#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5f h SER 2 N 0.00 0.69 0.00 1.61 0.02 -2.07 -3.37 113.55 110.42 1x5f h SER 2 Ca 0.00 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1x5f h SER 2 Cb 0.00 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 1x5f h SER 2 CO 0.00 0.68 -0.86 -0.24 -1.14 0.00 0.00 176.83 175.27 1x5f n SER 3 N -4.55 1.89 -4.95 3.07 2.88 -1.26 -5.01 113.62 105.69 1x5f n SER 3 Ca 0.02 0.45 -0.24 0.00 -1.33 0.00 0.00 58.87 57.76 1x5f n SER 3 Cb 0.16 -0.79 0.05 0.00 -0.75 0.00 0.00 64.21 62.88 1x5f n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5f s GLY 4 N -4.67 1.74 0.02 0.46 0.00 -1.26 -5.09 107.32 98.51 1x5f s GLY 4 Ca -0.24 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.36 1x5f s GLY 4 CO 0.36 -0.74 0.24 -0.45 0.00 0.00 0.00 173.10 172.50 1x5f s SER 5 N -4.46 6.43 0.06 1.64 0.15 -1.26 -4.36 113.70 111.91 1x5f s SER 5 Ca 0.58 0.44 -0.31 0.00 0.70 0.00 0.00 55.95 57.37 1x5f s SER 5 Cb -0.11 -2.04 -0.07 0.00 -1.71 0.00 0.00 66.02 62.09 1x5f s SER 5 CO 0.42 0.22 1.46 -0.55 1.20 0.00 0.00 173.24 176.00 1x5f s SER 6 N -1.98 6.77 0.00 5.45 0.15 -1.26 -4.93 113.70 117.91 1x5f s SER 6 Ca 0.30 2.30 0.00 0.00 0.70 0.00 0.00 55.95 59.24 1x5f s SER 6 Cb -0.13 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1x5f s SER 6 CO 0.20 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1x5f n GLY 7 N 3.68 3.52 3.76 9.45 0.00 -1.26 -5.13 105.19 119.21 1x5f n GLY 7 Ca 0.13 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1x5f n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x5f s GLU 8 N -2.19 4.44 0.13 1.61 -6.30 -1.26 -5.03 118.70 110.10 1x5f s GLU 8 Ca 0.00 2.09 -0.09 0.00 -2.50 0.00 0.00 54.97 54.47 1x5f s GLU 8 Cb 0.00 -3.11 -0.00 0.00 0.00 0.00 0.00 34.13 31.02 1x5f s GLU 8 CO 0.00 -0.08 0.26 -3.38 0.02 0.00 0.00 175.26 172.07 1x5f s HIS 9 N -1.06 0.27 -0.29 5.30 -3.43 -1.26 -5.17 115.29 109.65 1x5f s HIS 9 Ca 0.48 -0.66 -0.25 0.00 -0.80 0.00 0.00 55.06 53.83 1x5f s HIS 9 Cb -0.37 -0.04 0.15 0.00 -1.43 0.00 0.00 32.58 30.88 1x5f s HIS 9 CO 0.49 -0.65 1.19 0.00 -2.00 0.00 0.00 174.74 173.76 1x5f s ALA 10 N -3.92 -2.07 -0.69 -1.38 0.00 -1.26 -5.11 121.76 107.34 1x5f s ALA 10 Ca 0.12 1.81 -0.26 0.00 0.00 0.00 0.00 51.96 53.62 1x5f s ALA 10 Cb 0.04 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1x5f s ALA 10 CO -0.05 -0.19 1.88 -1.25 0.00 0.00 0.00 175.76 176.16 1x5f s PRO 11 N 0.16 2.61 0.23 0.00 0.04 -1.26 -4.90 135.00 131.89 1x5f s PRO 11 Ca 0.05 0.38 -0.22 0.00 0.04 0.00 0.00 61.00 61.25 1x5f s PRO 11 Cb -0.05 -4.56 0.04 0.00 0.04 0.00 0.00 34.50 29.97 1x5f s PRO 11 CO -0.10 -2.89 0.73 0.00 0.04 0.00 0.00 177.00 174.78 1x5f s ALA 12 N 9.32 -1.36 0.03 8.56 0.00 -1.26 -5.17 121.76 131.88 1x5f s ALA 12 Ca 0.68 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.61 1x5f s ALA 12 Cb -0.11 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 1x5f s ALA 12 CO 0.15 -0.98 -0.06 -0.08 0.00 0.00 0.00 175.76 174.80 1x5f s THR 13 N -3.79 3.70 -0.62 0.00 -1.32 -1.26 -5.08 115.64 107.26 1x5f s THR 13 Ca 0.09 -0.86 -0.18 0.00 -1.21 0.00 0.00 61.69 59.53 1x5f s THR 13 Cb -0.04 -2.65 0.12 0.00 -1.51 0.00 0.00 72.50 68.41 1x5f s THR 13 CO 0.02 0.31 0.71 0.42 -2.21 0.00 0.00 174.62 173.88 1x5f s THR 14 N -1.08 4.92 0.00 5.08 -4.23 -1.26 -4.96 115.64 114.10 1x5f s THR 14 Ca 0.19 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1x5f s THR 14 Cb -0.11 -4.49 0.00 0.00 1.34 0.00 0.00 72.50 69.24 1x5f s THR 14 CO 0.10 -1.12 0.00 0.61 -0.54 0.00 0.00 174.62 173.67 1x5f n GLY 15 N 5.19 -1.47 3.77 3.99 0.00 -1.26 -4.80 105.19 110.61 1x5f n GLY 15 Ca -0.06 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 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 2.45 0.11 1.61 0.04 -1.26 -5.06 135.00 132.88 1x5f s PRO 16 Ca 0.00 1.25 0.08 0.00 0.04 0.00 0.00 61.00 62.37 1x5f s PRO 16 Cb 0.00 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1x5f s PRO 16 CO 0.00 -1.50 -0.16 -0.51 0.04 0.00 0.00 177.00 