#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 -0.62 0.34 1.61 0.01 -1.26 -5.17 113.70 108.61 1x5f s SER 2 Ca 0.00 1.05 -0.09 0.00 1.31 0.00 0.00 55.95 58.22 1x5f s SER 2 Cb 0.00 0.94 0.02 0.00 0.21 0.00 0.00 66.02 67.19 1x5f s SER 2 CO 0.00 -0.20 0.60 -0.44 0.41 0.00 0.00 173.24 173.60 1x5f s SER 3 N 1.35 0.41 0.00 2.44 0.01 -1.26 -5.07 113.70 111.58 1x5f s SER 3 Ca -0.09 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 55.92 1x5f s SER 3 Cb -0.07 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.88 1x5f s SER 3 CO -0.13 -1.41 0.00 0.61 0.41 0.00 0.00 173.24 172.71 1x5f n GLY 4 N -0.52 0.57 0.14 3.44 0.00 -1.26 -5.05 105.19 102.50 1x5f n GLY 4 Ca -0.03 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 1x5f n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5f n SER 5 N -0.18 2.09 -4.01 1.61 3.41 -1.26 -5.02 113.62 110.26 1x5f n SER 5 Ca 0.00 0.16 -0.16 0.00 -0.26 0.00 0.00 58.87 58.62 1x5f n SER 5 Cb 0.08 -0.79 -0.09 0.00 -0.26 0.00 0.00 64.21 63.14 1x5f n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x5f s SER 6 N -6.95 0.89 -0.07 4.04 0.15 -1.26 -5.18 113.70 105.32 1x5f s SER 6 Ca -0.25 -1.50 -0.29 0.00 0.70 0.00 0.00 55.95 54.61 1x5f s SER 6 Cb 0.07 0.39 0.07 0.00 -1.71 0.00 0.00 66.02 64.83 1x5f s SER 6 CO 0.73 -0.88 0.65 -0.83 1.20 0.00 0.00 173.24 174.11 1x5f s GLY 7 N -3.27 -0.54 0.10 9.45 0.00 -1.26 -5.17 107.32 106.63 1x5f s GLY 7 Ca 0.38 1.31 0.07 0.00 0.00 0.00 0.00 44.72 46.48 1x5f s GLY 7 CO 0.16 0.97 -0.18 -0.54 0.00 0.00 0.00 173.10 173.52 1x5f s GLU 8 N -1.01 1.03 0.00 2.90 0.41 -1.26 -5.14 118.70 115.62 1x5f s GLU 8 Ca -0.10 -1.13 -0.09 0.00 -0.41 0.00 0.00 54.97 53.24 1x5f s GLU 8 Cb -0.01 -1.14 -0.05 0.00 -1.78 0.00 0.00 34.13 31.15 1x5f s GLU 8 CO 0.08 0.25 0.30 -1.01 -0.49 0.00 0.00 175.26 174.39 1x5f s HIS 9 N -1.43 3.61 -0.83 1.61 3.76 -1.26 -5.05 115.29 115.70 1x5f s HIS 9 Ca 0.05 0.67 -0.00 0.00 -0.15 0.00 0.00 55.06 55.63 1x5f s HIS 9 Cb -0.09 -2.06 0.20 0.00 1.11 0.00 0.00 32.58 31.74 1x5f s HIS 9 CO 0.04 0.62 0.69 0.00 -0.85 0.00 0.00 174.74 175.23 1x5f s ALA 10 N -1.24 4.10 0.01 -1.40 0.00 -1.26 -5.07 121.76 116.91 1x5f s ALA 10 Ca 0.26 -3.79 -0.30 0.00 0.00 0.00 0.00 51.96 48.13 1x5f s ALA 10 Cb -0.14 -2.67 -0.06 0.00 0.00 0.00 0.00 23.12 20.26 1x5f s ALA 10 CO 0.14 -2.13 1.44 -1.25 0.00 0.00 0.00 175.76 173.96 1x5f s PRO 11 N -1.26 4.27 0.02 0.00 0.04 -1.26 -5.02 135.00 131.78 1x5f s PRO 11 Ca 0.26 2.03 -0.00 0.00 0.04 0.00 0.00 61.00 63.32 1x5f s PRO 11 Cb -0.08 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 1x5f s PRO 11 CO -0.12 -0.60 0.13 0.00 0.04 0.00 0.00 177.00 176.45 1x5f s ALA 12 N 2.39 3.76 -0.04 8.56 0.00 -1.26 -5.08 121.76 130.09 1x5f s ALA 12 Ca 0.65 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 1x5f s ALA 12 Cb -0.33 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 1x5f s ALA 12 CO 0.27 0.74 1.11 0.99 0.00 0.00 0.00 175.76 178.88 1x5f s THR 13 N -1.32 4.47 0.64 0.00 2.01 -1.26 -5.04 115.64 115.14 1x5f s THR 13 Ca 0.27 1.77 0.01 0.00 0.31 0.00 0.00 61.69 64.05 1x5f s THR 13 Cb -0.12 -4.14 0.09 0.00 0.01 0.00 0.00 72.50 68.34 1x5f s THR 13 CO 0.19 0.04 0.89 0.42 -0.69 0.00 0.00 174.62 175.48 1x5f s THR 14 N 1.78 2.32 0.00 -0.82 -4.23 -1.26 -5.11 115.64 108.32 1x5f s THR 14 Ca 0.54 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1x5f