.22 0.28 0.00 0.00 0.00 0.00 51.96 50.40 1x5f s ALA 26 Cb 0.05 -2.50 1.46 0.00 0.00 0.00 0.00 23.12 22.12 1x5f s ALA 26 CO 0.17 -1.65 1.95 1.03 0.00 0.00 0.00 175.76 177.26 1x5f h SER 27 N 8.26 0.00 -4.91 0.00 0.87 -0.81 -3.43 113.55 113.53 1x5f h SER 27 Ca -0.20 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.33 1x5f h SER 27 Cb 1.07 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.86 1x5f h SER 27 CO 0.72 0.00 0.24 -0.22 -0.53 0.00 0.00 176.83 177.04 1x5f s LEU 28 N -8.24 -0.59 -0.32 2.23 0.20 -1.02 -4.97 118.68 105.96 1x5f s LEU 28 Ca -0.05 0.42 0.01 0.00 0.69 0.00 0.00 54.13 55.21 1x5f s LEU 28 Cb 0.19 2.48 0.10 0.00 -0.43 0.00 0.00 46.19 48.52 1x5f s LEU 28 CO 0.68 -0.71 0.07 -0.69 -0.29 0.00 0.00 176.35 175.41 1x5f s VAL 29 N -2.12 1.55 0.56 1.68 1.01 -1.26 0.11 120.40 121.93 1x5f s VAL 29 Ca -0.06 -1.84 -0.06 0.00 0.00 0.00 0.00 61.98 60.03 1x5f s VAL 29 Cb -0.00 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1x5f s VAL 29 CO 0.01 -0.62 0.88 -0.55 0.00 0.00 0.00 175.10 174.82 1x5f s SER 30 N 1.28 5.88 0.41 3.32 0.15 0.28 -4.62 113.70 120.39 1x5f s SER 30 Ca 0.10 0.87 0.23 0.00 0.70 0.00 0.00 55.95 57.85 1x5f s SER 30 Cb -0.18 -1.98 0.71 0.00 -1.71 0.00 0.00 66.02 62.86 1x5f s SER 30 CO -0.17 -0.89 1.73 0.71 1.20 0.00 0.00 173.24 175.83 1x5f h THR 31 N -0.07 0.52 -0.00 6.45 1.35 -1.96 -3.19 112.91 115.99 1x5f h THR 31 Ca -0.46 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.11 1x5f h THR 31 Cb 1.23 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1x5f h THR 31 CO 0.61 0.24 -0.03 0.54 -0.25 0.00 0.00 175.52 176.63 1x5f n ARG 32 N -3.30 0.74 -3.82 4.72 1.74 -1.26 -1.76 116.66 113.71 1x5f n ARG 32 Ca 0.01 -0.57 -0.08 0.00 -0.77 0.00 0.00 57.85 56.44 1x5f n ARG 32 Cb 0.50 -0.99 0.02 0.00 -1.02 0.00 0.00 32.46 30.97 1x5f n ARG 32 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1x5f s PHE 33 N -0.49 0.11 -0.13 -1.55 -0.12 -1.21 -1.39 117.98 113.20 1x5f s PHE 33 Ca 0.04 -0.73 -0.06 0.00 -0.05 0.00 0.00 56.93 56.13 1x5f s PHE 33 Cb 0.03 0.81 0.06 0.00 -0.63 0.00 0.00 43.02 43.29 1x5f s PHE 33 CO 0.06 -1.44 0.29 0.42 -0.05 0.00 0.00 175.22 174.49 1x5f s ILE 34 N -2.30 -0.18 -0.20 -4.49 1.01 -1.12 0.99 121.20 114.91 1x5f s ILE 34 Ca 0.17 0.18 -0.26 0.00 0.00 0.00 0.00 60.65 60.73 1x5f s ILE 34 Cb -0.05 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.96 1x5f s ILE 34 CO 0.10 0.07 0.88 -0.75 0.00 0.00 0.00 174.94 175.24 1x5f s LYS 35 N 1.68 4.26 0.14 2.79 2.47 0.30 -2.36 119.74 129.02 1x5f s LYS 35 Ca -0.06 1.08 0.04 0.00 -1.56 0.00 0.00 55.97 55.46 1x5f s LYS 35 Cb -0.11 -3.61 -0.04 0.00 -1.46 0.00 0.00 37.83 32.62 1x5f s LYS 35 CO -0.09 -0.44 0.16 -0.51 0.16 0.00 0.00 175.35 174.62 1x5f s LEU 36 N 2.56 3.94 -0.25 5.43 2.01 -0.38 -0.17 118.68 131.82 1x5f s LEU 36 Ca 0.39 -0.02 -0.11 0.00 0.01 0.00 0.00 54.13 54.40 1x5f s LEU 36 Cb -0.16 -2.56 0.10 0.00 0.01 0.00 0.00 46.19 43.58 1x5f s LEU 36 CO 0.10 0.10 0.57 0.42 1.01 0.00 0.00 176.35 178.54 1x5f s THR 37 N -1.65 -0.48 0.21 5.49 -4.23 0.14 -2.53 115.64 112.58 1x5f s THR 37 Ca 0.31 0.05 -0.01 0.00 -1.18 0.00 0.00 61.69 60.87 1x5f s THR 37 Cb -0.11 -0.86 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 1x5f s THR 37 CO 0.24 0.02 0.13 -1.66 -0.54 0.00 0.00 174.62 172.81 1x5f s TRP 38 N 2.24 1.22 0.59 3.99 -2.14 -0.54 -1.25 118.94 123.05 1x5f s TRP 38 Ca -0.07 -1.36 0.08 0.00 2.66 0.00 0.00 56.10 57.42 1x5f s TRP 38 Cb -0.09 -0.61 0.08 0.00 -3.10 0.00 0.00 33.47 29.75 1x5f s TRP 38 CO -0.17 -0.60 0.68 1.03 -2.66 0.00 0.00 176.95 175.23 1x5f s ARG 39 N -4.13 2.23 0.36 3.25 1.81 0.69 -4.67 118.95 118.49 1x5f s ARG 39 Ca 0.39 -1.84 -0.26 0.00 -1.72 0.00 0.00 55.73 52.30 1x5f s ARG 39 Cb 0.07 -2.43 -0.09 0.00 -0.45 0.00 0.00 34.95 32.05 1x5f s ARG 39 CO 0.12 -0.86 1.13 0.95 -0.68 0.00 0.00 175.30 175.96 1x5f s THR 40 N -2.75 3.35 0.58 0.02 -4.23 -1.26 -3.22 115.64 108.13 1x5f s THR 40 Ca 0.52 1.18 -0.18 0.00 -1.18 0.00 0.00 61.69 62.03 1x5f s THR 40 Cb -0.04 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 1x5f s THR 40 CO 0.33 0.15 1.12 -2.16 -0.54 0.00 0.00 174.62 173.52 1x5f s PRO 41 N -2.09 3.19 0.29 3.99 0.04 -1.05 -4.22 135.00 135.16 1x5f s PRO 41 Ca 0.53 1.55 0.04 0.00 0.04 0.00 0.00 61.00 63.16 1x5f s PRO 41 Cb -0.29 -1.99 0.66 0.00 0.04 0.00 0.00 34.50 32.91 1x5f s PRO 41 CO 0.37 -0.97 1.79 0.00 0.04 0.00 0.00 177.00 178.23 1x5f h ALA 42 N 0.86 1.56 -0.44 8.56 0.00 -1.82 -0.84 119.26 127.14 1x5f h ALA 42 Ca -0.49 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1x5f h ALA 42 Cb 1.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1x5f h ALA 42 CO 0.56 0.01 0.02 1.03 0.00 0.00 0.00 179.25 180.87 1x5f h SER 43 N 0.79 0.73 -3.73 0.00 0.87 -1.91 -3.38 113.55 106.92 1x5f h SER 43 Ca 0.54 -0.29 -0.64 0.00 -1.23 0.00 0.00 61.79 60.17 1x5f h SER 43 Cb 0.76 -0.20 -0.40 0.00 -0.44 0.00 0.00 62.40 62.12 1x5f h SER 43 CO -0.35 0.85 -0.71 -1.81 -0.53 0.00 0.00 176.83 174.27 1x5f s ASP 44 N -6.22 4.42 0.00 6.23 1.01 -0.34 -4.95 116.67 116.82 1x5f s ASP 44 Ca -0.13 -2.31 0.15 0.00 0.71 0.00 0.00 52.55 50.97 1x5f s ASP 44 Cb 0.11 -1.43 0.72 0.00 1.01 0.00 0.00 42.92 43.32 1x5f s ASP 44 CO 0.80 -0.34 1.42 -0.81 0.21 0.00 0.00 175.17 176.44 1x5f n PRO 45 N 4.03 0.17 -0.01 8.23 -0.04 -1.11 -2.51 135.00 143.76 1x5f n PRO 45 Ca 0.04 0.17 -0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1x5f n PRO 45 Cb 0.39 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.34 1x5f n PRO 45 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1x5f n HIS 46 N -1.33 0.00 -3.29 0.54 8.25 -1.26 -4.77 115.22 113.36 1x5f n HIS 46 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.28 1x5f n HIS 46 Cb 0.13 -0.07 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 1x5f n HIS 46 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x5f n GLY 47 N 2.71 -0.21 0.08 -1.41 0.00 -1.13 -4.70 105.19 100.54 1x5f n GLY 47 Ca -0.02 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1x5f n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x5f n ASP 48 N -1.13 0.59 -1.61 1.61 2.03 -1.26 -3.87 116.55 112.91 1x5f n ASP 48 Ca 0.04 0.24 -0.03 0.00 0.52 0.00 0.00 54.79 55.56 1x5f n ASP 48 Cb 0.28 0.79 0.28 0.00 -0.72 0.00 0.00 41.12 41.75 1x5f n ASP 48 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1x5f n ASN 49 N -2.63 4.22 -3.76 1.67 2.04 -1.26 -4.56 115.26 110.98 1x5f n ASN 49 Ca -0.06 -3.28 -0.12 0.00 -0.44 0.00 0.00 54.58 50.68 1x5f n ASN 49 Cb 0.67 -0.68 -0.12 0.00 -2.53 