174.86 1x5f s LEU 17 N -5.55 2.77 0.00 -3.56 1.43 -1.26 -4.95 118.68 107.56 1x5f s LEU 17 Ca 0.63 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1x5f s LEU 17 Cb -0.18 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1x5f s LEU 17 CO 0.51 0.18 0.00 -0.81 0.23 0.00 0.00 176.35 176.46 1x5f n PRO 18 N 0.83 0.12 -4.18 1.29 -0.04 -1.26 -4.94 135.00 126.82 1x5f n PRO 18 Ca -0.15 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.14 1x5f n PRO 18 Cb 0.53 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.86 1x5f n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5f s SER 19 N -1.51 1.29 0.78 3.54 0.15 -1.26 -3.77 113.70 112.92 1x5f s SER 19 Ca 0.00 -0.51 -0.15 0.00 0.70 0.00 0.00 55.95 56.00 1x5f s SER 19 Cb 0.00 -0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.29 1x5f s SER 19 CO 0.00 -0.08 0.79 0.00 1.20 0.00 0.00 173.24 175.15 1x5f n ALA 20 N 1.65 -1.00 -1.21 5.45 0.00 -1.16 -4.58 120.51 119.66 1x5f n ALA 20 Ca -0.20 -0.31 -0.30 0.00 0.00 0.00 0.00 53.44 52.62 1x5f n ALA 20 Cb 0.55 -2.01 0.13 0.00 0.00 0.00 0.00 19.45 18.12 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 -3.40 1.35 0.50 0.00 0.04 -1.26 -4.45 135.00 127.77 1x5f s PRO 21 Ca 0.68 0.85 0.05 0.00 0.04 0.00 0.00 61.00 62.62 1x5f s PRO 21 Cb -0.31 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 1x5f s PRO 21 CO 0.56 -2.19 0.23 1.03 0.04 0.00 0.00 177.00 176.67 1x5f s ARG 22 N -4.93 2.23 -1.47 4.56 1.81 -1.20 -4.73 118.95 115.22 1x5f s ARG 22 Ca 0.63 -2.08 -0.08 0.00 -1.72 0.00 0.00 55.73 52.48 1x5f s ARG 22 Cb -0.18 -1.90 0.06 0.00 -0.45 0.00 0.00 34.95 32.47 1x5f s ARG 22 CO 0.57 -0.40 0.79 -0.25 -0.68 0.00 0.00 175.30 175.33 1x5f n ASP 23 N -1.47 -2.89 -4.59 0.23 9.92 -1.26 -0.39 116.55 116.09 1x5f n ASP 23 Ca -0.07 -0.85 -0.43 0.00 -0.53 0.00 0.00 54.79 52.91 1x5f n ASP 23 Cb 0.65 -3.67 -0.02 0.00 -0.64 0.00 0.00 41.12 37.44 1x5f n ASP 23 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1x5f s VAL 24 N -3.51 3.82 0.27 2.53 1.01 -1.26 -4.05 120.40 119.20 1x5f s VAL 24 Ca 0.38 0.80 -0.00 0.00 0.00 0.00 0.00 61.98 63.16 1x5f s VAL 24 Cb -0.20 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1x5f s VAL 24 CO 0.85 -0.80 0.28 0.68 0.00 0.00 0.00 175.10 176.10 1x5f s VAL 25 N 5.83 0.00 -0.41 2.92 -7.23 -0.02 -4.97 120.40 116.52 1x5f s VAL 25 Ca 0.62 -1.85 -0.08 0.00 -1.81 0.00 0.00 61.98 58.85 1x5f s VAL 25 Cb -0.14 -2.49 0.08 0.00 0.56 0.00 0.00 36.38 34.39 1x5f s VAL 25 CO 0.31 0.00 0.24 0.00 -0.31 0.00 0.00 175.10 175.34 1x5f s ALA 26 N -3.74 3.25 0.47 1.32 0.00 -1.26 0.30 121.76 122.10 1x5f s ALA 26 Ca 0.36 -2.17 0.18 0.00 0.00 0.00 0.00 51.96 50.33 1x5f s ALA 26 Cb 0.03 -2.59 1.16 0.00 0.00 0.00 0.00 23.12 21.72 1x5f s ALA 26 CO 0.18 -1.65 1.99 1.03 0.00 0.00 0.00 175.76 177.31 1x5f h SER 27 N 8.35 0.24 -5.00 0.00 0.87 -0.76 -3.43 113.55 113.82 1x5f h SER 27 Ca -0.22 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.26 1x5f h SER 27 Cb 1.08 -0.04 -0.19 0.00 -0.44 0.00 0.00 62.40 62.80 1x5f h SER 27 CO 0.74 0.14 -0.08 -0.22 -0.53 0.00 0.00 176.83 176.88 1x5f s LEU 28 N -9.15 0.21 -0.34 2.23 0.20 -0.96 -4.98 118.68 105.89 1x5f s LEU 28 Ca -0.07 0.33 0.02 0.00 0.69 0.00 0.00 54.13 55.10 1x5f s LEU 28 Cb 0.20 1.81 0.10 0.00 -0.43 0.00 0.00 46.19 47.87 1x5f s LEU 28 CO 0.74 -0.53 0.10 -0.69 -0.29 0.00 0.00 176.35 175.67 1x5f s VAL 29 N -1.38 1.59 0.58 1.68 1.01 -1.26 0.11 120.40 122.73 1x5f s VAL 29 Ca -0.12 -1.98 -0.05 0.00 0.00 0.00 0.00 61.98 59.83 1x5f s VAL 29 Cb -0.03 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1x5f s VAL 29 CO 0.06 -0.67 0.88 -0.55 0.00 0.00 0.00 175.10 174.82 1x5f s SER 30 N 1.13 5.58 0.44 3.32 0.15 0.20 -4.57 113.70 119.95 1x5f s SER 30 Ca 0.11 0.64 0.26 0.00 0.70 0.00 0.00 55.95 57.66 1x5f s SER 30 Cb -0.19 -1.65 0.64 0.00 -1.71 0.00 0.00 66.02 63.12 1x5f s SER 30 CO -0.15 -1.05 1.72 0.71 1.20 0.00 0.00 173.24 175.67 1x5f h THR 31 N -0.13 0.00 -0.00 6.45 1.35 -1.96 -3.24 112.91 115.38 1x5f h THR 31 Ca -0.45 