s THR 14 Cb -0.23 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1x5f s THR 14 CO 0.23 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 1x5f n GLY 15 N -2.59 -1.87 3.75 3.99 0.00 -1.26 -5.01 105.19 102.20 1x5f n GLY 15 Ca 0.13 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 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 1.98 0.15 1.61 0.04 -1.26 -5.07 135.00 132.45 1x5f s PRO 16 Ca 0.00 1.08 0.08 0.00 0.04 0.00 0.00 61.00 62.20 1x5f s PRO 16 Cb 0.00 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1x5f s PRO 16 CO 0.00 -1.81 -0.19 -0.51 0.04 0.00 0.00 177.00 174.53 1x5f s LEU 17 N -6.01 2.41 0.00 -3.56 1.43 -1.26 -4.97 118.68 106.72 1x5f s LEU 17 Ca 0.62 -0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 52.72 1x5f s LEU 17 Cb -0.17 -0.84 0.26 0.00 0.03 0.00 0.00 46.19 45.46 1x5f s LEU 17 CO 0.56 -0.01 0.92 -0.81 0.23 0.00 0.00 176.35 177.24 1x5f n PRO 18 N 0.47 -2.83 -4.69 1.29 -0.04 -1.26 -4.90 135.00 123.04 1x5f n PRO 18 Ca -0.15 -1.47 -0.31 0.00 -0.04 0.00 0.00 63.50 61.53 1x5f n PRO 18 Cb 0.56 -1.38 -0.13 0.00 -0.04 0.00 0.00 33.50 32.51 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 -3.98 3.68 0.71 3.54 0.15 -1.26 -3.03 113.70 113.50 1x5f s SER 19 Ca 0.60 -0.47 -0.16 0.00 0.70 0.00 0.00 55.95 56.62 1x5f s SER 19 Cb -0.06 -0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 63.70 1x5f s SER 19 CO 0.46 0.25 0.82 0.00 1.20 0.00 0.00 173.24 175.97 1x5f n ALA 20 N 1.56 -0.65 -1.11 5.45 0.00 -1.08 -4.68 120.51 119.99 1x5f n ALA 20 Ca -0.16 -0.19 -0.29 0.00 0.00 0.00 0.00 53.44 52.79 1x5f n ALA 20 Cb 0.52 -2.03 0.21 0.00 0.00 0.00 0.00 19.45 18.16 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 -3.10 -0.56 0.19 0.00 0.04 -1.26 -4.59 135.00 125.73 1x5f s PRO 21 Ca 0.71 0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.93 1x5f s PRO 21 Cb -0.35 -1.65 -0.00 0.00 0.04 0.00 0.00 34.50 32.53 1x5f s PRO 21 CO 0.53 -3.32 0.02 0.54 0.04 0.00 0.00 177.00 174.81 1x5f n ARG 22 N -4.53 1.26 -3.55 4.56 3.00 -1.24 -4.79 116.66 111.37 1x5f n ARG 22 Ca 0.09 -1.48 -0.26 0.00 -0.01 0.00 0.00 57.85 56.19 1x5f n ARG 22 Cb 0.59 0.53 -0.00 0.00 0.00 0.00 0.00 32.46 33.57 1x5f n ARG 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1x5f n ASP 23 N -1.36 -3.84 -4.57 0.55 2.03 -1.26 -1.11 116.55 106.98 1x5f n ASP 23 Ca -0.07 -0.53 -0.41 0.00 0.52 0.00 0.00 54.79 54.31 1x5f n ASP 23 Cb 0.26 -3.16 -0.03 0.00 -0.72 0.00 0.00 41.12 37.48 1x5f n ASP 23 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1x5f s VAL 24 N -3.03 3.47 0.24 5.18 1.01 -1.26 -4.04 120.40 121.98 1x5f s VAL 24 Ca 0.48 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.87 1x5f s VAL 24 Cb -0.25 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1x5f s VAL 24 CO 0.60 -0.72 0.14 0.68 0.00 0.00 0.00 175.10 175.80 1x5f s VAL 25 N 7.78 0.17 -0.45 2.92 -7.23 0.53 -5.00 120.40 119.11 1x5f s VAL 25 Ca 0.71 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.78 1x5f s VAL 25 Cb -0.16 -2.53 0.11 0.00 0.56 0.00 0.00 36.38 34.35 1x5f s VAL 25 CO 0.27 0.00 0.32 0.00 -0.31 0.00 0.00 175.10 175.37 1x5f s ALA 26 N -3.90 3.36 0.56 1.32 0.00 -1.26 0.32 121.76 122.15 1x5f s ALA 26 Ca 0.38 -2.40 0.28 0.00 0.00 0.00 0.00 51.96 50.22 1x5f s ALA 26 Cb 0.06 -2.76 1.47 0.00 0.00 0.00 0.00 23.12 21.89 1x5f s ALA 26 CO 0.15 -1.82 1.96 1.03 0.00 0.00 0.00 175.76 177.08 1x5f h SER 27 N 8.44 0.00 -4.79 0.00 0.87 -0.92 -3.43 113.55 113.71 1x5f h SER 27 Ca -0.22 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 1x5f h SER 27 Cb 1.08 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.86 1x5f h SER 27 CO 0.83 0.00 0.30 -0.22 -0.53 0.00 0.00 176.83 177.20 1x5f s LEU 28 N -8.07 -0.55 -0.33 2.23 0.20 -1.02 -4.97 118.68 106.17 1x5f s LEU 28 Ca -0.05 0.43 0.02 0.00 0.69 0.00 0.00 54.13 55.22 1x5f s LEU 28 Cb 0.18 2.37 0.10 0.00 -0.43 0.00 0.00 46.19 48.41 1x5f s LEU 28 CO 0.65 -0.63 0.08 -0.69 -0.29 0.00 0.00 176.35 175.46 1x5f s VAL 29 N -1.91 1.58 0.59 1.68 1.01 -1.26 0.10 120.40 122.19 1x5f s VAL 29 Ca -0.05 -1.91 -0.06 0.00 0.00 0.00 0.00 61.98 59.96 1x5f s VAL 29 Cb -0.00 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.21 1x5f s VAL 29 CO 0.02 -0.65 0.90 -0.55 0.00 0.00 0.00 175.10 174.82 1x5f s SER 30 N 1.22 5.59 0.35 3.32 0.15 0.21 -4.57 113.70 119.97 1x5f s SER 30 Ca 0.11 0.71 0.19 0.00 0.70 0.00 0.00 55.95 57.65 1x5f s SER 30 Cb -0.18 -1.70 0.44 0.00 -1.71 0.00 0.00 66.02 62.86 1x5f s SER 30 CO -0.16 -1.06 1.62 0.71 1.20 0.00 0.00 173.24 175.54 1x5f h THR 31 N -0.17 0.75 -0.00 6.45 1.35 -1.96 -3.24 112.91 116.08 1x5f h THR 31 Ca -0.45 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 1x5f h THR 31 Cb 1.26 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 1x5f h THR 31 CO 0.61 0.37 -0.06 0.54 -0.25 0.00 0.00 175.52 176.73 1x5f n ARG 32 N -3.33 1.33 -3.80 4.72 1.74 -1.26 -2.03 116.66 114.03 1x5f n ARG 32 Ca 0.01 -0.58 -0.09 0.00 -0.77 0.00 0.00 57.85 56.42 1x5f n ARG 32 Cb 0.60 -0.99 0.03 0.00 -1.02 0.00 0.00 32.46 31.07 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 -0.10 -2.34 -3.69 -1.55 1.16 -1.22 -1.70 117.46 108.02 1x5f n PHE 33 Ca 0.02 -1.85 -0.11 0.00 -1.87 0.00 0.00 57.45 53.65 1x5f n PHE 33 Cb 0.11 0.92 -0.11 0.00 -1.61 0.00 0.00 39.48 38.79 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 -0.18 -0.16 1.97 1.01 -1.04 0.64 121.20 121.35 1x5f s ILE 34 Ca 0.16 0.14 -0.26 0.00 0.00 0.00 0.00 60.65 60.69 1x5f s ILE 34 Cb -0.05 -0.56 -0.01 0.00 0.01 0.00 0.00 42.46 41.85 1x5f s ILE 34 CO 0.12 0.06 0.85 -0.75 0.00 0.00 0.00 174.94 175.22 1x5f s LYS 35 N 1.70 4.31 0.18 2.79 2.47 0.29 -2.55 119.74 128.94 1x5f s LYS 35 Ca -0.07 1.06 0.06 0.00 -1.56 0.00 0.00 55.97 55.46 1x5f s LYS 35 Cb -0.10 -3.57 -0.04 0.00 -1.46 0.00 0.00 37.83 32.66 1x5f s LYS 35 CO -0.12 -0.33 0.11 -0.51 0.16 0.00 0.00 175.35 174.67 1x5f s LEU 36 N 2.14 3.69 -0.22 5.43 2.01 -0.43 -0.32 118.68 130.97 1x5f s LEU 36 Ca 0.39 -0.22 -0.15 0.00 0.01 0.00 0.00 54.13 54.16 1x5f s LEU 36 Cb -0.17 -2.29 0.07 0.00 0.01 0.00 0.00 46.19 43.81 1x5f s LEU 36 CO 0.13 0.06 0.57 0.42 1.01 0.00 0.00 176.35 178.53 1x5f s THR 37 N -1.82 -0.01 0.19 5.49 -4.23 0.15 -2.69 115.64 112.72 1x5f s THR 37 Ca 0.31 0.03 -0.11 0.00 -1.18 0.00 0.00 61.69 60.73 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 0.23 0.01 0.36 -1.66 -0.54 0.00 0.00 174.62 173.02 1x5f s TRP 38 N 1.10 0.30 0.59 3.99 -2.14 -0.64 -0.35 118.94 121.79 1x5f s TRP 38 Ca -0.06 -0.65 0.08 0.00 2.66 0.00 0.00 56.10 58.12 1x5f s TRP 38 Cb -0.06 0.07 0.09 0.00 -3.10 0.00 0.00 33.47 30.47 1x5f s TRP 38 CO -0.10 -0.81 0.81 1.03 -2.66 0.00 0.00 176.95 175.22 1x5f s ARG 39 N -3.96 2.23 0.47 3.25 0.52 -0.27 -4.63 118.95 116.56 1x5f s ARG 39 Ca 0.17 -1.52 -0.22 0.00 -0.52 0.00 0.00 55.73 53.64 1x5f s ARG 39 Cb 0.02 -2.60 -0.08 0.00 0.52 0.00 0.00 34.95 32.81 1x5f s ARG 39 CO 0.01 -0.92 1.10 0.95 0.02 0.00 0.00 175.30 176.46 1x5f s THR 40 N -2.73 3.42 0.64 0.02 -4.23 -1.26 -3.59 115.64 107.91 1x5f s THR 40 Ca 0.62 0.98 -0.16 0.00 -1.18 0.00 0.00 61.69 61.96 1x5f s THR 40 Cb -0.06 -3.46 -0.01 0.00 1.34 0.00 0.00 72.50 70.31 1x5f s THR 40 CO 0.39 -0.09 1.11 -2.16 -0.54 0.00 0.00 174.62 173.34 1x5f s PRO 41 N -2.90 2.89 0.39 3.99 0.04 -1.07 -4.38 135.00 133.95 1x5f s PRO 41 Ca 0.65 1.42 0.09 0.00 0.04 0.00 0.00 61.00 63.20 1x5f s PRO 41 Cb -0.23 -1.96 0.85 0.00 0.04 0.00 0.00 34.50 33.20 1x5f s PRO 41 CO 0.28 -1.19 1.97 0.00 0.04 0.00 0.00 177.00 178.11 1x5f h ALA 42 N 0.20 1.81 -0.28 8.56 0.00 -1.83 -1.85 119.26 125.87 1x5f h ALA 42 Ca -0.47 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 1x5f h ALA 42 Cb 1.25 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1x5f h ALA 42 CO 0.54 0.08 -0.48 0.66 0.00 0.00 0.00 179.25 180.05 1x5f h SER 43 N 0.61 0.91 -3.51 0.00 4.64 -1.92 -3.40 113.55 110.89 1x5f h SER 43 Ca 0.29 -0.53 -0.62 0.00 -0.47 0.00 0.00 61.79 60.46 1x5f h SER 43 Cb 0.33 -0.26 -0.40 0.00 -0.31 0.00 0.00 62.40 61.76 1x5f h SER 43 CO -0.09 1.26 -0.73 -1.81 -0.87 0.00 0.00 176.83 174.59 1x5f s ASP 44 N -6.84 4.27 0.00 4.97 1.11 -0.71 -4.96 116.67 114.52 1x5f s ASP 44 Ca -0.11 -2.09 0.14 0.00 0.18 0.00 0.00 52.55 50.67 1x5f s ASP 44 Cb 0.09 -1.24 0.65 0.00 1.07 0.00 0.00 42.92 43.50 1x5f s ASP 44 CO 0.87 -0.37 1.44 -0.81 1.18 0.00 0.00 175.17 177.49 1x5f n PRO 45 N 4.29 0.07 -0.01 8.23 -0.04 -1.14 -2.61 135.00 143.78 1x5f n PRO 45 Ca 0.02 0.22 -0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1x5f n PRO 45 Cb 0.40 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.43 0.00 -2.60 0.54 8.25 -1.26 -4.76 115.22 113.96 1x5f n HIS 46 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.37 1x5f n HIS 46 Cb 0.15 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.11 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 2.56 -0.30 0.08 -1.41 0.00 -1.13 -4.67 105.19 100.32 1x5f n GLY 47 Ca -0.03 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1x5f n GLY 47 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1x5f h ASP 48 N -0.27 0.00 -0.37 1.61 3.58 -1.90 -3.23 116.42 115.85 1x5f h ASP 48 Ca -0.18 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.09 1x5f h ASP 48 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1x5f h ASP 48 CO 0.28 0.09 0.00 -0.46 -2.88 0.00 0.00 179.24 176.26 1x5f n ASN 49 N -2.19 4.02 -3.74 2.28 0.23 -1.26 -4.67 115.26 109.94 1x5f n ASN 49 Ca 0.03 -2.71 -0.12 0.00 -0.53 0.00 0.00 54.58 51.24 1x5f n ASN 49 Cb 0.45 -0.50 -0.13 0.00 -2.08 0.00 0.00 39.78 37.52 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 -2.30 0.51 0.79 -4.53 0.05 -1.24 -4.38 118.68 107.59 1x5f s LEU 50 Ca 0.41 0.54 -0.12 0.00 0.05 0.00 0.00 54.13 55.01 1x5f s LEU 50 Cb 0.30 0.79 0.07 0.00 -2.05 0.00 0.00 46.19 45.30 1x5f s LEU 50 CO 0.13 -0.15 1.14 -0.89 -0.55 0.00 0.00 176.35 176.03 1x5f s THR 51 N 1.05 2.54 -0.10 5.48 2.01 0.19 -3.22 115.64 123.59 1x5f s THR 51 Ca -0.07 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.13 1x5f s THR 51 Cb -0.09 -3.11 0.01 0.00 0.01 0.00 0.00 72.50 69.33 1x5f s THR 