0.00 0.00 39.78 37.11 1x5f n ASN 49 CO 0.00 0.00 0.00 -1.48 -0.44 0.00 0.00 177.26 175.34 1x5f s LEU 50 N -3.01 0.74 0.56 -4.53 0.05 -1.26 -4.13 118.68 107.10 1x5f s LEU 50 Ca 0.51 0.55 -0.07 0.00 0.05 0.00 0.00 54.13 55.17 1x5f s LEU 50 Cb 0.41 0.88 -0.02 0.00 -2.05 0.00 0.00 46.19 45.41 1x5f s LEU 50 CO 0.10 -0.12 0.89 -0.89 -0.55 0.00 0.00 176.35 175.78 1x5f s THR 51 N 0.57 4.43 -0.10 5.48 2.01 0.41 -2.35 115.64 126.09 1x5f s THR 51 Ca -0.04 0.32 0.04 0.00 0.31 0.00 0.00 61.69 62.32 1x5f s THR 51 Cb -0.05 -3.73 -0.00 0.00 0.01 0.00 0.00 72.50 68.73 1x5f s THR 51 CO -0.03 -0.80 -0.22 -0.31 -0.69 0.00 0.00 174.62 172.57 1x5f s TYR 52 N -2.95 2.58 -0.08 4.92 2.02 -1.26 0.11 117.35 122.69 1x5f s TYR 52 Ca 0.52 -0.92 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 1x5f s TYR 52 Cb -0.11 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 1x5f s TYR 52 CO 0.47 -0.35 -0.04 -1.12 -1.57 0.00 0.00 175.55 172.95 1x5f s SER 53 N 0.25 4.91 -0.28 2.29 0.01 0.90 -2.82 113.70 118.96 1x5f s SER 53 Ca -0.15 0.04 0.03 0.00 1.31 0.00 0.00 55.95 57.18 1x5f s SER 53 Cb -0.17 -1.35 0.07 0.00 0.21 0.00 0.00 66.02 64.78 1x5f s SER 53 CO 0.08 0.35 -0.06 -0.69 0.41 0.00 0.00 173.24 173.33 1x5f s VAL 54 N -0.73 2.06 -0.28 3.43 1.01 -1.19 -0.65 120.40 124.04 1x5f s VAL 54 Ca 0.11 -1.73 -0.16 0.00 0.00 0.00 0.00 61.98 60.20 1x5f s VAL 54 Cb -0.11 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1x5f s VAL 54 CO 0.02 -0.19 0.44 -0.36 0.00 0.00 0.00 175.10 175.00 1x5f s PHE 55 N 1.12 3.24 -0.05 5.22 0.40 -0.16 -1.68 117.98 126.07 1x5f s PHE 55 Ca -0.03 0.42 0.05 0.00 -0.60 0.00 0.00 56.93 56.77 1x5f s PHE 55 Cb -0.20 -2.68 -0.02 0.00 0.51 0.00 0.00 43.02 40.63 1x5f s PHE 55 CO -0.06 -0.31 -0.18 1.52 0.70 0.00 0.00 175.22 176.88 1x5f s TYR 56 N 2.20 2.58 -0.23 0.36 1.13 -0.34 -0.59 117.35 122.46 1x5f s TYR 56 Ca 0.17 -0.31 -0.12 0.00 -1.41 0.00 0.00 57.07 55.40 1x5f s TYR 56 Cb -0.16 -1.60 0.08 0.00 -1.10 0.00 0.00 41.96 39.18 1x5f s TYR 56 CO 0.10 0.07 0.54 -0.08 -2.51 0.00 0.00 175.55 173.67 1x5f s THR 57 N -0.58 -0.17 0.36 -3.49 -1.32 -1.05 -1.57 115.64 107.82 1x5f s THR 57 Ca 0.08 0.06 -0.26 0.00 -1.21 0.00 0.00 61.69 60.36 1x5f s THR 57 Cb -0.11 -0.80 -0.12 0.00 -1.51 0.00 0.00 72.50 69.96 1x5f s THR 57 CO 0.01 0.02 1.06 1.17 -2.21 0.00 0.00 174.62 174.67 1x5f n LYS 58 N 4.52 1.49 -1.43 7.08 4.81 -1.26 -1.69 118.16 131.68 1x5f n LYS 58 Ca -0.19 0.53 -0.52 0.00 -0.87 0.00 0.00 58.31 57.26 1x5f n LYS 58 Cb 0.55 -2.03 -0.08 0.00 0.02 0.00 0.00 35.03 33.50 1x5f n LYS 58 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1x5f n GLU 59 N 0.42 0.97 0.00 1.64 0.00 -1.20 -0.40 120.64 122.07 1x5f n GLU 59 Ca 0.08 0.27 0.00 0.00 0.00 0.00 0.00 57.16 57.51 1x5f n GLU 59 Cb 0.36 -2.35 0.00 0.00 0.00 0.00 0.00 31.44 29.45 1x5f n GLU 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1x5f n GLY 60 N 6.59 2.41 3.68 8.31 0.00 -1.26 -5.07 105.19 119.84 1x5f n GLY 60 Ca 0.42 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1x5f n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5f s ILE 61 N -0.53 3.52 0.14 -0.61 -1.09 0.46 -4.89 121.20 118.20 1x5f s ILE 61 Ca 0.00 0.83 0.21 0.00 -2.23 0.00 0.00 60.65 59.46 1x5f s ILE 61 Cb 0.00 -3.54 0.18 0.00 -1.58 0.00 0.00 42.46 37.52 1x5f s ILE 61 CO 0.00 -0.03 1.76 0.00 -1.23 0.00 0.00 174.94 175.44 1x5f h ALA 62 N 8.54 1.00 -2.37 9.38 0.00 -1.97 -3.43 119.26 130.39 1x5f h ALA 62 Ca -0.39 -0.28 -0.50 0.00 0.00 0.00 0.00 54.91 53.74 1x5f h ALA 62 Cb 1.18 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1x5f h ALA 62 CO 0.93 0.38 0.11 1.03 0.00 0.00 0.00 179.25 181.70 1x5f s ARG 63 N -3.61 4.10 -0.06 0.00 1.81 -1.26 -4.92 118.95 115.00 1x5f s ARG 63 Ca 0.00 0.75 -0.07 0.00 -1.72 0.00 0.00 55.73 54.70 1x5f s ARG 63 Cb 0.10 -2.57 0.02 0.00 -0.45 0.00 0.00 34.95 32.05 1x5f s ARG 63 CO 0.67 0.23 0.19 -1.83 -0.68 0.00 0.00 175.30 173.88 1x5f s GLU 64 N -2.66 0.28 -0.15 3.54 1.03 -1.26 -4.57 118.70 114.91 1x5f s GLU 64 Ca 0.51 0.17 -0.08 0.00 0.03 0.00 0.00 54.97 55.59 1x5f s GLU 64 Cb -0.12 0.13 -0.04 0.00 -0.80 0.00 0.00 34.13 33.29 1x5f s GLU 64 CO 0.18 -0.04 0.14 1.03 -1.33 0.00 0.00 175.26 175.23 1x5f s ARG 65 N -0.15 3.76 -0.04 -4.83 3.00 -0.61 -4.82 118.95 115.25 1x5f s ARG 65 Ca -0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 55.73 55.48 1x5f s ARG 65 Cb -0.02 -3.29 -0.04 0.00 0.00 0.00 0.00 34.95 31.60 1x5f s ARG 65 CO 0.01 0.58 0.20 0.54 0.00 0.00 0.00 175.30 176.62 1x5f s VAL 66 N -0.44 5.41 -0.28 3.52 0.11 -1.26 -1.20 120.40 126.26 1x5f s VAL 66 Ca 0.12 0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.28 1x5f s VAL 66 Cb -0.12 -3.50 0.08 0.00 -1.53 0.00 0.00 36.38 31.32 1x5f s VAL 66 CO 0.01 0.45 0.04 -0.70 -3.33 0.00 0.00 175.10 171.58 1x5f s GLU 67 N -1.52 1.15 -0.03 1.54 2.56 -0.68 -4.90 118.70 116.82 1x5f s GLU 67 Ca 0.23 -1.17 -0.30 0.00 0.00 0.00 0.00 54.97 53.73 1x5f s GLU 67 Cb -0.13 -2.45 -0.05 0.00 2.00 0.00 0.00 34.13 33.51 1x5f s GLU 67 CO 0.12 -0.83 1.34 -0.80 -0.56 0.00 0.00 175.26 174.53 1x5f s ASN 68 N 1.41 6.91 0.00 -1.70 0.01 -1.26 -3.18 114.94 117.13 1x5f s ASN 68 Ca 0.04 2.00 -0.35 0.00 -0.71 0.00 0.00 52.86 53.85 1x5f s ASN 68 Cb -0.18 -2.56 -0.14 0.00 0.41 0.00 0.00 41.25 38.78 1x5f s ASN 68 CO -0.14 -0.68 1.66 0.35 -1.51 0.00 0.00 177.10 176.77 1x5f n THR 69 N 4.70 0.23 -0.24 1.60 -2.24 -1.13 -4.78 114.28 112.43 1x5f n THR 69 Ca 0.13 -0.04 0.23 0.00 -2.27 0.00 0.00 64.05 62.10 1x5f n THR 69 Cb 0.44 -1.47 0.43 0.00 -2.10 0.00 0.00 70.33 67.63 1x5f n THR 69 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1x5f n SER 70 N 4.58 0.24 -4.23 3.42 2.88 -1.26 -4.17 113.62 115.08 1x5f n SER 70 Ca 0.20 1.17 -0.24 0.00 -1.33 0.00 0.00 58.87 58.67 1x5f n SER 70 Cb 0.25 -0.57 -0.14 0.00 -0.75 0.00 0.00 64.21 63.00 1x5f n SER 70 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1x5f s HIS 71 N -5.06 1.67 -0.01 0.66 3.76 -1.26 -5.11 115.29 109.94 1x5f s HIS 71 Ca -0.06 -0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.17 1x5f s HIS 71 Cb 0.24 -0.98 -0.06 0.00 1.11 0.00 0.00 32.58 32.90 1x5f s HIS 71 CO 0.56 0.10 1.45 -1.25 -0.85 0.00 0.00 174.74 174.75 1x5f s PRO 72 N -1.32 4.26 0.00 8.40 0.04 -1.26 -2.84 135.00 142.28 1x5f s PRO 72 Ca 0.06 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1x5f s PRO 72 Cb -0.09 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1x5f s PRO 72 CO 0.02 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.83 1x5f n GLY 73 N 3.75 2.35 2.68 0.56 