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 1x5f h THR 31 Cb 1.26 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 1x5f h THR 31 CO 0.60 0.00 -0.07 0.54 -0.25 0.00 0.00 175.52 176.34 1x5f n ARG 32 N -2.99 3.17 -3.75 4.72 1.74 -1.26 -2.30 116.66 115.99 1x5f n ARG 32 Ca 0.03 -0.30 -0.08 0.00 -0.77 0.00 0.00 57.85 56.74 1x5f n ARG 32 Cb 0.46 -0.81 0.03 0.00 -1.02 0.00 0.00 32.46 31.11 1x5f n ARG 32 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1x5f n PHE 33 N -0.52 -2.15 -3.69 -1.55 1.16 -1.22 -1.23 117.46 108.25 1x5f n PHE 33 Ca 0.01 -1.72 -0.11 0.00 -1.87 0.00 0.00 57.45 53.76 1x5f n PHE 33 Cb 0.06 0.86 -0.12 0.00 -1.61 0.00 0.00 39.48 38.66 1x5f n PHE 33 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1x5f s ILE 34 N -2.10 -0.23 -0.19 1.97 1.01 -0.95 0.62 121.20 121.32 1x5f s ILE 34 Ca 0.17 0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.73 1x5f s ILE 34 Cb -0.04 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.91 1x5f s ILE 34 CO 0.10 0.07 0.86 -0.75 0.00 0.00 0.00 174.94 175.23 1x5f s LYS 35 N 1.83 4.27 0.17 2.79 2.47 0.29 -2.09 119.74 129.47 1x5f s LYS 35 Ca -0.05 1.06 0.04 0.00 -1.56 0.00 0.00 55.97 55.45 1x5f s LYS 35 Cb -0.11 -3.60 -0.04 0.00 -1.46 0.00 0.00 37.83 32.63 1x5f s LYS 35 CO -0.10 -0.41 0.26 -0.51 0.16 0.00 0.00 175.35 174.74 1x5f s LEU 36 N 2.43 4.19 -0.24 5.43 2.01 0.50 -0.12 118.68 132.88 1x5f s LEU 36 Ca 0.39 0.07 -0.13 0.00 0.01 0.00 0.00 54.13 54.47 1x5f s LEU 36 Cb -0.16 -2.76 0.07 0.00 0.01 0.00 0.00 46.19 43.35 1x5f s LEU 36 CO 0.11 0.03 0.57 0.42 1.01 0.00 0.00 176.35 178.49 1x5f s THR 37 N -1.80 -0.09 0.23 5.49 -4.23 0.15 -2.51 115.64 112.89 1x5f s THR 37 Ca 0.34 0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 60.83 1x5f s THR 37 Cb -0.10 -0.84 -0.02 0.00 1.34 0.00 0.00 72.50 72.88 1x5f s THR 37 CO 0.27 0.02 0.30 -1.66 -0.54 0.00 0.00 174.62 173.01 1x5f s TRP 38 N 1.65 0.87 0.57 3.99 -2.14 -0.14 -0.84 118.94 122.89 1x5f s TRP 38 Ca -0.09 -1.13 0.08 0.00 2.66 0.00 0.00 56.10 57.61 1x5f s TRP 38 Cb -0.07 -0.24 0.07 0.00 -3.10 0.00 0.00 33.47 30.13 1x5f s TRP 38 CO -0.17 -0.82 0.62 1.03 -2.66 0.00 0.00 176.95 174.94 1x5f s ARG 39 N -4.00 2.26 0.37 3.25 0.52 0.48 -4.67 118.95 117.16 1x5f s ARG 39 Ca 0.32 -1.84 -0.27 0.00 -0.52 0.00 0.00 55.73 53.42 1x5f s ARG 39 Cb 0.03 -2.38 -0.09 0.00 0.52 0.00 0.00 34.95 33.03 1x5f s ARG 39 CO 0.12 -0.77 1.17 0.95 0.02 0.00 0.00 175.30 176.79 1x5f s THR 40 N -2.73 3.16 0.77 0.02 -4.23 -1.26 -3.26 115.64 108.10 1x5f s THR 40 Ca 0.48 1.04 -0.11 0.00 -1.18 0.00 0.00 61.69 61.93 1x5f s THR 40 Cb -0.04 -3.61 0.05 0.00 1.34 0.00 0.00 72.50 70.24 1x5f s THR 40 CO 0.30 0.15 1.09 -2.16 -0.54 0.00 0.00 174.62 173.47 1x5f s PRO 41 N -2.06 2.28 0.37 3.99 0.04 -1.08 -4.25 135.00 134.29 1x5f s PRO 41 Ca 0.53 1.18 0.04 0.00 0.04 0.00 0.00 61.00 62.80 1x5f s PRO 41 Cb -0.32 -1.90 0.70 0.00 0.04 0.00 0.00 34.50 33.02 1x5f s PRO 41 CO 0.41 -1.62 1.99 0.00 0.04 0.00 0.00 177.00 177.82 1x5f h ALA 42 N -1.06 1.56 -0.12 8.56 0.00 -1.83 -2.05 119.26 124.31 1x5f h ALA 42 Ca -0.44 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 1x5f h ALA 42 Cb 1.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1x5f h ALA 42 CO 0.51 0.37 -0.53 0.66 0.00 0.00 0.00 179.25 180.27 1x5f h SER 43 N 0.67 0.39 -3.23 0.00 4.64 -1.91 -3.39 113.55 110.71 1x5f h SER 43 Ca 0.17 -0.20 -0.59 0.00 -0.47 0.00 0.00 61.79 60.70 1x5f h SER 43 Cb 0.02 -0.11 -0.40 0.00 -0.31 0.00 0.00 62.40 61.60 1x5f h SER 43 CO -0.03 0.84 -0.75 -1.81 -0.87 0.00 0.00 176.83 174.21 1x5f s ASP 44 N -6.89 4.08 0.14 4.97 1.01 -0.78 -4.96 116.67 114.24 1x5f s ASP 44 Ca -0.05 -1.77 0.19 0.00 0.71 0.00 0.00 52.55 51.63 1x5f s ASP 44 Cb 0.12 -0.96 0.81 0.00 1.01 0.00 0.00 42.92 43.90 1x5f s ASP 44 CO 0.81 -0.40 1.59 -0.81 0.21 0.00 0.00 175.17 176.57 1x5f n PRO 45 N 4.69 0.11 -0.02 8.23 -0.04 -1.18 -2.64 135.00 144.14 1x5f n PRO 45 Ca -0.01 0.35 -0.01 0.00 -0.04 0.00 0.00 63.50 63.80 1x5f n PRO 45 Cb 0.41 -1.70 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.90 0.00 -3.38 0.54 8.25 -1.26 -4.80 115.22 112.67 1x5f n HIS 46 Ca 0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.24 1x5f n HIS 46 Cb 0.20 -0.20 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 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 2.52 -0.21 0.03 -1.41 0.00 -1.17 -4.70 105.19 100.25 1x5f n GLY 47 Ca -0.05 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.24 0.43 -1.09 1.61 2.03 -1.26 -4.01 116.55 113.01 1x5f n ASP 48 Ca 0.03 -0.15 0.08 0.00 0.52 0.00 0.00 54.79 55.27 1x5f n ASP 48 Cb 0.30 1.32 0.29 0.00 -0.72 0.00 0.00 41.12 42.30 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 -2.13 4.24 -3.74 1.67 0.23 -1.26 -4.56 115.26 109.70 1x5f n ASN 49 Ca -0.01 -3.02 -0.14 0.00 -0.53 0.00 0.00 54.58 50.89 1x5f n ASN 49 Cb 0.50 -0.58 -0.14 0.00 -2.08 0.00 0.00 39.78 37.48 1x5f n ASN 49 CO 0.00 0.00 0.00 -1.48 -0.93 0.00 0.00 177.26 174.85 1x5f s LEU 50 N -2.83 0.67 0.75 -4.53 0.05 -1.26 -4.43 118.68 107.10 1x5f s LEU 50 Ca 0.45 0.31 -0.11 0.00 0.05 0.00 0.00 54.13 54.82 1x5f s LEU 50 Cb 0.36 0.37 0.04 0.00 -2.05 0.00 0.00 46.19 44.90 1x5f s LEU 50 CO 0.10 -0.15 1.08 -0.89 -0.55 0.00 0.00 176.35 175.93 1x5f s THR 51 N 1.23 3.56 -0.13 5.48 2.01 0.25 -2.91 115.64 125.13 1x5f s THR 51 Ca -0.09 0.51 0.01 0.00 0.31 0.00 0.00 61.69 62.43 1x5f s THR 51 Cb -0.12 -3.24 0.02 0.00 0.01 0.00 0.00 72.50 69.17 1x5f s THR 51 CO -0.06 -0.66 -0.16 -0.31 -0.69 0.00 0.00 174.62 172.74 1x5f s TYR 52 N -3.09 2.18 0.17 4.92 2.02 -1.26 0.11 117.35 122.40 1x5f s TYR 52 Ca 0.59 -1.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.16 1x5f s TYR 52 Cb -0.14 -1.57 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 1x5f s TYR 52 CO 0.55 -0.60 0.33 -1.12 -1.57 0.00 0.00 175.55 173.14 1x5f s SER 53 N 1.21 6.36 -0.16 2.29 0.01 0.11 -2.93 113.70 120.59 1x5f s SER 53 Ca -0.01 0.29 -0.02 0.00 1.31 0.00 0.00 55.95 57.52 1x5f s SER 53 Cb -0.14 -1.96 0.05 0.00 0.21 0.00 0.00 66.02 64.18 1x5f s SER 53 CO -0.06 0.02 0.01 -0.69 0.41 0.00 0.00 173.24 172.92 1x5f s VAL 54 N -1.78 0.62 -0.32 3.43 1.01 -1.12 -1.32 120.40 120.91 1x5f s VAL 54 Ca 0.36 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1x5f s VAL 54 Cb -0.11 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1x5f s VAL 54 CO 0.29 -0.05 0.22 -0.36 0.00 0.00 0.00 175.10 175.20 1x5f s PHE 55 N 1.83 3.22 -0.03 5.22 0.40 0.73 -1.55 117.98 127.80 1x5f s PHE 55 Ca 0.00 -0.17 0.04 0.00 -0.60 0.00 0.00 56.93 56.21 1x5f s PHE 55 Cb -0.16 -2.44 -0.03 0.00 0.51 0.00 0.00 43.02 40.90 1x5f s PHE 55 CO -0.07 -0.32 -0.15 1.52 0.70 0.00 0.00 175.22 176.90 1x5f s TYR 56 N 1.72 2.67 -0.22 0.36 1.13 -0.91 -0.04 117.35 122.06 1x5f s TYR 56 Ca 0.06 -0.18 -0.27 0.00 -1.41 0.00 0.00 57.07 55.28 1x5f s TYR 56 Cb -0.17 -1.59 0.08 0.00 -1.10 0.00 0.00 41.96 39.18 1x5f s TYR 56 CO 0.10 0.20 0.77 -0.08 -2.51 0.00 0.00 175.55 174.04 1x5f s THR 57 N -0.78 0.00 0.41 -3.49 -1.32 -1.03 -2.14 115.64 107.30 1x5f s THR 57 Ca 0.12 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.34 1x5f s THR 57 Cb -0.11 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.79 1x5f s THR 57 CO 0.02 0.00 1.44 1.17 -2.21 0.00 0.00 174.62 175.04 1x5f n LYS 58 N 2.13 2.42 -0.32 7.08 4.81 -1.26 -0.31 118.16 132.72 1x5f n LYS 58 Ca -0.15 0.86 0.17 0.00 -0.87 0.00 0.00 58.31 58.32 1x5f n LYS 58 Cb 0.56 -2.62 0.37 0.00 0.02 0.00 0.00 35.03 33.35 1x5f n LYS 58 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1x5f h GLU 59 N 2.58 0.38 0.09 1.64 5.08 -1.93 -1.17 114.58 121.26 1x5f h GLU 59 Ca -0.50 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 57.66 1x5f h GLU 59 Cb 1.26 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 30.44 1x5f h GLU 59 CO 0.62 0.25 -0.73 0.78 -1.00 0.00 0.00 179.01 178.94 1x5f h GLY 60 N 0.39 0.38 -2.88 -3.84 0.00 -1.91 -3.46 103.07 91.75 1x5f h GLY 60 Ca 0.63 -0.84 -0.50 0.00 0.00 0.00 0.00 47.33 46.62 1x5f h GLY 60 CO -0.56 0.74 0.46 -0.42 0.00 