#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 -0.04 0.14 1.61 0.15 -1.26 -5.19 113.70 109.11 1x5f s SER 2 Ca 0.00 -0.31 -0.03 0.00 0.70 0.00 0.00 55.95 56.31 1x5f s SER 2 Cb 0.00 0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.55 1x5f s SER 2 CO 0.00 -0.53 0.11 -0.44 1.20 0.00 0.00 173.24 173.58 1x5f s SER 3 N -3.31 0.24 0.00 5.45 0.01 -1.26 -5.16 113.70 109.67 1x5f s SER 3 Ca 0.20 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1x5f s SER 3 Cb 0.01 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1x5f s SER 3 CO -0.00 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.49 1x5f n GLY 4 N -0.13 1.51 3.26 3.44 0.00 -1.26 -5.14 105.19 106.88 1x5f n GLY 4 Ca -0.06 0.39 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 1x5f n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5f s SER 5 N 0.00 4.45 -0.28 1.61 0.15 -1.26 -5.07 113.70 113.29 1x5f s SER 5 Ca 0.00 -0.67 -0.18 0.00 0.70 0.00 0.00 55.95 55.80 1x5f s SER 5 Cb 0.00 -1.73 0.11 0.00 -1.71 0.00 0.00 66.02 62.69 1x5f s SER 5 CO 0.00 -0.10 0.84 -0.94 1.20 0.00 0.00 173.24 174.23 1x5f s SER 6 N 1.41 -0.71 -0.29 5.45 1.04 -1.26 -5.16 113.70 114.18 1x5f s SER 6 Ca 0.03 1.18 -0.14 0.00 0.48 0.00 0.00 55.95 57.50 1x5f s SER 6 Cb -0.16 1.27 0.12 0.00 0.10 0.00 0.00 66.02 67.36 1x5f s SER 6 CO -0.03 -0.19 0.77 -0.83 0.98 0.00 0.00 173.24 173.94 1x5f s GLY 7 N 1.25 -0.50 0.25 7.32 0.00 -1.26 -5.17 107.32 109.21 1x5f s GLY 7 Ca -0.07 2.62 0.06 0.00 0.00 0.00 0.00 44.72 47.32 1x5f s GLY 7 CO -0.14 2.80 0.34 1.85 0.00 0.00 0.00 173.10 177.95 1x5f s GLU 8 N 2.16 3.32 0.16 2.90 2.56 -1.26 -5.13 118.70 123.41 1x5f s GLU 8 Ca -0.07 -0.84 0.11 0.00 0.00 0.00 0.00 54.97 54.17 1x5f s GLU 8 Cb -0.07 -2.82 -0.04 0.00 2.00 0.00 0.00 34.13 33.19 1x5f s GLU 8 CO -0.18 0.39 -0.25 -1.01 -0.56 0.00 0.00 175.26 173.64 1x5f s HIS 9 N -2.03 2.29 -0.75 5.30 3.76 -1.26 -5.09 115.29 117.51 1x5f s HIS 9 Ca 0.35 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.89 1x5f s HIS 9 Cb -0.09 -1.19 0.18 0.00 1.11 0.00 0.00 32.58 32.59 1x5f s HIS 9 CO 0.28 0.41 0.58 0.00 -0.85 0.00 0.00 174.74 175.16 1x5f s ALA 10 N -1.34 3.90 -2.00 -1.40 0.00 -1.26 -4.90 121.76 114.75 1x5f s ALA 10 Ca 0.17 -3.65 0.12 0.00 0.00 0.00 0.00 51.96 48.60 1x5f s ALA 10 Cb -0.09 -2.57 0.74 0.00 0.00 0.00 0.00 23.12 21.20 1x5f s ALA 10 CO 0.08 -2.12 1.17 -0.35 0.00 0.00 0.00 175.76 174.54 1x5f n PRO 11 N 2.59 0.49 -2.47 0.00 -0.04 -1.26 -4.76 135.00 129.55 1x5f n PRO 11 Ca 0.16 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.39 1x5f n PRO 11 Cb 0.36 -1.40 0.05 0.00 -0.04 0.00 0.00 33.50 32.47 1x5f n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5f s ALA 12 N -2.00 3.59 -1.40 0.55 0.00 -1.26 -4.43 121.76 116.81 1x5f s ALA 12 Ca 0.19 -1.14 -0.13 0.00 0.00 0.00 0.00 51.96 50.87 1x5f s ALA 12 Cb 0.09 -2.30 0.02 0.00 0.00 0.00 0.00 23.12 20.92 1x5f s ALA 12 CO 0.14 -0.96 0.31 2.41 0.00 0.00 0.00 175.76 177.67 1x5f n THR 13 N -2.57 -1.98 -4.06 0.00 -1.04 -1.26 -4.92 114.28 98.45 1x5f n THR 13 Ca 0.08 -0.55 -0.35 0.00 -2.04 0.00 0.00 64.05 61.19 1x5f n THR 13 Cb 0.60 -1.74 -0.09 0.00 -1.82 0.00 0.00 70.33 67.28 1x5f n THR 13 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1x5f s THR 14 N -4.01 4.75 0.00 12.58 2.01 -1.26 -5.04 115.64 124.67 1x5f s THR 14 Ca 0.20 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.14 1x5f s THR 14 Cb -0.10 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.29 1x5f s THR 14 CO 0.98 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 176.01 1x5f n GLY 15 N 3.23 5.11 3.77 4.40 0.00 -1.26 -5.12 105.19 115.32 1x5f n GLY 15 Ca -0.17 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.79 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 2.84 3.30 0.12 1.61 0.04 -1.26 -5.05 135.00 136.60 1x5f s PRO 16 Ca 0.00 1.59 0.03 0.00 0.04 0.00 0.00 61.00 62.66 1x5f s PRO 16 Cb 0.00 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1x5f s