51 CO -0.07 -0.23 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.13 1x5f s TYR 52 N -3.42 2.15 0.05 4.92 2.02 -1.26 0.79 117.35 122.60 1x5f s TYR 52 Ca 0.61 -0.92 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1x5f s TYR 52 Cb -0.12 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 1x5f s TYR 52 CO 0.51 -0.42 0.12 -1.12 -1.57 0.00 0.00 175.55 173.07 1x5f s SER 53 N 0.63 5.83 -0.13 2.29 0.01 0.12 -2.40 113.70 120.06 1x5f s SER 53 Ca -0.14 0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.23 1x5f s SER 53 Cb -0.16 -1.67 0.03 0.00 0.21 0.00 0.00 66.02 64.43 1x5f s SER 53 CO 0.04 0.19 -0.04 -0.69 0.41 0.00 0.00 173.24 173.15 1x5f s VAL 54 N -1.38 0.85 -0.22 3.43 1.01 -1.01 -1.15 120.40 121.91 1x5f s VAL 54 Ca 0.30 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.87 1x5f s VAL 54 Cb -0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1x5f s VAL 54 CO 0.22 0.21 0.08 -0.36 0.00 0.00 0.00 175.10 175.25 1x5f s PHE 55 N 1.76 3.16 0.09 5.22 0.40 0.54 0.26 117.98 129.40 1x5f s PHE 55 Ca 0.03 -0.16 0.09 0.00 -0.60 0.00 0.00 56.93 56.30 1x5f s PHE 55 Cb -0.14 -2.19 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 1x5f s PHE 55 CO -0.07 -0.13 -0.25 1.52 0.70 0.00 0.00 175.22 176.99 1x5f s TYR 56 N 1.12 2.12 -0.29 0.36 -0.85 -0.76 0.19 117.35 119.25 1x5f s TYR 56 Ca 0.05 -0.39 -0.22 0.00 -0.52 0.00 0.00 57.07 55.98 1x5f s TYR 56 Cb -0.14 -1.20 0.16 0.00 0.38 0.00 0.00 41.96 41.16 1x5f s TYR 56 CO 0.04 0.22 1.16 -0.08 -1.52 0.00 0.00 175.55 175.37 1x5f s THR 57 N -0.98 0.00 0.43 -3.49 -1.32 -1.08 -2.01 115.64 107.19 1x5f s THR 57 Ca 0.11 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.34 1x5f s THR 57 Cb -0.10 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.80 1x5f s THR 57 CO 0.04 0.00 1.29 1.17 -2.21 0.00 0.00 174.62 174.91 1x5f n LYS 58 N 2.47 1.95 -1.53 7.08 4.81 -1.26 -0.91 118.16 130.77 1x5f n LYS 58 Ca -0.14 0.70 -0.48 0.00 -0.87 0.00 0.00 58.31 57.51 1x5f n LYS 58 Cb 0.57 -2.42 -0.06 0.00 0.02 0.00 0.00 35.03 33.14 1x5f n LYS 58 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1x5f n GLU 59 N -0.05 1.50 0.00 1.64 1.02 -1.25 -1.27 120.64 122.22 1x5f n GLU 59 Ca 0.07 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 1x5f n GLU 59 Cb 0.40 -2.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.13 1x5f n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x5f n GLY 60 N 5.92 3.16 3.71 0.62 0.00 -1.26 -5.06 105.19 112.28 1x5f n GLY 60 Ca 0.35 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.20 2.32 -1.69 -0.61 -1.09 -0.40 -4.87 121.20 114.66 1x5f s ILE 61 Ca 0.00 0.17 0.05 0.00 -2.23 0.00 0.00 60.65 58.64 1x5f s ILE 61 Cb 0.00 -3.11 0.18 0.00 -1.58 0.00 0.00 42.46 37.96 1x5f s ILE 61 CO 0.00 0.01 1.06 0.00 -1.23 0.00 0.00 174.94 174.78 1x5f n ALA 62 N 4.30 2.57 -3.62 9.38 0.00 -1.26 -4.69 120.51 127.19 1x5f n ALA 62 Ca 0.16 -0.38 -0.35 0.00 0.00 0.00 0.00 53.44 52.86 1x5f n ALA 62 Cb 0.37 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.67 3.17 0.05 0.00 3.52 -1.26 -5.10 118.95 117.65 1x5f s ARG 63 Ca 0.13 -0.76 0.04 0.00 -0.13 0.00 0.00 55.73 55.01 1x5f s ARG 63 Cb 0.08 -2.96 -0.02 0.00 -1.56 0.00 0.00 34.95 30.48 1x5f s ARG 63 CO 0.08 -0.27 -0.11 -1.83 -0.81 0.00 0.00 175.30 172.36 1x5f s GLU 64 N 1.41 0.71 0.02 5.12 -1.05 -1.26 -4.59 118.70 119.06 1x5f s GLU 64 Ca 