0.00 0.00 176.54 176.76 1x5f s ILE 61 N -2.70 3.39 -0.11 2.60 -1.09 -0.44 -4.96 121.20 117.89 1x5f s ILE 61 Ca -0.13 1.09 0.20 0.00 -2.23 0.00 0.00 60.65 59.58 1x5f s ILE 61 Cb 0.02 -3.58 -0.24 0.00 -1.58 0.00 0.00 42.46 37.07 1x5f s ILE 61 CO 0.83 0.04 0.49 0.00 -1.23 0.00 0.00 174.94 175.06 1x5f n ALA 62 N -0.11 2.24 -2.25 9.38 0.00 -1.26 -4.18 120.51 124.33 1x5f n ALA 62 Ca 0.05 -0.73 -0.42 0.00 0.00 0.00 0.00 53.44 52.35 1x5f n ALA 62 Cb 0.48 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 1x5f n ALA 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1x5f s ARG 63 N -3.10 4.34 0.05 0.00 3.52 -1.26 -5.02 118.95 117.48 1x5f s ARG 63 Ca -0.07 1.96 0.05 0.00 -0.13 0.00 0.00 55.73 57.54 1x5f s ARG 63 Cb 0.10 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 30.09 1x5f s ARG 63 CO 0.86 -0.44 -0.14 -1.83 -0.81 0.00 0.00 175.30 172.95 1x5f s GLU 64 N 1.50 0.85 -0.02 5.12 -1.05 -1.26 -4.52 118.70 119.32 1x5f s GLU 64 Ca 0.63 -0.82 0.02 0.00 -0.15 0.00 0.00 54.97 54.65 1x5f s GLU 64 Cb -0.33 -0.84 -0.03 0.00 -0.44 0.00 0.00 34.13 32.48 1x5f s GLU 64 CO 0.29 0.20 -0.05 1.03 0.95 0.00 0.00 175.26 177.68 1x5f s ARG 65 N -1.37 2.67 -0.05 -4.83 0.52 -0.91 -4.88 118.95 110.11 1x5f s ARG 65 Ca -0.00 -0.64 -0.10 0.00 -0.52 0.00 0.00 55.73 54.47 1x5f s ARG 65 Cb -0.09 -2.57 -0.05 0.00 0.52 0.00 0.00 34.95 32.76 1x5f s ARG 65 CO 0.02 0.63 0.26 0.54 0.02 0.00 0.00 175.30 176.77 1x5f s VAL 66 N -0.96 5.30 -0.25 3.52 0.11 -1.26 -2.15 120.40 124.72 1x5f s VAL 66 Ca 0.16 0.43 -0.00 0.00 -2.93 0.00 0.00 61.98 59.64 1x5f s VAL 66 Cb -0.11 -3.54 0.07 0.00 -1.53 0.00 0.00 36.38 31.27 1x5f s VAL 66 CO 0.06 0.56 0.00 -0.70 -3.33 0.00 0.00 175.10 171.69 1x5f s GLU 67 N -1.18 1.22 -0.03 1.54 2.56 -0.60 -4.91 118.70 117.30 1x5f s GLU 67 Ca 0.20 -0.93 -0.30 0.00 0.00 0.00 0.00 54.97 53.94 1x5f s GLU 67 Cb -0.14 -2.42 -0.04 0.00 2.00 0.00 0.00 34.13 33.54 1x5f s GLU 67 CO 0.10 -0.70 1.18 -0.80 -0.56 0.00 0.00 175.26 174.48 1x5f s ASN 68 N 1.51 7.08 0.06 -1.70 -0.87 -1.26 -2.80 114.94 116.96 1x5f s ASN 68 Ca -0.01 1.85 -0.35 0.00 -1.57 0.00 0.00 52.86 52.79 1x5f s ASN 68 Cb -0.18 -2.56 -0.14 0.00 -0.02 0.00 0.00 41.25 38.35 1x5f s ASN 68 CO -0.10 -0.53 1.64 0.35 -2.57 0.00 0.00 177.10 175.88 1x5f n THR 69 N 4.41 0.17 -0.39 1.60 -2.24 -1.15 -4.77 114.28 111.91 1x5f n THR 69 Ca 0.10 -0.03 0.32 0.00 -2.27 0.00 0.00 64.05 62.17 1x5f n THR 69 Cb 0.47 -1.52 0.54 0.00 -2.10 0.00 0.00 70.33 67.71 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 4.26 0.14 -4.07 3.42 2.88 -1.26 -4.18 113.62 114.82 1x5f n SER 70 Ca 0.19 1.03 -0.16 0.00 -1.33 0.00 0.00 58.87 58.60 1x5f n SER 70 Cb 0.27 -0.51 -0.13 0.00 -0.75 0.00 0.00 64.21 63.10 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 -4.81 0.82 0.04 0.66 3.76 -1.26 -5.13 115.29 109.38 1x5f s HIS 71 Ca -0.05 -0.34 -0.31 0.00 -0.15 0.00 0.00 55.06 54.21 1x5f s HIS 71 Cb 0.23 -0.50 -0.06 0.00 1.11 0.00 0.00 32.58 33.36 1x5f s HIS 71 CO 0.64 -0.02 1.42 -1.25 -0.85 0.00 0.00 174.74 174.67 1x5f s PRO 72 N -1.05 4.29 0.00 8.40 0.04 -1.26 -2.87 135.00 142.56 1x5f s PRO 72 Ca -0.03 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1x5f s PRO 72 Cb -0.07 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1x5f s PRO 72 CO 0.01 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.91 1x5f n GLY 73 N 3.62 2.65 3.73 0.56 0.00 -1.15 -4.86 105.19 109.75 1x5f n GLY 73 Ca 0.13 0.00 -0.67 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.67 0.10 -0.11 1.61 2.13 -1.14 -4.78 120.64 117.79 1x5f n GLU 74 Ca 0.00 0.04 0.03 0.00 0.66 0.00 0.00 57.16 57.88 1x5f n GLU 74 Cb 0.00 -1.56 0.08 0.00 0.27 0.00 0.00 31.44 30.23 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 4.26 1.47 -3.54 5.31 2.81 -1.26 -4.81 117.12 121.37 1x5f n MET 75 Ca 0.32 -0.63 -0.17 0.00 -1.81 0.00 0.00 57.70 55.40 1x5f n MET 75 Cb -0.04 -1.22 -0.06 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.72 1.02 0.19 0.03 0.00 -1.26 -0.97 119.66 116.95 1x5f s GLN 