0.00 -0.99 -4.85 105.19 108.69 1x5f n GLY 73 Ca 0.14 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.67 1x5f n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x5f n GLU 74 N -0.18 0.00 -0.27 1.61 2.13 -1.13 -4.75 120.64 118.05 1x5f n GLU 74 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1x5f n GLU 74 Cb 0.00 -1.07 0.11 0.00 0.27 0.00 0.00 31.44 30.75 1x5f n GLU 74 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1x5f n MET 75 N 2.81 2.06 -3.57 5.31 2.81 -1.26 -4.83 117.12 120.45 1x5f n MET 75 Ca 0.22 -0.91 -0.09 0.00 -1.81 0.00 0.00 57.70 55.11 1x5f n MET 75 Cb -0.04 -1.69 -0.04 0.00 -0.71 0.00 0.00 33.22 30.74 1x5f n MET 75 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1x5f s GLN 76 N -1.46 0.58 -0.01 0.03 0.00 -1.26 -1.46 119.66 116.08 1x5f s GLN 76 Ca 0.16 0.01 -0.29 0.00 -0.00 0.00 0.00 55.36 55.24 1x5f s GLN 76 Cb 0.12 0.27 0.08 0.00 0.00 0.00 0.00 33.01 33.48 1x5f s GLN 76 CO 0.04 -0.21 0.70 0.54 0.00 0.00 0.00 175.29 176.37 1x5f s VAL 77 N -1.68 0.00 -0.12 3.63 0.11 -1.05 -4.95 120.40 116.33 1x5f s VAL 77 Ca 0.02 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.02 1x5f s VAL 77 Cb -0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1x5f s VAL 77 CO -0.02 0.00 0.05 -0.89 -3.33 0.00 0.00 175.10 170.91 1x5f s THR 78 N -1.89 4.73 -0.57 5.04 2.01 -1.26 -1.25 115.64 122.45 1x5f s THR 78 Ca -0.06 -0.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1x5f s THR 78 Cb -0.00 -3.05 0.15 0.00 0.01 0.00 0.00 72.50 69.60 1x5f s THR 78 CO 0.03 0.56 0.39 -0.63 -0.69 0.00 0.00 174.62 174.28 1x5f s ILE 79 N -0.51 3.70 0.26 1.82 -1.09 -0.99 -4.97 121.20 119.42 1x5f s ILE 79 Ca 0.10 -2.67 -0.04 0.00 -2.23 0.00 0.00 60.65 55.81 1x5f s ILE 79 Cb -0.12 -3.44 0.06 0.00 -1.58 0.00 0.00 42.46 37.38 1x5f s ILE 79 CO 0.02 -0.83 0.35 0.00 -1.23 0.00 0.00 174.94 173.25 1x5f n GLN 80 N 3.84 -0.28 -3.57 2.79 3.00 -1.26 -2.80 117.38 119.10 1x5f n GLN 80 Ca 0.05 -0.57 -0.21 0.00 -0.01 0.00 0.00 57.00 56.25 1x5f n GLN 80 Cb 0.39 -0.35 0.07 0.00 0.00 0.00 0.00 30.24 30.35 1x5f n GLN 80 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1x5f n ASN 81 N -3.21 -4.01 -4.58 1.08 3.02 -1.13 -4.90 115.26 101.53 1x5f n ASN 81 Ca 0.04 -0.62 -0.25 0.00 -0.03 0.00 0.00 54.58 53.73 1x5f n ASN 81 Cb 0.16 -4.88 -0.09 0.00 -0.61 0.00 0.00 39.78 34.35 1x5f n ASN 81 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x5f s LEU 82 N -6.87 2.86 -0.16 3.41 1.43 -0.49 -5.04 118.68 113.82 1x5f s LEU 82 Ca 0.30 -1.03 -0.06 0.00 -1.03 0.00 0.00 54.13 52.31 1x5f s LEU 82 Cb -0.14 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 1x5f s LEU 82 CO 0.75 -0.16 0.06 -0.32 0.23 0.00 0.00 176.35 176.91 1x5f s MET 83 N -3.64 3.74 0.73 1.70 -2.45 -1.26 -4.48 119.30 113.63 1x5f s MET 83 Ca 0.33 -0.33 -0.12 0.00 -1.25 0.00 0.00 55.69 54.32 1x5f s MET 83 Cb -0.01 -3.14 0.04 0.00 1.25 0.00 0.00 34.83 32.97 1x5f s MET 83 CO 0.18 0.42 1.10 -1.25 1.05 0.00 0.00 175.02 176.51 1x5f s PRO 84 N -0.04 2.46 -1.34 4.11 0.04 -0.72 -3.50 135.00 136.01 1x5f s PRO 84 Ca 0.06 1.25 -0.07 0.00 0.04 0.00 0.00 61.00 62.28 1x5f s PRO 84 Cb -0.12 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.55 1x5f s PRO 84 CO 0.01 -1.50 0.47 0.00 0.04 0.00 0.00 177.00 