0.04 -0.77 0.05 0.00 -0.15 0.00 0.00 54.97 54.14 1x5f s GLU 64 Cb -0.15 -0.63 -0.03 0.00 -0.44 0.00 0.00 34.13 32.88 1x5f s GLU 64 CO -0.05 0.14 -0.12 1.03 0.95 0.00 0.00 175.26 177.21 1x5f s ARG 65 N -1.40 2.34 -0.18 -4.83 1.81 -0.85 -4.89 118.95 110.95 1x5f s ARG 65 Ca -0.04 -0.83 -0.09 0.00 -1.72 0.00 0.00 55.73 53.05 1x5f s ARG 65 Cb -0.09 -2.36 -0.05 0.00 -0.45 0.00 0.00 34.95 32.01 1x5f s ARG 65 CO 0.01 0.58 0.13 0.54 -0.68 0.00 0.00 175.30 175.88 1x5f s VAL 66 N -0.95 5.44 -0.31 3.52 0.11 -1.26 -1.82 120.40 125.13 1x5f s VAL 66 Ca 0.16 0.20 0.02 0.00 -2.93 0.00 0.00 61.98 59.43 1x5f s VAL 66 Cb -0.11 -3.45 0.08 0.00 -1.53 0.00 0.00 36.38 31.37 1x5f s VAL 66 CO 0.06 0.49 -0.00 -0.70 -3.33 0.00 0.00 175.10 171.62 1x5f s GLU 67 N -0.05 1.95 -0.03 1.54 2.12 0.14 -4.88 118.70 119.49 1x5f s GLU 67 Ca 0.10 -1.59 -0.30 0.00 0.36 0.00 0.00 54.97 53.54 1x5f s GLU 67 Cb -0.11 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 1x5f s GLU 67 CO -0.00 -0.77 1.08 0.54 -0.54 0.00 0.00 175.26 175.56 1x5f s ASN 68 N 1.12 7.21 0.14 -1.70 2.20 -1.26 -2.41 114.94 120.24 1x5f s ASN 68 Ca 0.01 1.73 -0.34 0.00 -0.94 0.00 0.00 52.86 53.31 1x5f s ASN 68 Cb -0.20 -2.57 -0.15 0.00 -2.00 0.00 0.00 41.25 36.33 1x5f s ASN 68 CO -0.06 -0.42 1.37 0.35 -2.94 0.00 0.00 177.10 175.41 1x5f n THR 69 N 4.23 0.31 -0.50 0.54 -2.24 -1.01 -4.78 114.28 110.83 1x5f n THR 69 Ca 0.08 -0.08 0.43 0.00 -2.27 0.00 0.00 64.05 62.21 1x5f n THR 69 Cb 0.48 -1.10 0.76 0.00 -2.10 0.00 0.00 70.33 68.38 1x5f n THR 69 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1x5f h SER 70 N 4.62 0.04 -4.52 3.42 0.02 -1.93 -3.39 113.55 111.82 1x5f h SER 70 Ca -0.46 0.02 -0.28 0.00 -0.84 0.00 0.00 61.79 60.24 1x5f h SER 70 Cb 1.31 0.01 -0.23 0.00 0.14 0.00 0.00 62.40 63.63 1x5f h SER 70 CO 0.79 -0.02 -0.74 -1.00 -1.14 0.00 0.00 176.83 174.73 1x5f s HIS 71 N -4.97 0.55 0.16 3.45 3.76 -1.26 -5.13 115.29 111.84 1x5f s HIS 71 Ca -0.05 -0.38 -0.31 0.00 -0.15 0.00 0.00 55.06 54.17 1x5f s HIS 71 Cb 0.25 -0.34 -0.08 0.00 1.11 0.00 0.00 32.58 33.52 1x5f s HIS 71 CO 0.85 -0.07 1.33 -1.25 -0.85 0.00 0.00 174.74 174.74 1x5f s PRO 72 N -1.13 4.37 0.00 8.40 0.04 -1.26 -2.98 135.00 142.44 1x5f s PRO 72 Ca -0.07 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1x5f s PRO 72 Cb -0.08 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1x5f s PRO 72 CO 0.00 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1x5f n GLY 73 N 2.86 3.04 3.25 0.56 0.00 -1.20 -4.87 105.19 108.83 1x5f n GLY 73 Ca 0.08 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.25 0.00 -0.19 1.61 2.13 -1.16 -4.75 120.64 118.04 1x5f n GLU 74 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 1x5f n GLU 74 Cb 0.00 -1.32 0.07 0.00 0.27 0.00 0.00 31.44 30.45 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 3.99 1.63 -3.59 5.31 2.81 -1.26 -4.80 117.12 121.20 1x5f n MET 75 Ca 0.30 -0.59 -0.09 0.00 -1.81 0.00 0.00 57.70 55.51 1x5f n MET 75 Cb -0.05 -1.55 -0.05 0.00 -0.71 0.00 0.00 33.22 30.86 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 -1.17 0.51 0.15 0.03 1.03 -1.26 -1.62 119.66 117.32 1x5f s GLN 76 Ca 0.10 0.11 -0.11 0.00 0.04 0.00 0.00 55.36 55.50 1x5f s GLN 76 Cb 0.08 0.24 0.01 0.00 0.03 0.00 0.00 33.01 33.37 1x5f s GLN 76 CO 0.03 -0.16 0.32 0.54 -2.54 0.00 0.00 175.29 173.48 1x5f s VAL 77 N -1.15 0.08 -0.08 3.63 0.11 -1.09 -4.94 120.40 116.95 1x5f s VAL 77 Ca 0.00 -1.11 0.02 0.00 -2.93 0.00 0.00 61.98 57.96 1x5f s VAL 77 Cb -0.01 -1.58 -0.02 0.00 -1.53 0.00 0.00 36.38 33.25 1x5f s VAL 77 CO -0.00 -0.35 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.38 1x5f s THR 78 N -3.90 3.00 -0.47 5.04 2.01 -1.26 -1.31 115.64 118.74 1x5f s THR 78 Ca 0.11 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 1x5f s THR 78 Cb 0.03 -2.21 0.12 0.00 0.01 0.00 0.00 72.50 70.46 1x5f s THR 78 CO -0.05 0.56 0.26 -0.63 -0.69 0.00 0.00 174.62 174.08 1x5f s ILE 79 N -0.25 3.28 0.76 1.82 -1.09 -1.06 -4.99 121.20 119.69 1x5f s ILE 79 Ca 0.01 -2.41 -0.05 0.00 -2.23 0.00 0.00 60.65 55.97 1x5f s ILE 79 Cb -0.13 -3.23 0.16 0.00 -1.58 0.00 0.00 42.46 37.68 1x5f s ILE 79 CO 0.03 -0.74 1.04 0.00 -1.23 0.00 0.00 174.94 174.04 1x5f n GLN 80 N 4.16 -0.41 -3.03 2.79 6.02 -1.26 -2.48 117.38 123.17 1x5f n GLN 80 Ca 0.02 -2.42 -0.13 0.00 -0.01 0.00 0.00 57.00 54.46 1x5f n GLN 80 Cb 0.40 -0.82 0.06 0.00 1.02 0.00 0.00 30.24 30.89 1x5f n GLN 80 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x5f n ASN 81 N -3.17 -2.58 -4.54 1.08 4.13 -1.10 -4.93 115.26 104.15 1x5f n ASN 81 Ca 0.16 -0.41 -0.26 0.00 1.68 0.00 0.00 54.58 55.75 1x5f n ASN 81 Cb 0.56 -3.66 -0.11 0.00 -1.54 0.00 0.00 39.78 35.03 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 -5.05 2.72 -0.12 3.41 1.43 -0.69 -5.04 118.68 115.33 1x5f s LEU 82 Ca 0.08 -1.21 -0.05 0.00 -1.03 0.00 0.00 54.13 51.91 1x5f s LEU 82 Cb -0.03 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1x5f s LEU 82 CO 0.50 -0.24 0.08 -0.32 0.23 0.00 0.00 176.35 176.60 1x5f s MET 83 N -3.63 3.39 0.72 1.70 -2.45 -1.26 -4.50 119.30 113.26 1x5f s MET 83 Ca 0.32 -0.27 -0.13 0.00 -1.25 0.00 0.00 55.69 54.37 1x5f s MET 83 Cb 0.03 -3.06 0.03 0.00 1.25 0.00 0.00 34.83 33.09 1x5f s MET 83 CO 0.16 0.66 1.10 -1.25 1.05 0.00 0.00 175.02 176.74 1x5f s PRO 84 N -0.71 2.50 -1.66 4.11 0.04 -0.86 -3.55 135.00 134.87 1x5f s PRO 84 Ca 0.12 1.27 -0.17 0.00 0.04 0.00 0.00 61.00 62.26 1x5f s PRO 84 Cb -0.12 -1.92 0.14 0.00 0.04 0.00 0.00 34.50 32.64 1x5f s PRO 84 CO 0.03 -1.47 0.84 0.00 0.04 0.00 0.00 177.00 176.43 1x5f n ALA 85 N -3.02 -1.25 -3.70 8.56 0.00 -1.14 -4.87 120.51 115.09 1x5f n ALA 85 Ca 0.10 0.05 -0.19 0.00 0.00 0.00 0.00 53.44 53.40 1x5f n ALA 85 Cb 0.53 -3.76 -0.17 0.00 0.00 0.00 0.00 19.45 16.04 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 -0.04 0.55 0.00 2.01 -1.23 -4.91 115.64 108.75 1x5f s THR 86 Ca 0.73 0.34 -0.20 0.00 0.31 0.00 0.00 61.69 62.86 1x5f s THR 86 Cb -0.39 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 1x5f s THR 86 CO 0.89 0.16 1.22 -0.69 -0.69 0.00 0.00 174.62 175.52 1x5f s VAL 87 N 1.84 2.68 -0.12 3.82 1.01 -1.26 -3.32 120.40 125.05 1x5f s VAL 87 Ca 0.01 0.46 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 1x5f s VAL 87 Cb -0.12 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 33.10 1x5f s VAL 87 CO -0.03 -0.06 0.28 -0.31 0.00 0.00 0.00 175.10 174.98 1x5f s TYR 88 N -1.54 -0.37 -0.45 5.22 2.02 0.93 -3.86 117.35 119.30 1x5f s TYR 88 Ca 0.73 0.87 -0.21 0.00 -0.37 0.00 0.00 57.07 58.08 1x5f s TYR 88 Cb -0.31 0.10 0.03 0.00 -0.40 0.00 0.00 41.96 41.37 1x5f s TYR 88 CO 0.35 -0.24 0.67 0.42 -1.57 0.00 0.00 175.55 175.19 1x5f s ILE 89 N 1.09 4.79 -0.05 2.71 -1.09 -0.08 -1.70 121.20 