76 Ca 0.12 0.36 -0.10 0.00 -0.00 0.00 0.00 55.36 55.73 1x5f s GLN 76 Cb 0.07 0.48 -0.01 0.00 0.00 0.00 0.00 33.01 33.55 1x5f s GLN 76 CO 0.07 -0.29 0.35 0.54 0.00 0.00 0.00 175.29 175.96 1x5f s VAL 77 N -0.96 0.04 -0.05 3.63 0.11 -1.04 -4.97 120.40 117.15 1x5f s VAL 77 Ca -0.09 -1.36 0.06 0.00 -2.93 0.00 0.00 61.98 57.65 1x5f s VAL 77 Cb -0.01 -1.94 -0.02 0.00 -1.53 0.00 0.00 36.38 32.89 1x5f s VAL 77 CO 0.09 -0.18 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.56 1x5f s THR 78 N -3.98 2.31 -0.51 5.04 2.01 -1.26 -0.37 115.64 118.88 1x5f s THR 78 Ca 0.19 -0.98 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 1x5f s THR 78 Cb 0.02 -1.85 0.13 0.00 0.01 0.00 0.00 72.50 70.81 1x5f s THR 78 CO 0.03 0.57 0.30 -0.63 -0.69 0.00 0.00 174.62 174.20 1x5f s ILE 79 N -0.32 3.36 0.80 1.82 -1.09 -0.89 -4.97 121.20 119.92 1x5f s ILE 79 Ca 0.02 -2.58 -0.06 0.00 -2.23 0.00 0.00 60.65 55.80 1x5f s ILE 79 Cb -0.13 -3.26 0.15 0.00 -1.58 0.00 0.00 42.46 37.64 1x5f s ILE 79 CO 0.02 -0.78 1.11 -1.10 -1.23 0.00 0.00 174.94 172.96 1x5f s GLN 80 N 0.48 1.34 -0.66 2.79 -0.21 -1.26 -2.23 119.66 119.90 1x5f s GLN 80 Ca 0.13 -0.86 -0.02 0.00 0.02 0.00 0.00 55.36 54.63 1x5f s GLN 80 Cb -0.22 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.63 1x5f s GLN 80 CO -0.04 -1.77 0.57 0.09 -2.12 0.00 0.00 175.29 172.02 1x5f n ASN 81 N -3.15 -2.93 -4.55 5.90 4.13 -0.97 -4.92 115.26 108.77 1x5f n ASN 81 Ca 0.15 -0.31 -0.25 0.00 1.68 0.00 0.00 54.58 55.85 1x5f n ASN 81 Cb 0.60 -2.92 -0.10 0.00 -1.54 0.00 0.00 39.78 35.82 1x5f n ASN 81 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1x5f s LEU 82 N -4.31 2.77 -0.14 3.41 1.43 -0.37 -5.03 118.68 116.44 1x5f s LEU 82 Ca 0.12 -1.10 -0.08 0.00 -1.03 0.00 0.00 54.13 52.05 1x5f s LEU 82 Cb -0.05 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 1x5f s LEU 82 CO 0.38 -0.15 0.13 -0.32 0.23 0.00 0.00 176.35 176.63 1x5f s MET 83 N -3.61 3.65 0.48 1.70 -2.45 -1.26 -4.47 119.30 113.34 1x5f s MET 83 Ca 0.32 -0.16 -0.22 0.00 -1.25 0.00 0.00 55.69 54.38 1x5f s MET 83 Cb -0.00 -3.25 -0.07 0.00 1.25 0.00 0.00 34.83 32.76 1x5f s MET 83 CO 0.17 0.63 1.16 -1.25 1.05 0.00 0.00 175.02 176.78 1x5f s PRO 84 N -0.61 3.67 -1.38 4.11 0.04 -0.97 -3.43 135.00 136.42 1x5f s PRO 84 Ca 0.13 1.74 -0.07 0.00 0.04 0.00 0.00 61.00 62.83 1x5f s PRO 84 Cb -0.12 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.11 1x5f s PRO 84 CO 0.02 -0.62 0.98 0.00 0.04 0.00 0.00 177.00 177.43 1x5f n ALA 85 N -0.67 -1.17 -3.72 8.56 0.00 -1.21 -4.83 120.51 117.48 1x5f n ALA 85 Ca 0.08 0.36 -0.18 0.00 0.00 0.00 0.00 53.44 53.70 1x5f n ALA 85 Cb 0.49 -4.91 -0.17 0.00 0.00 0.00 0.00 19.45 14.85 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 -3.27 0.08 0.51 0.00 2.01 -1.22 -4.92 115.64 108.84 1x5f s THR 86 Ca 0.49 0.21 -0.21 0.00 0.31 0.00 0.00 61.69 62.49 1x5f s THR 86 Cb -0.21 -0.24 -0.06 0.00 0.01 0.00 0.00 72.50 71.99 1x5f s THR 86 CO 0.60 0.16 1.15 -0.69 -0.69 0.00 0.00 174.62 175.15 1x5f s VAL 87 N 1.49 3.12 -0.12 3.82 1.01 -1.26 -3.30 120.40 125.16 1x5f s VAL 87 Ca -0.03 0.76 -0.06 0.00 0.00 0.00 0.00 61.98 62.65 1x5f s VAL 87 Cb -0.13 -3.34 0.05 0.00 0.00 0.00 0.00 36.38 32.96 1x5f s VAL 87 CO -0.03 -0.09 0.28 -0.31 0.00 0.00 0.00 175.10 174.95 1x5f s TYR 88 N -1.66 -0.39 -0.52 5.22 2.02 0.98 -3.82 117.35 119.17 1x5f s TYR 88 Ca 0.69 0.90 -0.23 0.00 -0.37 0.00 0.00 57.07 58.06 1x5f s TYR 88 Cb -0.26 0.07 0.04 0.00 -0.40 0.00 0.00 41.96 41.41 1x5f s TYR 88 CO 0.31 -0.27 0.84 0.42 -1.57 0.00 0.00 175.55 175.28 1x5f s ILE 89 N 1.46 4.55 -0.04 2.71 -1.09 0.58 -2.08 121.20 127.28 1x5f s ILE 89 Ca -0.08 0.16 -0.14 0.00 -2.23 0.00 0.00 60.65 58.36 1x5f s ILE 89 Cb -0.10 -4.44 -0.05 0.00 -1.58 0.00 0.00 42.46 36.29 1x5f s ILE 89 CO -0.09 -0.96 0.38 -0.36 -1.23 0.00 0.00 174.94 172.68 1x5f s PHE 90 N 3.53 3.67 -0.11 3.97 0.40 -0.42 -2.45 117.98 126.57 1x5f s PHE 90 Ca 0.27 0.91 -0.00 0.00 -0.60 0.00 0.00 56.93 57.51 1x5f s PHE 90 Cb -0.14 -2.30 0.02 0.00 0.51 