PRO 16 CO 0.00 -0.88 0.14 -0.51 0.04 0.00 0.00 177.00 175.79 1x5f s LEU 17 N -3.91 3.94 0.00 -3.56 1.43 -1.26 -4.98 118.68 110.34 1x5f s LEU 17 Ca 0.72 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1x5f s LEU 17 Cb -0.23 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.42 1x5f s LEU 17 CO 0.28 0.11 0.00 -0.81 0.23 0.00 0.00 176.35 176.17 1x5f n PRO 18 N -0.02 -0.60 -4.52 1.29 -0.04 -1.26 -4.93 135.00 124.92 1x5f n PRO 18 Ca -0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.17 1x5f n PRO 18 Cb 0.53 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.85 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 1.58 0.61 3.54 0.15 -1.26 -3.60 113.70 113.21 1x5f s SER 19 Ca 0.00 -0.31 -0.18 0.00 0.70 0.00 0.00 55.95 56.17 1x5f s SER 19 Cb 0.00 -0.15 -0.08 0.00 -1.71 0.00 0.00 66.02 64.08 1x5f s SER 19 CO 0.00 0.12 0.49 0.00 1.20 0.00 0.00 173.24 175.05 1x5f n ALA 20 N 2.48 -1.34 -1.18 5.45 0.00 -0.93 -4.65 120.51 120.34 1x5f n ALA 20 Ca -0.15 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 52.91 1x5f n ALA 20 Cb 0.55 -1.81 0.16 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.22 0.74 0.30 0.00 0.04 -1.26 -4.56 135.00 128.04 1x5f s PRO 21 Ca 0.67 0.64 0.01 0.00 0.04 0.00 0.00 61.00 62.36 1x5f s PRO 21 Cb -0.42 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1x5f s PRO 21 CO 0.56 -2.55 0.07 0.54 0.04 0.00 0.00 177.00 175.66 1x5f n ARG 22 N -4.07 1.20 -4.00 4.56 1.74 -1.24 -4.75 116.66 110.10 1x5f n ARG 22 Ca 0.06 -2.10 -0.32 0.00 -0.77 0.00 0.00 57.85 54.71 1x5f n ARG 22 Cb 0.56 0.46 0.00 0.00 -1.02 0.00 0.00 32.46 32.47 1x5f n ARG 22 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1x5f n ASP 23 N -1.41 -4.14 -4.63 0.55 9.92 -1.26 -0.84 116.55 114.74 1x5f n ASP 23 Ca -0.09 -0.84 -0.43 0.00 -0.53 0.00 0.00 54.79 52.90 1x5f n ASP 23 Cb 0.37 -3.34 -0.02 0.00 -0.64 0.00 0.00 41.12 37.48 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 -3.26 3.92 0.31 2.53 1.01 -1.26 -4.01 120.40 119.64 1x5f s VAL 24 Ca 0.68 1.03 -0.07 0.00 0.00 0.00 0.00 61.98 63.62 1x5f s VAL 24 Cb -0.36 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1x5f s VAL 24 CO 0.84 -0.40 0.49 0.68 0.00 0.00 0.00 175.10 176.71 1x5f s VAL 25 N 4.83 0.00 -0.41 2.92 -7.23 0.28 -5.01 120.40 115.78 1x5f s VAL 25 Ca 0.64 -1.50 -0.07 0.00 -1.81 0.00 0.00 61.98 59.24 1x5f s VAL 25 Cb -0.20 -2.51 0.08 0.00 0.56 0.00 0.00 36.38 34.31 1x5f s VAL 25 CO 0.26 0.00 0.22 0.00 -0.31 0.00 0.00 175.10 175.28 1x5f s ALA 26 N -3.36 3.21 0.55 1.32 0.00 -1.26 0.29 121.76 122.51 1x5f s ALA 26 Ca 0.27 -2.21 0.25 0.00 0.00 0.00 0.00 51.96 50.26 1x5f s ALA 26 Cb -0.01 -2.53 1.47 0.00 0.00 0.00 0.00 23.12 22.05 1x5f s ALA 26 CO 0.15 -1.66 2.07 1.03 0.00 0.00 0.00 175.76 177.35 1x5f h SER 27 N 8.29 0.00 -5.00 0.00 0.87 -1.02 -3.43 113.55 113.26 1x5f h SER 27 Ca -0.20 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.29 1x5f h SER 27 Cb 1.07 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.85 1x5f h SER 27 CO 0.73 0.00 0.16 -0.22 -0.53 0.00 0.00 176.83 176.96 1x5f s LEU 28 N -8.37 -0.54 -0.32 2.23 0.20 -1.01 -4.98 118.68 105.89 1x5f s LEU 28 Ca -0.05 0.63 0.02 0.00 0.69 0.00 0.00 54.13 55.42 1x5f s LEU 28 Cb 0.17 2.45 0.10 0.00 -0.43 0.00 0.00 46.19 48.47 1x5f s LEU 28 CO 0.65 -0.62 0.06 -0.69 -0.29 0.00 0.00 176.35 175.46 1x5f s VAL 29 N -1.34 1.57 0.54 1.68 1.01 -1.26 0.11 120.40 122.71 1x5f s VAL 29 Ca -0.11 -1.80 -0.04 0.00 0.00 0.00 0.00 61.98 60.03 1x5f s VAL 29 Cb -0.00 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 1x5f s VAL 29 CO 0.08 -0.58 0.82 -0.55 0.00 0.00 0.00 175.10 174.88 1x5f s SER 30 N 1.27 5.74 0.43 3.32 0.15 0.22 -4.59 113.70 120.25 1x5f s SER 30 Ca 0.09 0.63 0.24 0.00 0.70 0.00 0.00 55.95 57.60 1x5f s SER 30 Cb -0.18 -1.73 0.66 0.00 -1.71 0.00 0.00 66.02 63.06 1x5f s SER 30 CO -0.15 -0.91 1.71 0.71 1.20 0.00 0.00 173.24 175.80 1x5f h THR 31 N 0.03 0.31 -0.00 6.45 1.35 -1.96 -3.22 112.91 115.86 