176.02 1x5f n ALA 85 N -3.12 -1.01 -3.69 8.56 0.00 -1.19 -4.84 120.51 115.22 1x5f n ALA 85 Ca 0.10 0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.50 1x5f n ALA 85 Cb 0.53 -2.95 -0.16 0.00 0.00 0.00 0.00 19.45 16.86 1x5f n ALA 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1x5f s THR 86 N -2.97 0.25 0.44 0.00 2.01 -1.23 -4.91 115.64 109.23 1x5f s THR 86 Ca 0.33 0.05 -0.24 0.00 0.31 0.00 0.00 61.69 62.14 1x5f s THR 86 Cb -0.17 -0.34 -0.08 0.00 0.01 0.00 0.00 72.50 71.92 1x5f s THR 86 CO 0.41 0.17 1.22 -0.69 -0.69 0.00 0.00 174.62 175.03 1x5f s VAL 87 N 1.07 2.91 -0.08 3.82 1.01 -1.26 -3.30 120.40 124.57 1x5f s VAL 87 Ca -0.09 0.74 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 1x5f s VAL 87 Cb -0.14 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 32.89 1x5f s VAL 87 CO -0.02 0.05 0.17 -0.31 0.00 0.00 0.00 175.10 174.99 1x5f s TYR 88 N -1.41 -0.20 -0.54 5.22 2.02 0.14 -3.26 117.35 119.31 1x5f s TYR 88 Ca 0.61 0.60 -0.23 0.00 -0.37 0.00 0.00 57.07 57.68 1x5f s TYR 88 Cb -0.33 -0.14 0.05 0.00 -0.40 0.00 0.00 41.96 41.14 1x5f s TYR 88 CO 0.40 -0.23 0.85 0.42 -1.57 0.00 0.00 175.55 175.42 1x5f s ILE 89 N 1.73 4.53 -0.01 2.71 -1.09 -0.68 -1.54 121.20 126.86 1x5f s ILE 89 Ca -0.03 0.01 -0.12 0.00 -2.23 0.00 0.00 60.65 58.28 1x5f s ILE 89 Cb -0.12 -4.48 -0.05 0.00 -1.58 0.00 0.00 42.46 36.23 1x5f s ILE 89 CO -0.06 -1.04 0.35 -0.36 -1.23 0.00 0.00 174.94 172.60 1x5f s PHE 90 N 3.56 3.67 -0.12 3.97 0.40 -0.03 -2.52 117.98 126.90 1x5f s PHE 90 Ca 0.25 0.85 -0.01 0.00 -0.60 0.00 0.00 56.93 57.42 1x5f s PHE 90 Cb -0.15 -2.19 0.04 0.00 0.51 0.00 0.00 43.02 41.23 1x5f s PHE 90 CO 0.16 0.64 -0.02 1.03 0.70 0.00 0.00 175.22 177.74 1x5f s ARG 91 N -1.27 0.94 -0.14 0.44 0.52 0.24 -0.61 118.95 119.08 1x5f s ARG 91 Ca 0.24 -0.19 -0.15 0.00 -0.52 0.00 0.00 55.73 55.12 1x5f s ARG 91 Cb -0.15 -1.52 -0.05 0.00 0.52 0.00 0.00 34.95 33.75 1x5f s ARG 91 CO 0.13 -0.39 0.34 0.08 0.02 0.00 0.00 175.30 175.48 1x5f s VAL 92 N 1.84 5.27 0.04 3.52 1.01 -1.26 -0.99 120.40 129.82 1x5f s VAL 92 Ca 0.03 0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.68 1x5f s VAL 92 Cb -0.14 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1x5f s VAL 92 CO -0.07 0.39 -0.07 -0.32 0.00 0.00 0.00 175.10 175.03 1x5f s MET 93 N 0.38 0.48 0.17 2.72 0.00 0.18 0.31 119.30 123.55 1x5f s MET 93 Ca 0.19 -0.70 -0.02 0.00 0.00 0.00 0.00 55.69 55.16 1x5f s MET 93 Cb -0.14 -0.21 -0.05 0.00 0.00 0.00 0.00 34.83 34.44 1x5f s MET 93 CO 0.06 0.03 0.37 0.00 0.00 0.00 0.00 175.02 175.48 1x5f s ALA 94 N -1.34 3.84 -0.14 4.11 0.00 -1.26 -0.07 121.76 126.90 1x5f s ALA 94 Ca -0.11 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 1x5f s ALA 94 Cb -0.10 -2.01 0.07 0.00 0.00 0.00 0.00 23.12 21.08 1x5f s ALA 94 CO 0.00 0.53 0.22 -0.65 0.00 0.00 0.00 175.76 175.86 1x5f s GLN 95 N -3.09 0.13 0.44 0.00 -0.21 0.29 -3.06 119.66 114.16 1x5f s GLN 95 Ca 0.39 0.56 0.02 0.00 0.02 0.00 0.00 55.36 56.35 1x5f s GLN 95 Cb -0.11 -0.40 0.02 0.00 1.00 0.00 0.00 33.01 33.52 1x5f s GLN 95 CO 0.28 -0.39 0.16 0.27 -2.12 0.00 0.00 175.29 173.50 1x5f n ASN 96 N 5.34 2.82 -0.44 5.90 0.23 -1.13 0.16 115.26 128.14 1x5f n ASN 96 Ca -0.05 -2.71 0.35 0.00 -0.53 0.00 0.00 54.58 51.64 1x5f n ASN 