0.00 0.00 43.02 41.12 1x5f s PHE 90 CO 0.19 0.56 -0.07 1.03 0.70 0.00 0.00 175.22 177.62 1x5f s ARG 91 N -0.74 1.47 -0.00 0.44 1.81 0.94 -0.66 118.95 122.21 1x5f s ARG 91 Ca 0.23 -0.24 -0.05 0.00 -1.72 0.00 0.00 55.73 53.94 1x5f s ARG 91 Cb -0.16 -1.52 -0.04 0.00 -0.45 0.00 0.00 34.95 32.78 1x5f s ARG 91 CO 0.11 -0.24 0.23 0.08 -0.68 0.00 0.00 175.30 174.81 1x5f s VAL 92 N 1.62 5.36 -0.11 3.52 1.01 -1.26 -0.20 120.40 130.34 1x5f s VAL 92 Ca 0.03 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 1x5f s VAL 92 Cb -0.13 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.74 1x5f s VAL 92 CO -0.07 0.37 0.40 -0.32 0.00 0.00 0.00 175.10 175.48 1x5f s MET 93 N -1.78 0.57 0.25 2.72 1.75 -0.44 0.58 119.30 122.96 1x5f s MET 93 Ca 0.27 0.35 -0.04 0.00 -1.25 0.00 0.00 55.69 55.01 1x5f s MET 93 Cb -0.13 0.27 -0.05 0.00 2.84 0.00 0.00 34.83 37.76 1x5f s MET 93 CO 0.16 -0.11 0.50 0.00 -0.65 0.00 0.00 175.02 174.92 1x5f s ALA 94 N -0.29 3.68 -0.07 4.11 0.00 -1.26 0.07 121.76 128.00 1x5f s ALA 94 Ca -0.04 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 1x5f s ALA 94 Cb -0.03 -2.23 0.04 0.00 0.00 0.00 0.00 23.12 20.89 1x5f s ALA 94 CO 0.02 0.35 0.14 -0.65 0.00 0.00 0.00 175.76 175.63 1x5f s GLN 95 N -3.34 0.08 0.23 0.00 -0.21 0.30 -3.11 119.66 113.60 1x5f s GLN 95 Ca 0.43 0.40 0.00 0.00 0.02 0.00 0.00 55.36 56.21 1x5f s GLN 95 Cb -0.11 -0.20 -0.00 0.00 1.00 0.00 0.00 33.01 33.70 1x5f s GLN 95 CO 0.28 -0.19 0.01 0.27 -2.12 0.00 0.00 175.29 173.55 1x5f n ASN 96 N 4.40 2.34 0.24 5.90 0.23 -1.04 0.85 115.26 128.18 1x5f n ASN 96 Ca -0.23 -2.04 0.10 0.00 -0.53 0.00 0.00 54.58 51.88 1x5f n ASN 96 Cb 0.51 0.23 0.38 0.00 -2.08 0.00 0.00 39.78 38.82 1x5f n ASN 96 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1x5f h LYS 97 N 0.00 0.00 0.00 -3.83 2.10 -2.01 -1.67 116.57 111.15 1x5f h LYS 97 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1x5f h LYS 97 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1x5f h LYS 97 CO 0.31 0.00 -0.01 0.45 -2.00 0.00 0.00 179.45 178.20 1x5f h HIS 98 N 0.00 0.00 0.00 0.07 3.86 -1.92 -3.50 115.15 113.65 1x5f h HIS 98 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1x5f h HIS 98 Cb 1.62 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.09 1x5f h HIS 98 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1x5f n GLY 99 N 1.94 -0.69 3.59 2.45 0.00 -0.63 -4.76 105.19 107.10 1x5f n GLY 99 Ca -0.00 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1x5f n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5f s SER 100 N -4.00 6.39 0.00 1.61 1.04 -1.26 -2.51 113.70 114.97 1x5f s SER 100 Ca 0.00 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1x5f s SER 100 Cb 0.00 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.84 1x5f s SER 100 CO 0.00 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1x5f n GLY 101 N 4.56 1.26 3.89 7.32 0.00 -1.18 -4.97 105.19 116.07 1x5f n GLY 101 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 0.07 3.42 -0.27 1.61 2.56 -1.25 -4.99 118.70 119.86 1x5f s GLU 102 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 54.97 54.46 1x5f s GLU 102 Cb 0.00 -3.10 -0.01 0.00 2.00 0.00 0.00 34.13 33.02 1x5f s GLU 102 CO 0.00 0.69 0.64 -1.54 -0.56 0.00 0.00 175.26 174.49 1x5f s SER 103 N -1.79 6.56 0.98 -1.70 1.04 -1.26 -2.97 113.70 114.56 1x5f s SER 103 Ca 0.25 0.63 -0.14 0.00 0.48 0.00 0.00 55.95 57.17 1x5f s SER 103 Cb -0.12 -2.34 0.13 0.00 0.10 0.00 0.00 66.02 63.78 1x5f s SER 103 CO 0.16 -0.42 0.14 -1.54 0.98 0.00 0.00 173.24 172.56 1x5f n SER 104 N 5.80 -2.85 -4.79 7.02 3.41 0.20 -4.90 113.62 117.51 1x5f n SER 104 Ca -0.00 -0.30 -0.36 0.00 -0.26 0.00 0.00 58.87 57.95 1x5f n SER 104 Cb 0.49 -0.75 -0.04 0.00 -0.26 0.00 0.00 64.21 63.65 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 -2.08 3.01 -0.37 7.33 0.00 -1.26 -4.65 121.76 123.73 1x5f s ALA 105 Ca 0.35 0.68 -0.28 0.00 0.00 0.00 0.00 51.96 52.71 1x5f s ALA 105 Cb -0.05 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1x5f