1x5f h THR 31 Ca -0.46 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1x5f h THR 31 Cb 1.25 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 1x5f h THR 31 CO 0.60 0.15 -0.05 0.54 -0.25 0.00 0.00 175.52 176.51 1x5f n ARG 32 N -3.20 1.83 -3.79 4.72 1.74 -1.26 -2.60 116.66 114.10 1x5f n ARG 32 Ca 0.02 -0.45 -0.08 0.00 -0.77 0.00 0.00 57.85 56.56 1x5f n ARG 32 Cb 0.50 -0.91 0.03 0.00 -1.02 0.00 0.00 32.46 31.05 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 -0.26 -2.30 -3.68 -1.55 1.16 -1.22 -1.65 117.46 107.96 1x5f n PHE 33 Ca 0.01 -1.82 -0.10 0.00 -1.87 0.00 0.00 57.45 53.67 1x5f n PHE 33 Cb 0.07 0.91 -0.11 0.00 -1.61 0.00 0.00 39.48 38.74 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 -2.09 -0.30 -0.15 1.97 1.01 -0.77 0.69 121.20 121.56 1x5f s ILE 34 Ca 0.17 0.15 -0.26 0.00 0.00 0.00 0.00 60.65 60.70 1x5f s ILE 34 Cb -0.05 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.82 1x5f s ILE 34 CO 0.11 0.06 0.85 -0.75 0.00 0.00 0.00 174.94 175.22 1x5f s LYS 35 N 1.95 4.33 0.20 2.79 2.47 0.30 -2.03 119.74 129.75 1x5f s LYS 35 Ca -0.05 1.08 0.06 0.00 -1.56 0.00 0.00 55.97 55.49 1x5f s LYS 35 Cb -0.10 -3.56 -0.04 0.00 -1.46 0.00 0.00 37.83 32.67 1x5f s LYS 35 CO -0.12 -0.29 0.16 -0.51 0.16 0.00 0.00 175.35 174.75 1x5f s LEU 36 N 2.02 3.80 -0.22 5.43 2.01 0.03 -0.47 118.68 131.27 1x5f s LEU 36 Ca 0.40 -0.18 -0.16 0.00 0.01 0.00 0.00 54.13 54.19 1x5f s LEU 36 Cb -0.17 -2.38 0.06 0.00 0.01 0.00 0.00 46.19 43.71 1x5f s LEU 36 CO 0.14 0.02 0.57 0.42 1.01 0.00 0.00 176.35 178.51 1x5f s THR 37 N -1.91 -0.01 0.20 5.49 -4.23 0.14 -2.56 115.64 112.77 1x5f s THR 37 Ca 0.32 0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 60.74 1x5f s THR 37 Cb -0.09 -0.81 -0.00 0.00 1.34 0.00 0.00 72.50 72.93 1x5f s THR 37 CO 0.24 0.01 0.38 -1.66 -0.54 0.00 0.00 174.62 173.05 1x5f s TRP 38 N 0.96 0.38 0.59 3.99 -2.14 0.02 -0.55 118.94 122.19 1x5f s TRP 38 Ca -0.05 -0.72 0.10 0.00 2.66 0.00 0.00 56.10 58.08 1x5f s TRP 38 Cb -0.05 0.06 0.10 0.00 -3.10 0.00 0.00 33.47 30.48 1x5f s TRP 38 CO -0.09 -0.85 0.80 1.03 -2.66 0.00 0.00 176.95 175.19 1x5f s ARG 39 N -3.99 2.24 0.44 3.25 1.81 -0.02 -4.65 118.95 118.02 1x5f s ARG 39 Ca 0.20 -1.72 -0.23 0.00 -1.72 0.00 0.00 55.73 52.26 1x5f s ARG 39 Cb 0.01 -2.61 -0.08 0.00 -0.45 0.00 0.00 34.95 31.83 1x5f s ARG 39 CO 0.04 -0.93 1.11 0.95 -0.68 0.00 0.00 175.30 175.79 1x5f s THR 40 N -2.71 3.40 0.50 0.02 -4.23 -1.26 -3.59 115.64 107.76 1x5f s THR 40 Ca 0.61 1.04 -0.21 0.00 -1.18 0.00 0.00 61.69 61.95 1x5f s THR 40 Cb -0.05 -3.52 -0.07 0.00 1.34 0.00 0.00 72.50 70.20 1x5f s THR 40 CO 0.39 -0.03 1.15 -2.16 -0.54 0.00 0.00 174.62 173.43 1x5f s PRO 41 N -2.68 3.57 0.39 3.99 0.04 -1.13 -4.29 135.00 134.90 1x5f s PRO 41 Ca 0.62 1.70 0.13 0.00 0.04 0.00 0.00 61.00 63.48 1x5f s PRO 41 Cb -0.25 -2.22 0.95 0.00 0.04 0.00 0.00 34.50 33.02 1x5f s PRO 41 CO 0.31 -0.69 1.89 0.00 0.04 0.00 0.00 177.00 178.55 1x5f h ALA 42 N 1.66 1.99 -0.15 8.56 0.00 -1.83 -1.41 119.26 128.08 1x5f h ALA 42 Ca -0.50 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 1x5f h ALA 42 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1x5f h ALA 42 CO 0.59 -0.22 -0.39 0.66 0.00 0.00 0.00 179.25 179.89 1x5f h SER 43 N 0.54 0.60 -3.65 0.00 4.64 -1.91 -3.40 113.55 110.37 1x5f h SER 43 Ca 0.42 -0.58 -0.69 0.00 -0.47 0.00 0.00 61.79 60.47 1x5f h SER 43 Cb 0.82 -0.17 -0.36 0.00 -0.31 0.00 0.00 62.40 62.38 1x5f h SER 43 CO -0.17 1.07 -0.55 -1.81 -0.87 0.00 0.00 176.83 174.51 1x5f s ASP 44 N -6.55 5.15 0.50 4.97 1.01 -0.54 -4.94 116.67 116.28 1x5f s ASP 44 Ca -0.13 -2.22 0.32 0.00 0.71 0.00 0.00 52.55 51.23 1x5f s ASP 44 Cb 0.06 -1.80 1.34 0.00 1.01 0.00 0.00 42.92 43.53 1x5f s ASP 44 CO 0.81 -0.48 1.95 1.55 0.21 0.00 0.00 175.17 179.21 1x5f h PRO 45 N 7.76 0.00 0.00 8.23 0.13 -1.77 -2.97 132.00 143.38 1x5f h PRO 45 Ca -0.10 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.90 1x5f h PRO 45 Cb 1.02 