96 Cb 0.50 0.14 0.57 0.00 -2.08 0.00 0.00 39.78 38.90 1x5f n ASN 96 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1x5f n LYS 97 N -1.30 -0.02 0.00 -3.83 2.85 -1.26 -0.89 118.16 113.72 1x5f n LYS 97 Ca -0.10 0.93 0.00 0.00 -1.05 0.00 0.00 58.31 58.09 1x5f n LYS 97 Cb 0.53 -1.94 0.00 0.00 -0.65 0.00 0.00 35.03 32.97 1x5f n LYS 97 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1x5f n HIS 98 N -3.97 0.00 0.00 5.58 8.25 -1.26 -5.08 115.22 118.74 1x5f n HIS 98 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1x5f n HIS 98 Cb 1.36 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 32.07 1x5f n HIS 98 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x5f n GLY 99 N 0.56 -0.63 3.65 -1.41 0.00 -0.06 -5.00 105.19 102.29 1x5f n GLY 99 Ca 0.00 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 1x5f n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5f s SER 100 N -4.00 6.95 0.00 1.61 0.01 -1.26 -2.82 113.70 114.19 1x5f s SER 100 Ca 0.00 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.40 1x5f s SER 100 Cb 0.00 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1x5f s SER 100 CO 0.00 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.57 1x5f n GLY 101 N 3.66 1.06 3.25 3.44 0.00 -1.17 -4.96 105.19 110.46 1x5f n GLY 101 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1x5f n GLY 101 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x5f s GLU 102 N 0.40 2.29 -0.19 1.61 2.12 -1.23 -4.96 118.70 118.73 1x5f s GLU 102 Ca 0.00 -0.84 -0.23 0.00 0.36 0.00 0.00 54.97 54.26 1x5f s GLU 102 Cb 0.00 -2.00 -0.02 0.00 0.26 0.00 0.00 34.13 32.38 1x5f s GLU 102 CO 0.00 0.38 0.72 -1.12 -0.54 0.00 0.00 175.26 174.70 1x5f s SER 103 N -0.21 6.79 1.11 -1.70 0.01 -1.26 -2.13 113.70 116.31 1x5f s SER 103 Ca -0.01 0.97 -0.17 0.00 1.31 0.00 0.00 55.95 58.05 1x5f s SER 103 Cb -0.12 -2.39 0.18 0.00 0.21 0.00 0.00 66.02 63.89 1x5f s SER 103 CO 0.02 -0.34 0.29 -1.54 0.41 0.00 0.00 173.24 172.08 1x5f n SER 104 N 5.20 -2.93 -4.77 2.44 3.41 0.15 -4.90 113.62 112.22 1x5f n SER 104 Ca 0.01 -0.36 -0.36 0.00 -0.26 0.00 0.00 58.87 57.90 1x5f n SER 104 Cb 0.49 -0.86 -0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1x5f n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5f s ALA 105 N -2.13 2.84 -0.28 7.33 0.00 -1.26 -4.62 121.76 123.64 1x5f s ALA 105 Ca 0.47 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 53.06 1x5f s ALA 105 Cb -0.09 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 1x5f s ALA 105 CO 0.47 -0.76 1.65 -1.25 0.00 0.00 0.00 175.76 175.87 1x5f s PRO 106 N -2.94 3.63 -0.19 0.00 0.04 -1.26 -4.63 135.00 129.64 1x5f s PRO 106 Ca 0.68 1.50 -0.19 0.00 0.04 0.00 0.00 61.00 63.03 1x5f s PRO 106 Cb -0.28 -4.08 -0.03 0.00 0.04 0.00 0.00 34.50 30.15 1x5f s PRO 106 CO 0.33 -1.50 0.55 -1.17 0.04 0.00 0.00 177.00 175.25 1x5f s LEU 107 N 5.75 4.16 -0.59 -3.56 2.96 0.22 -4.88 118.68 122.73 1x5f s LEU 107 Ca 0.73 0.74 -0.21 0.00 -0.22 0.00 0.00 54.13 55.17 1x5f s LEU 107 Cb -0.23 -2.77 0.08 0.00 0.50 0.00 0.00 46.19 43.77 1x5f s LEU 107 CO 0.31 -0.20 0.81 -0.60 -1.32 0.00 0.00 176.35 175.36 1x5f s ARG 108 N 1.64 3.12 -0.04 1.98 3.52 -1.26 -0.85 118.95 127.06 1x5f s ARG 108 Ca 0.26 -0.93 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 