s ALA 105 CO 0.36 -0.27 1.72 -1.25 0.00 0.00 0.00 175.76 176.32 1x5f s PRO 106 N -2.75 3.34 -0.23 0.00 0.04 -1.26 -4.60 135.00 129.54 1x5f s PRO 106 Ca 0.61 1.26 -0.23 0.00 0.04 0.00 0.00 61.00 62.68 1x5f s PRO 106 Cb -0.20 -4.17 -0.01 0.00 0.04 0.00 0.00 34.50 30.15 1x5f s PRO 106 CO 0.25 -1.85 0.77 -1.17 0.04 0.00 0.00 177.00 175.04 1x5f s LEU 107 N 6.71 4.10 -0.53 -3.56 2.96 0.16 -4.87 118.68 123.66 1x5f s LEU 107 Ca 0.75 0.98 -0.24 0.00 -0.22 0.00 0.00 54.13 55.39 1x5f s LEU 107 Cb -0.20 -3.10 0.04 0.00 0.50 0.00 0.00 46.19 43.43 1x5f s LEU 107 CO 0.32 -0.45 0.92 -0.60 -1.32 0.00 0.00 176.35 175.22 1x5f s ARG 108 N 2.59 3.35 0.15 1.98 3.52 -1.26 -1.30 118.95 127.98 1x5f s ARG 108 Ca 0.33 -0.22 0.09 0.00 -0.13 0.00 0.00 55.73 55.80 1x5f s ARG 108 Cb -0.16 -4.03 -0.04 0.00 -1.56 0.00 0.00 34.95 29.16 1x5f s ARG 108 CO 0.09 -1.42 -0.16 0.08 -0.81 0.00 0.00 175.30 173.07 1x5f s VAL 109 N 3.83 2.86 -0.06 7.11 1.01 -0.89 -4.97 120.40 129.30 1x5f s VAL 109 Ca 0.31 -1.65 -0.00 0.00 0.00 0.00 0.00 61.98 60.63 1x5f s VAL 109 Cb -0.12 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.92 1x5f s VAL 109 CO 0.20 -0.01 -0.03 -0.70 0.00 0.00 0.00 175.10 174.57 1x5f s GLU 110 N -2.46 0.79 1.17 2.72 2.12 -1.26 -0.02 118.70 121.76 1x5f s GLU 110 Ca 0.21 -0.02 -0.18 0.00 0.36 0.00 0.00 54.97 55.33 1x5f s GLU 110 Cb -0.09 -0.95 0.27 0.00 0.26 0.00 0.00 34.13 33.61 1x5f s GLU 110 CO 0.12 -0.19 1.12 0.95 -0.54 0.00 0.00 175.26 176.72 1x5f s THR 111 N 1.43 1.66 -0.04 -1.70 -4.23 -1.21 -4.93 115.64 106.62 1x5f s THR 111 Ca -0.03 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.47 1x5f s THR 111 Cb -0.13 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 1x5f s THR 111 CO -0.03 0.00 0.05 -1.10 -0.54 0.00 0.00 174.62 173.00 1x5f s GLN 112 N -5.40 3.05 -0.53 3.99 -1.52 -1.26 -3.69 119.66 114.30 1x5f s GLN 112 Ca 0.71 -0.43 -0.27 0.00 -1.95 0.00 0.00 55.36 53.41 1x5f s GLN 112 Cb -0.10 -2.85 -0.02 0.00 -0.22 0.00 0.00 33.01 29.82 1x5f s GLN 112 CO 0.56 0.68 1.82 -1.25 -0.25 0.00 0.00 175.29 176.84 1x5f s PRO 113 N -1.36 2.86 0.14 2.91 0.04 -1.26 -3.28 135.00 135.05 1x5f s PRO 113 Ca 0.18 0.84 -0.32 0.00 0.04 0.00 0.00 61.00 61.74 1x5f s PRO 113 Cb -0.12 -4.32 -0.09 0.00 0.04 0.00 0.00 34.50 30.02 1x5f s PRO 113 CO 0.09 -2.44 1.55 0.93 0.04 0.00 0.00 177.00 177.17 1x5f h GLU 114 N 14.18 -0.31 -3.93 4.56 5.08 -1.91 -3.44 114.58 128.81 1x5f h GLU 114 Ca -0.28 0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 57.98 1x5f h GLU 114 Cb 1.16 0.07 -0.17 0.00 0.50 0.00 0.00 28.75 30.31 1x5f h GLU 114 CO 1.16 -0.21 -0.56 0.45 -1.00 0.00 0.00 179.01 178.86 1x5f s SER 115 N -5.13 0.25 0.00 1.42 0.15 -1.26 -5.07 113.70 104.06 1x5f s SER 115 Ca -0.14 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1x5f s SER 115 Cb 0.09 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1x5f s SER 115 CO 0.62 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1x5f n GLY 116 N 0.55 -0.29 0.00 9.45 0.00 -1.26 -4.91 105.19 108.73 1x5f n GLY 116 Ca -0.18 -1.16 0.08 0.00 0.00 0.00 0.00 46.02 44.76 1x5f n GLY 116 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5f n PRO 117 N 0.00 0.44 -1.41 1.61 -0.04 -1.26 -3.14 135.00 131.21 1x5f n PRO 117 Ca 0.00 0.02 -0.39 0.00 -0.04 0.00 0.00 63.50 63.10 1x5f n PRO 117 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1x5f n PRO 117 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x5f n SER 118 N -1.05 5.64 -4.11 3.54 3.41 -1.26 -4.48 113.62 115.32 1x5f n SER 118 Ca 0.11 -2.67 -0.32 0.00 -0.26 0.00 0.00 58.87 55.73 1x5f n SER 118 Cb 0.06 -1.50 -0.02 0.00 -0.26 0.00 0.00 64.21 62.49 1x5f n SER 118 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x5f n SER 119 N 5.13 -2.26 0.00 4.04 2.88 -1.26 -5.08 113.62 117.06 1x5f n SER 119 Ca 0.61 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 1x5f n SER 119 Cb 0.31 -2.93 0.00 0.00 -0.75 0.00 0.00 64.21 60.84 1x5f n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42