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 1x5f h PRO 45 CO 0.68 0.00 -1.70 0.72 -0.23 0.00 0.00 178.00 177.47 1x5f n HIS 46 N -2.93 0.00 -3.20 1.56 8.25 -1.26 -4.86 115.22 112.77 1x5f n HIS 46 Ca 0.01 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.23 1x5f n HIS 46 Cb 0.28 -0.46 -0.04 0.00 1.12 0.00 0.00 29.99 30.89 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 2.13 -0.22 0.02 -1.41 0.00 -1.18 -4.68 105.19 99.85 1x5f n GLY 47 Ca -0.13 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.02 0.45 -1.21 1.61 -0.08 -1.26 -3.87 116.55 111.18 1x5f n ASP 48 Ca 0.06 -0.23 0.08 0.00 -1.51 0.00 0.00 54.79 53.19 1x5f n ASP 48 Cb 0.25 1.31 0.29 0.00 2.34 0.00 0.00 41.12 45.31 1x5f n ASP 48 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1x5f n ASN 49 N -2.06 4.11 -3.95 1.67 0.23 -1.26 -4.62 115.26 109.39 1x5f n ASN 49 Ca -0.00 -2.44 -0.13 0.00 -0.53 0.00 0.00 54.58 51.48 1x5f n ASN 49 Cb 0.48 -0.48 -0.13 0.00 -2.08 0.00 0.00 39.78 37.57 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 -1.81 2.09 0.64 -4.53 0.05 -1.26 -4.28 118.68 109.58 1x5f s LEU 50 Ca 0.42 -0.21 -0.03 0.00 0.05 0.00 0.00 54.13 54.37 1x5f s LEU 50 Cb 0.28 -0.10 0.05 0.00 -2.05 0.00 0.00 46.19 44.38 1x5f s LEU 50 CO 0.20 -0.07 0.90 -0.89 -0.55 0.00 0.00 176.35 175.94 1x5f s THR 51 N -0.53 2.45 -0.09 5.48 2.01 0.43 -2.40 115.64 122.99 1x5f s THR 51 Ca -0.04 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1x5f s THR 51 Cb -0.04 -2.97 0.02 0.00 0.01 0.00 0.00 72.50 69.52 1x5f s THR 51 CO -0.00 0.00 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.48 1x5f s TYR 52 N -3.02 1.74 -0.11 4.92 2.02 -1.26 0.52 117.35 122.16 1x5f s TYR 52 Ca 0.59 -0.76 -0.02 0.00 -0.37 0.00 0.00 57.07 56.51 1x5f s TYR 52 Cb -0.10 -1.28 -0.03 0.00 -0.40 0.00 0.00 41.96 40.15 1x5f s TYR 52 CO 0.42 -0.41 -0.02 -1.12 -1.57 0.00 0.00 175.55 172.84 1x5f s SER 53 N 0.95 4.97 -0.18 2.29 0.01 0.54 -2.53 113.70 119.76 1x5f s SER 53 Ca -0.08 0.01 -0.00 0.00 1.31 0.00 0.00 55.95 57.18 1x5f s SER 53 Cb -0.15 -1.54 0.01 0.00 0.21 0.00 0.00 66.02 64.54 1x5f s SER 53 CO -0.00 0.29 -0.16 -0.69 0.41 0.00 0.00 173.24 173.09 1x5f s VAL 54 N -0.35 2.49 -0.27 3.43 1.01 -1.04 -0.84 120.40 124.82 1x5f s VAL 54 Ca 0.06 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 1x5f s VAL 54 Cb -0.12 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 1x5f s VAL 54 CO 0.02 0.51 0.07 -0.36 0.00 0.00 0.00 175.10 175.34 1x5f s PHE 55 N 1.15 3.10 -0.01 5.22 0.40 -0.32 -0.91 117.98 126.62 1x5f s PHE 55 Ca 0.01 -0.75 0.07 0.00 -0.60 0.00 0.00 56.93 55.65 1x5f s PHE 55 Cb -0.14 -2.24 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 1x5f s PHE 55 CO -0.06 -0.49 -0.21 1.52 0.70 0.00 0.00 175.22 176.67 1x5f s TYR 56 N 1.55 2.48 -0.23 0.36 1.13 -1.00 -0.98 117.35 120.65 1x5f s TYR 56 Ca 0.04 -0.32 -0.26 0.00 -1.41 0.00 0.00 57.07 55.12 1x5f s TYR 56 Cb -0.16 -1.51 0.08 0.00 -1.10 0.00 0.00 41.96 39.26 1x5f s TYR 56 CO 0.02 0.11 0.76 -0.08 -2.51 0.00 0.00 175.55 173.85 1x5f s THR 57 N -0.74 0.00 0.27 -3.49 -1.32 -1.16 -2.49 115.64 106.72 1x5f s THR 57 Ca 0.12 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.29 1x5f s THR 57 Cb -0.10 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.78 1x5f s THR 57 CO 0.01 0.00 1.55 -0.75 -2.21 0.00 0.00 174.62 173.22 1x5f s LYS 58 N 0.04 4.17 -0.41 7.08 2.20 -1.26 -1.45 119.74 130.11 1x5f s LYS 58 Ca -0.02 2.48 -0.42 0.00 -0.36 0.00 0.00 55.97 57.66 1x5f s LYS 58 Cb -0.04 -3.06 -0.17 0.00 -1.51 0.00 0.00 37.83 33.06 1x5f s LYS 58 CO 0.02 -0.57 1.95 -1.91 -0.36 0.00 0.00 175.35 174.48 1x5f n GLU 59 N 2.39 0.54 0.00 4.03 0.00 -1.26 -0.55 120.64 125.79 1x5f n GLU 59 Ca 0.08 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.42 1x5f n GLU 59 Cb 0.38 -1.87 0.00 0.00 0.00 0.00 0.00 31.44 29.95 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 5.77 3.17 3.65 8.31 0.00 -1.26 -5.05 105.19 119.78 1x5f n GLY 60 Ca 0.40 -0.87 -0.50 0.00 0.00 0.00 0.00 46.02 45.04 1x5f n GLY 60 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x5f n ILE 61 N 0.00 0.14 0.18 -0.61 2.08 0.29 -4.83 119.36 116.61 1x5f n ILE 61 Ca 0.00 -0.03 -0.06 0.00 0.56 0.00 0.00 62.75 63.23 1x5f n ILE 61 Cb 0.00 -1.30 0.10 0.00 -0.75 0.00 0.00 39.64 37.69 1x5f n ILE 61 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x5f n ALA 62 N 3.95 3.49 -3.74 -1.39 0.00 -1.26 -4.72 120.51 116.84 1x5f n ALA 62 Ca 0.20 -1.