1x5f s ARG 108 Cb -0.16 -4.19 -0.03 0.00 -1.56 0.00 0.00 34.95 29.01 1x5f s ARG 108 CO 0.10 -1.57 -0.02 0.08 -0.81 0.00 0.00 175.30 173.08 1x5f s VAL 109 N 3.33 4.08 -0.16 7.11 1.01 -0.59 -4.93 120.40 130.26 1x5f s VAL 109 Ca 0.18 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1x5f s VAL 109 Cb -0.19 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.45 1x5f s VAL 109 CO 0.10 0.49 -0.16 -0.70 0.00 0.00 0.00 175.10 174.83 1x5f s GLU 110 N -1.21 2.50 1.11 2.72 2.12 -1.26 0.29 118.70 124.97 1x5f s GLU 110 Ca 0.16 -0.64 -0.19 0.00 0.36 0.00 0.00 54.97 54.67 1x5f s GLU 110 Cb -0.11 -2.24 0.28 0.00 0.26 0.00 0.00 34.13 32.31 1x5f s GLU 110 CO 0.06 -0.23 0.89 0.25 -0.54 0.00 0.00 175.26 175.69 1x5f n THR 111 N 4.72 0.00 -4.46 -1.70 -2.24 -1.21 -4.93 114.28 104.47 1x5f n THR 111 Ca -0.18 -0.31 -0.33 0.00 -2.27 0.00 0.00 64.05 60.96 1x5f n THR 111 Cb 0.50 -1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 67.51 1x5f n THR 111 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1x5f s GLN 112 N -5.04 2.74 -0.52 -0.78 -1.52 -1.26 -3.65 119.66 109.62 1x5f s GLN 112 Ca 0.60 -0.58 -0.27 0.00 -1.95 0.00 0.00 55.36 53.16 1x5f s GLN 112 Cb -0.07 -2.62 -0.02 0.00 -0.22 0.00 0.00 33.01 30.08 1x5f s GLN 112 CO 0.47 0.65 1.81 -1.25 -0.25 0.00 0.00 175.29 176.72 1x5f s PRO 113 N -1.15 2.88 -0.46 2.91 0.04 -1.26 -3.16 135.00 134.80 1x5f s PRO 113 Ca 0.15 0.84 -0.04 0.00 0.04 0.00 0.00 61.00 62.00 1x5f s PRO 113 Cb -0.11 -4.31 0.09 0.00 0.04 0.00 0.00 34.50 30.21 1x5f s PRO 113 CO 0.05 -2.42 2.67 -0.85 0.04 0.00 0.00 177.00 176.49 1x5f n GLU 114 N 8.91 2.37 -5.19 4.56 0.28 -1.26 -4.91 120.64 125.40 1x5f n GLU 114 Ca 0.21 -2.35 -0.32 0.00 -0.16 0.00 0.00 57.16 54.54 1x5f n GLU 114 Cb 0.50 -2.11 -0.15 0.00 1.43 0.00 0.00 31.44 31.11 1x5f n GLU 114 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1x5f s SER 115 N 0.24 3.33 0.00 -1.84 1.04 -1.26 -4.99 113.70 110.21 1x5f s SER 115 Ca 0.56 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1x5f s SER 115 Cb 0.38 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.00 1x5f s SER 115 CO -0.21 0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1x5f n GLY 116 N 2.42 -1.34 3.56 7.32 0.00 -1.26 -4.84 105.19 111.05 1x5f n GLY 116 Ca -0.16 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.55 1x5f n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5f s PRO 117 N 0.00 2.55 0.26 1.61 0.04 -1.26 -4.84 135.00 133.37 1x5f s PRO 117 Ca 0.00 -0.36 -0.10 0.00 0.04 0.00 0.00 61.00 60.58 1x5f s PRO 117 Cb 0.00 -5.08 0.40 0.00 0.04 0.00 0.00 34.50 29.87 1x5f s PRO 117 CO 0.00 -3.42 1.51 0.43 0.04 0.00 0.00 177.00 175.56 1x5f n SER 118 N 13.99 -0.41 -4.62 6.66 7.64 -1.26 -3.95 113.62 131.68 1x5f n SER 118 Ca 0.40 1.67 -0.43 0.00 1.01 0.00 0.00 58.87 61.53 1x5f n SER 118 Cb 0.47 -0.48 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 1x5f n SER 118 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5f s SER 119 N -5.27 6.52 0.00 6.43 1.04 -1.26 -5.15 113.70 116.01 1x5f s SER 119 Ca -0.14 1.02 0.08 0.00 0.48 0.00 0.00 55.95 57.39 1x5f s SER 119 Cb 0.25 -2.54 0.48 0.00 0.10 0.00 0.00 66.02 64.31 1x5f s SER 119 CO 0.74 -1.24 0.93 0.61 0.98 0.00 0.00 173.24 175.26