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.39 1x5f n ALA 62 Cb 0.23 -1.14 -0.17 0.00 0.00 0.00 0.00 19.45 18.37 1x5f n ALA 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x5f s ARG 63 N -1.39 0.58 0.10 0.00 0.52 -1.26 -5.14 118.95 112.37 1x5f s ARG 63 Ca 0.22 -0.12 0.09 0.00 -0.52 0.00 0.00 55.73 55.40 1x5f s ARG 63 Cb 0.18 -1.49 -0.04 0.00 0.52 0.00 0.00 34.95 34.12 1x5f s ARG 63 CO 0.05 -0.47 -0.22 -1.83 0.02 0.00 0.00 175.30 172.85 1x5f s GLU 64 N 1.94 1.21 -0.06 3.54 1.03 -1.26 -4.66 118.70 120.43 1x5f s GLU 64 Ca 0.02 -1.19 0.02 0.00 0.03 0.00 0.00 54.97 53.85 1x5f s GLU 64 Cb -0.14 -1.52 -0.03 0.00 -0.80 0.00 0.00 34.13 31.64 1x5f s GLU 64 CO -0.07 0.36 -0.09 1.03 -1.33 0.00 0.00 175.26 175.16 1x5f s ARG 65 N -1.88 2.70 -0.03 -4.83 0.52 -1.04 -4.91 118.95 109.48 1x5f s ARG 65 Ca 0.08 -0.59 -0.09 0.00 -0.52 0.00 0.00 55.73 54.61 1x5f s ARG 65 Cb -0.10 -2.54 -0.05 0.00 0.52 0.00 0.00 34.95 32.78 1x5f s ARG 65 CO 0.04 0.65 0.28 0.54 0.02 0.00 0.00 175.30 176.83 1x5f s VAL 66 N -0.77 5.27 -0.22 3.52 0.11 -1.26 -2.37 120.40 124.68 1x5f s VAL 66 Ca 0.12 0.39 -0.00 0.00 -2.93 0.00 0.00 61.98 59.56 1x5f s VAL 66 Cb -0.11 -3.56 0.06 0.00 -1.53 0.00 0.00 36.38 31.24 1x5f s VAL 66 CO 0.01 0.50 -0.03 -0.70 -3.33 0.00 0.00 175.10 171.55 1x5f s GLU 67 N -1.36 1.37 -0.08 1.54 2.56 -0.09 -4.91 118.70 117.74 1x5f s GLU 67 Ca 0.23 -0.81 -0.30 0.00 0.00 0.00 0.00 54.97 54.10 1x5f s GLU 67 Cb -0.14 -2.42 -0.02 0.00 2.00 0.00 0.00 34.13 33.55 1x5f s GLU 67 CO 0.12 -0.59 1.06 -0.80 -0.56 0.00 0.00 175.26 174.49 1x5f s ASN 68 N 1.53 7.20 -0.07 -1.70 -0.87 -1.26 -2.49 114.94 117.27 1x5f s ASN 68 Ca -0.04 1.63 -0.36 0.00 -1.57 0.00 0.00 52.86 52.52 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 -0.07 -0.47 1.69 0.35 -2.57 0.00 0.00 177.10 176.03 1x5f n THR 69 N 4.51 0.29 -0.51 1.60 -2.24 -1.05 -4.75 114.28 112.14 1x5f n THR 69 Ca 0.09 -0.05 0.40 0.00 -2.27 0.00 0.00 64.05 62.21 1x5f n THR 69 Cb 0.48 -1.43 0.62 0.00 -2.10 0.00 0.00 70.33 67.90 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 4.98 0.05 -4.01 3.42 2.88 -1.26 -4.14 113.62 115.53 1x5f n SER 70 Ca 0.22 0.88 -0.15 0.00 -1.33 0.00 0.00 58.87 58.49 1x5f n SER 70 Cb 0.22 -0.44 -0.13 0.00 -0.75 0.00 0.00 64.21 63.11 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 -4.60 0.61 0.22 0.66 3.76 -1.26 -5.14 115.29 109.54 1x5f s HIS 71 Ca -0.05 -0.27 -0.30 0.00 -0.15 0.00 0.00 55.06 54.30 1x5f s HIS 71 Cb 0.22 -0.38 -0.09 0.00 1.11 0.00 0.00 32.58 33.45 1x5f s HIS 71 CO 0.69 -0.03 1.29 -1.25 -0.85 0.00 0.00 174.74 174.59 1x5f s PRO 72 N -0.75 4.41 0.00 8.40 0.04 -1.26 -2.97 135.00 142.87 1x5f s PRO 72 Ca -0.03 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1x5f s PRO 72 Cb -0.06 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1x5f s PRO 72 CO 0.00 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1x5f n GLY 73 N 2.05 3.22 3.69 0.56 0.00 -1.01 -4.92 105.19 108.78 1x5f n GLY 73 Ca 0.05 0.00 -0.65 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.24 0.13 -0.14 1.61 2.13 -1.16 -4.79 120.64 117.19 1x5f n GLU 74 Ca 0.00 0.05 0.04 0.00 0.66 0.00 0.00 57.16 57.91 1x5f n GLU 74 Cb 0.00 -1.57 0.11 0.00 0.27 0.00 0.00 31.44 30.25 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 3.53 1.62 -3.52 5.31 2.81 -1.26 -4.85 117.12 120.76 1x5f n MET 75 Ca 0.28 -0.92 -0.16 0.00 -1.81 0.00 0.00 57.70 55.08 1x5f n MET 75 Cb -0.01 -1.22 -0.06 0.00 -0.71 0.00 0.00 33.22 31.22 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 -1.66 0.99 0.19 0.03 0.00 -1.26 -0.80 119.66 117.15 1x5f s GLN 76 Ca 0.17 0.20 -0.10 0.00 -0.00 0.00 0.00 55.36 55.63 1x5f s GLN 76 Cb 0.09 0.47 -0.01 0.00 0.00 0.00 0.00 33.01 33.56 1x5f s GLN 76 CO 0.11 -0.32 0.35 0.54 0.00 0.00 0.00 175.29 175.97 1x5f s VAL 77 N -1.31 0.04 -0.06 3.63 0.11 -1.06 -4.99 120.40 116.76 1x5f s VAL 77 Ca -0.09 -1.36 0.04 0.00 -2.93 0.00 0.00 61.98 57.64 1x5f s VAL 77 Cb -0.00 -1.93 -0.02 0.00 -1.53 0.00 0.00 36.38 32.90 1x5f s VAL 77 CO 0.07 -0.19 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.58 1x5f s THR 78 N -3.98 2.72 -0.50 5.04 2.01 -1.26 -0.79 115.64 118.87 1x5f s THR 78 Ca 0.19 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1x5f s THR 78 Cb 0.02 -2.05 0.13 0.00 0.01 0.00 0.00 72.50 70.61 1x5f s THR 78 CO 0.02 0.57 0.27 -0.63 -0.69 0.00 0.00 174.62 174.16 1x5f s ILE 79 N -0.39 3.01 0.73 1.82 -1.09 -0.86 -4.97 121.20 119.45 1x5f s ILE 79 Ca 0.04 -2.80 -0.02 0.00 -2.23 0.00 0.00 60.65 55.64 1x5f s ILE 79 Cb -0.12 -3.06 0.13 0.00 -1.58 0.00 0.00 42.46 37.83 1x5f s ILE 79 CO 0.02 -0.77 1.01 -1.10 -1.23 0.00 0.00 174.94 172.87 1x5f s GLN 80 N 0.26 1.65 -0.52 2.79 -0.21 -1.26 -1.85 119.66 120.51 1x5f s GLN 80 Ca 0.14 -1.03 -0.01 0.00 0.02 0.00 0.00 55.36 54.49 1x5f s GLN 80 Cb -0.22 -2.30 0.00 0.00 1.00 0.00 0.00 33.01 31.49 1x5f s GLN 80 CO -0.03 -1.49 0.44 0.09 -2.12 0.00 0.00 175.29 172.18 1x5f n ASN 81 N -2.89 -2.35 -4.59 5.90 3.02 -0.77 -4.92 115.26 108.65 1x5f n ASN 81 Ca 0.15 -0.26 -0.27 0.00 -0.03 0.00 0.00 54.58 54.17 1x5f n ASN 81 Cb 0.60 -2.46 -0.11 0.00 -0.61 0.00 0.00 39.78 37.21 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 -3.82 2.72 -0.12 3.41 1.43 -0.66 -5.03 118.68 116.61 1x5f s LEU 82 Ca 0.05 -1.39 -0.04 0.00 -1.03 0.00 0.00 54.13 51.71 1x5f s LEU 82 Cb -0.02 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 1x5f s LEU 82 CO 0.31 -0.50 0.04 -0.32 0.23 0.00 0.00 176.35 176.10 1x5f s MET 83 N -3.75 3.35 0.48 1.70 -2.45 -1.26 -4.57 119.30 112.80 1x5f s MET 83 Ca 0.34 -0.35 -0.22 0.00 -1.25 0.00 0.00 55.69 54.21 1x5f s MET 83 Cb 0.09 -2.97 -0.07 0.00 1.25 0.00 0.00 34.83 33.13 1x5f s MET 83 CO 0.17 0.58 1.15 -1.25 1.05 0.00 0.00 175.02 176.72 1x5f s PRO 84 N -0.53 3.64 -1.51 4.11 0.04 -1.07 -3.27 135.00 136.42 1x5f s PRO 84 Ca 0.10 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 1x5f s PRO 84 Cb -0.12 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1x5f s PRO 84 CO 0.02 -0.64 0.08 0.00 0.04 0.00 0.00 177.00 176.51 1x5f n ALA 85 N -0.72 -0.58 -3.70 8.56 0.00 -1.22 -4.85 120.51 118.00 1x5f n ALA 85 Ca 0.09 0.16 -0.21 0.00 0.00 0.00 0.00 53.44 53.48 1x5f n ALA 85 Cb 0.49 -2.19 -0.17 0.00 0.00 0.00 0.00 19.45 17.58 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 -2.93 0.41 0.68 0.00 2.01 -1.20 -4.89 115.64 109.71 1x5f s THR 86 Ca 0.04 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 61.91 1x5f s THR 86 Cb -0.02 -0.50 0.01 0.00 0.01 0.00 0.00 72.50 72.01 1x5f s THR 86 CO 0.05 0.22 1.12 0.68 -0.69 0.00 0.00 174.62 176.00 1x5f s VAL 87 N 1.35 3.17 -0.19 3.82 -7.23 -1.26 -3.31 120.40 116.75 1x5f s VAL 87 Ca -0.05 0.52 -0.05 0.00 -1.81 0.00 0.00 61.98 60.60 1x5f s VAL 87 Cb -0.13 -3.04 0.09 0.00 0.56 0.00 0.00 36.38 33.86 1x5f s VAL 87 CO -0.02 -0.35 0.34 -0.31 -0.31 0.00 0.00 175.10 174.44 1x5f s TYR 88 N -2.38 -0.62 -0.55 2.82 2.02 0.29 -4.04 117.35 114.89 1x5f s TYR 88 Ca 0.67 1.05 -0.28 0.00 -0.37 0.00 0.00 57.07 58.14 1x5f s TYR 88 Cb -0.21 0.06 0.01 0.00 -0.40 0.00 0.00 41.96 41.41 1x5f s TYR 88 CO 0.43 -0.50 1.50 0.42 -1.57 0.00 0.00 175.55 175.83 1x5f s ILE 89 N 2.50 3.71 -0.09 2.71 -1.09 -0.53 -2.99 121.20 125.42 1x5f s ILE 89 Ca 0.03 0.59 -0.14 0.00 -2.23 0.00 0.00 60.65 58.91 1x5f s ILE 89 Cb -0.13 -4.32 -0.05 0.00 -1.58 0.00 0.00 42.46 36.38 1x5f s ILE 89 CO -0.12 -1.09 0.33 -0.36 -1.23 0.00 0.00 174.94 172.48 1x5f s PHE 90 N 6.49 3.58 -0.12 3.97 0.40 -0.24 -2.99 117.98 129.07 1x5f s PHE 90 Ca 0.56 0.76 -0.00 0.00 -0.60 0.00 0.00 56.93 57.65 1x5f s PHE 90 Cb -0.12 -2.29 0.02 0.00 0.51 0.00 0.00 43.02 41.14 1x5f s PHE 90 CO 0.25 0.44 -0.09 1.03 0.70 0.00 0.00 175.22 177.56 1x5f s ARG 91 N -0.27 1.65 -0.10 0.44 0.52 -0.16 -0.79 118.95 120.24 1x5f s ARG 91 Ca 0.20 -0.31 -0.14 0.00 -0.52 0.00 0.00 55.73 54.96 1x5f s ARG 91 Cb -0.14 -1.68 -0.05 0.00 0.52 0.00 0.00 34.95 33.59 1x5f s ARG 91 CO 0.08 -0.27 0.33 0.08 0.02 0.00 0.00 175.30 175.54 1x5f s VAL 92 N 1.67 5.24 0.03 3.52 1.01 -1.26 -1.17 120.40 129.44 1x5f s VAL 92 Ca 0.05 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.67 1x5f s VAL 92 Cb -0.13 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1x5f s VAL 92 CO -0.09 0.47 -0.05 -0.32 0.00 0.00 0.00 175.10 175.11 1x5f s MET 93 N -0.16 0.40 0.10 2.72 0.00 -0.02 0.27 119.30 122.61 1x5f s MET 93 Ca 0.19 -0.69 0.02 0.00 0.00 0.00 0.00 55.69 55.22 1x5f s MET 93 Cb -0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 34.83 34.62 1x5f s MET 93 CO 0.07 -0.02 0.20 0.00 0.00 0.00 0.00 175.02 175.27 1x5f s ALA 94 N -1.53 3.87 -0.06 4.11 0.00 -1.26 -0.34 121.76 126.55 1x5f s ALA 94 Ca -0.13 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 1x5f s ALA 94 Cb -0.09 -1.69 0.04 0.00 0.00 0.00 0.00 23.12 21.37 1x5f s ALA 94 CO -0.01 0.70 0.11 -0.65 0.00 0.00 0.00 175.76 175.92 1x5f s GLN 95 N -2.74 0.04 0.23 0.00 -0.21 0.18 -2.79 119.66 114.37 1x5f s GLN 95 Ca 0.33 0.36 0.00 0.00 0.02 0.00 0.00 55.36 56.08 1x5f s GLN 95 Cb -0.12 -0.24 -0.00 0.00 1.00 0.00 0.00 33.01 33.65 1x5f s GLN 95 CO 0.26 -0.20 0.01 0.27 -2.12 0.00 0.00 175.29 173.51 1x5f n ASN 96 N 4.47 2.52 0.33 5.90 0.23 -1.02 0.16 115.26 127.85 1x5f n ASN 96 Ca -0.22 -2.02 0.08 0.00 -0.53 0.00 0.00 54.58 51.89 1x5f n ASN 96 Cb 0.51 0.19 0.42 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 -1.55 116.57 111.28 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 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1x5f h LYS 97 CO 0.31 0.00 -0.04 0.45 -2.00 0.00 0.00 179.45 178.18 1x5f h HIS 98 N 0.00 0.00 0.00 0.07 3.86 -1.93 -3.52 115.15 113.63 1x5f h HIS 98 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1x5f h HIS 98 Cb 1.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.78 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 1.86 -0.62 3.65 2.45 0.00 -0.58 -5.06 105.19 106.88 1x5f n GLY 99 Ca -0.01 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 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 6.68 0.00 1.61 1.04 -1.26 -2.44 113.70 115.33 1x5f s SER 100 Ca 0.00 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1x5f s SER 100 Cb 0.00 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1x5f s SER 100 CO 0.00 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1x5f n GLY 101 N 3.89 0.68 3.80 7.32 0.00 -1.12 -4.96 105.19 114.81 1x5f n GLY 101 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 1.26 3.86 -0.10 1.61 2.12 -1.24 -4.98 118.70 121.24 1x5f s GLU 102 Ca 0.00 -0.15 -0.26 0.00 0.36 0.00 0.00 54.97 54.92 1x5f s GLU 102 Cb 0.00 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 1x5f s GLU 102 CO 0.00 0.52 0.86 -1.12 -0.54 0.00 0.00 175.26 174.97 1x5f s SER 103 N -0.28 7.10 1.24 -1.70 0.01 -1.26 -2.20 113.70 116.62 1x5f s SER 103 Ca 0.12 1.34 -0.18 0.00 1.31 0.00 0.00 55.95 58.53 1x5f s SER 103 Cb -0.12 -2.48 0.27 0.00 0.21 0.00 0.00 66.02 63.90 1x5f s SER 103 CO 0.01 -0.30 0.62 -1.54 0.41 0.00 0.00 173.24 172.44 1x5f n SER 104 N 4.53 -3.09 -4.78 2.44 3.41 0.14 -4.88 113.62 111.39 1x5f n SER 104 Ca 0.04 -0.48 -0.36 0.00 -0.26 0.00 0.00 58.87 57.81 1x5f n SER 104 Cb 0.50 -0.99 -0.03 0.00 -0.26 0.00 0.00 64.21 63.43 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 -2.18 2.95 -0.12 7.33 0.00 -1.26 -4.63 121.76 123.85 1x5f s ALA 105 Ca 0.58 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 1x5f s ALA 105 Cb -0.14 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1x5f s ALA 105 CO 0.55 -0.38 1.54 -1.25 0.00 0.00 0.00 175.76 176.22 1x5f s PRO 106 N -2.87 4.12 -0.15 0.00 0.04 -1.26 -4.60 135.00 130.27 1x5f s PRO 106 Ca 0.64 1.94 -0.12 0.00 0.04 0.00 0.00 61.00 63.50 1x5f s PRO 106 Cb -0.21 -3.94 -0.05 0.00 0.04 0.00 0.00 34.50 30.35 1x5f s PRO 106 CO 0.26 -0.90 0.23 -1.17 0.04 0.00 0.00 177.00 175.46 1x5f s LEU 107 N 4.12 4.28 -0.45 -3.56 2.96 0.03 -4.89 118.68 121.17 1x5f s LEU 107 Ca 0.68 0.46 -0.19 0.00 -0.22 0.00 0.00 54.13 54.86 1x5f s LEU 107 Cb -0.28 -2.26 0.04 0.00 0.50 0.00 0.00 46.19 44.18 1x5f s LEU 107 CO 0.25 0.19 0.55 -0.60 -1.32 0.00 0.00 176.35 175.43 1x5f s ARG 108 N 0.05 3.15 -0.14 1.98 3.52 -1.26 -1.08 118.95 125.17 1x5f s ARG 108 Ca 0.14 -0.71 0.02 0.00 -0.13 0.00 0.00 55.73 55.06 1x5f s ARG 108 Cb -0.13 -4.01 0.01 0.00 -1.56 0.00 0.00 34.95 29.26 1x5f s ARG 108 CO 0.03 -1.02 -0.21 0.08 -0.81 0.00 0.00 175.30 173.37 1x5f s VAL 109 N 2.47 2.17 -0.22 7.11 1.01 -1.16 -4.95 120.40 126.83 1x5f s VAL 109 Ca 0.16 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1x5f s VAL 109 Cb -0.17 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1x5f s VAL 109 CO 0.14 0.54 0.01 -0.70 0.00 0.00 0.00 175.10 175.10 1x5f s GLU 110 N 0.79 3.57 1.26 2.72 2.12 -1.26 -0.54 118.70 127.36 1x5f s GLU 110 Ca -0.07 -0.53 -0.20 0.00 0.36 0.00 0.00 54.97 54.53 1x5f s GLU 110 Cb -0.16 -3.15 0.31 0.00 0.26 0.00 0.00 34.13 31.40 1x5f s GLU 110 CO -0.01 -0.11 1.05 0.95 -0.54 0.00 0.00 175.26 176.60 1x5f s THR 111 N 1.33 1.51 -0.08 -1.70 -4.23 -1.21 -4.92 115.64 106.34 1x5f s THR 111 Ca 0.04 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.51 1x5f s THR 111 Cb -0.15 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 1x5f s THR 111 CO 0.01 0.00 0.11 -1.10 -0.54 0.00 0.00 174.62 173.10 1x5f s GLN 112 N -5.23 3.28 -0.59 3.99 -1.52 -1.26 -3.67 119.66 114.66 1x5f s GLN 112 Ca 0.70 -0.28 -0.27 0.00 -1.95 0.00 0.00 55.36 53.57 1x5f s GLN 112 Cb -0.12 -3.04 -0.02 0.00 -0.22 0.00 0.00 33.01 29.61 1x5f s GLN 112 CO 0.57 0.73 1.85 -1.25 -0.25 0.00 0.00 175.29 176.94 1x5f s PRO 113 N -1.25 2.68 -0.01 2.91 0.04 -1.26 -3.44 135.00 134.67 1x5f s PRO 113 Ca 0.18 0.66 -0.16 0.00 0.04 0.00 0.00 61.00 61.72 1x5f s PRO 113 Cb -0.12 -4.37 -0.33 0.00 0.04 0.00 0.00 34.50 29.72 1x5f s PRO 113 CO 0.07 -2.67 0.86 1.05 0.04 0.00 0.00 177.00 176.36 1x5f h GLU 114 N 14.79 0.45 0.01 4.56 4.11 -1.92 -3.38 114.58 133.20 1x5f h GLU 114 Ca -0.26 -0.76 -0.00 0.00 0.07 0.00 0.00 59.36 58.40 1x5f h GLU 114 Cb 1.16 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1x5f h GLU 114 CO 1.21 1.36 -0.00 1.03 0.07 0.00 0.00 179.01 182.68 1x5f h SER 115 N 0.01 -0.01 -3.89 3.06 0.87 -1.97 -3.46 113.55 108.17 1x5f h SER 115 Ca -0.26 -0.78 -0.56 0.00 -1.23 0.00 0.00 61.79 58.96 1x5f h SER 115 Cb 2.03 0.00 0.15 0.00 -0.44 0.00 0.00 62.40 64.15 1x5f h SER 115 CO 0.22 0.79 0.44 0.61 -0.53 0.00 0.00 176.83 178.36 1x5f n GLY 116 N 1.11 0.40 3.71 5.77 0.00 -1.26 -4.98 105.19 109.94 1x5f n GLY 116 Ca -0.09 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.96 1.04 0.13 1.61 0.04 -1.26 -4.93 135.00 128.67 1x5f s PRO 117 Ca 0.76 0.75 0.04 0.00 0.04 0.00 0.00 61.00 62.59 1x5f s PRO 117 Cb -0.41 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1x5f s PRO 117 CO 0.46 -2.37 -0.11 -1.54 0.04 0.00 0.00 177.00 173.49 1x5f s SER 118 N -3.42 1.70 -0.24 6.66 1.04 -1.26 -5.08 113.70 113.10 1x5f s SER 118 Ca 0.64 -0.92 -0.21 0.00 0.48 0.00 0.00 55.95 55.94 1x5f s SER 118 Cb -0.18 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 1x5f s SER 118 CO 0.57 -0.28 0.67 -0.44 0.98 0.00 0.00 173.24 174.74 1x5f s SER 119 N -2.82 6.64 0.00 7.02 0.01 -1.26 -5.31 113.70 117.98 1x5f s SER 119 Ca 0.12 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.17 1x5f s SER 119 Cb -0.00 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1x5f s SER 119 CO 0.01 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.88