126.88 1x5f s ILE 89 Ca -0.08 0.12 -0.10 0.00 -2.23 0.00 0.00 60.65 58.36 1x5f s ILE 89 Cb -0.09 -4.24 -0.05 0.00 -1.58 0.00 0.00 42.46 36.51 1x5f s ILE 89 CO -0.08 -0.64 0.28 -0.36 -1.23 0.00 0.00 174.94 172.91 1x5f s PHE 90 N 2.90 3.66 -0.08 3.97 0.40 -0.13 -2.64 117.98 126.06 1x5f s PHE 90 Ca 0.23 0.75 -0.00 0.00 -0.60 0.00 0.00 56.93 57.31 1x5f s PHE 90 Cb -0.14 -2.11 0.02 0.00 0.51 0.00 0.00 43.02 41.31 1x5f s PHE 90 CO 0.19 0.68 -0.04 1.03 0.70 0.00 0.00 175.22 177.78 1x5f s ARG 91 N -1.15 1.05 0.13 0.44 0.52 0.13 -0.29 118.95 119.77 1x5f s ARG 91 Ca 0.21 -0.09 -0.02 0.00 -0.52 0.00 0.00 55.73 55.31 1x5f s ARG 91 Cb -0.14 -1.20 -0.05 0.00 0.52 0.00 0.00 34.95 34.08 1x5f s ARG 91 CO 0.10 -0.23 0.32 0.08 0.02 0.00 0.00 175.30 175.59 1x5f s VAL 92 N 1.63 5.25 -0.02 3.52 1.01 -1.26 -0.34 120.40 130.19 1x5f s VAL 92 Ca 0.01 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 1x5f s VAL 92 Cb -0.13 -3.65 0.06 0.00 0.00 0.00 0.00 36.38 32.66 1x5f s VAL 92 CO -0.05 0.02 0.63 -0.32 0.00 0.00 0.00 175.10 175.38 1x5f s MET 93 N -2.77 1.05 0.17 2.72 0.00 -0.30 0.54 119.30 120.71 1x5f s MET 93 Ca 0.38 0.10 0.03 0.00 0.00 0.00 0.00 55.69 56.20 1x5f s MET 93 Cb -0.12 0.49 -0.03 0.00 0.00 0.00 0.00 34.83 35.16 1x5f s MET 93 CO 0.27 -0.35 0.27 0.00 0.00 0.00 0.00 175.02 175.21 1x5f s ALA 94 N -1.60 3.90 -0.08 4.11 0.00 -1.26 0.16 121.76 126.99 1x5f s ALA 94 Ca -0.09 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 50.73 1x5f s ALA 94 Cb -0.01 -1.70 0.04 0.00 0.00 0.00 0.00 23.12 21.45 1x5f s ALA 94 CO 0.06 0.48 0.16 -0.65 0.00 0.00 0.00 175.76 175.80 1x5f s GLN 95 N -3.36 0.06 0.23 0.00 -0.21 0.24 -2.90 119.66 113.72 1x5f s GLN 95 Ca 0.34 0.47 0.00 0.00 0.02 0.00 0.00 55.36 56.19 1x5f s GLN 95 Cb -0.10 -0.23 -0.00 0.00 1.00 0.00 0.00 33.01 33.68 1x5f s GLN 95 CO 0.28 -0.24 0.00 0.27 -2.12 0.00 0.00 175.29 173.48 1x5f n ASN 96 N 4.79 2.52 0.17 5.90 0.23 -1.09 0.55 115.26 128.33 1x5f n ASN 96 Ca -0.15 -2.00 0.13 0.00 -0.53 0.00 0.00 54.58 52.02 1x5f n ASN 96 Cb 0.51 0.18 0.37 0.00 -2.08 0.00 0.00 39.78 38.76 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 -2.02 -1.48 116.57 111.34 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 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 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 -1.93 -3.51 115.15 113.64 1x5f h HIS 98 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1x5f h HIS 98 Cb 1.85 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.32 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 -0.61 3.62 2.45 0.00 -0.56 -5.10 105.19 106.93 1x5f n GLY 99 Ca -0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 6.73 0.00 1.61 1.04 -1.26 -2.68 113.70 115.14 1x5f s SER 100 Ca 0.00 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1x5f s SER 100 Cb 0.00 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1x5f s SER 100 CO 0.00 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1x5f n GLY 101 N 4.09 0.79 3.82 7.32 0.00 -1.14 -4.97 105.19 115.09 1x5f n GLY 101 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 0.65 3.88 -0.26 1.61 2.12 -1.17 -4.99 118.70 120.54 1x5f s GLU 102 Ca 0.00 0.21 -0.22 0.00 0.36 0.00 0.00 54.97 55.33 1x5f s GLU 102 Cb 0.00 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 31.12 1x5f s GLU 102 CO 0.00 0.60 0.70 -1.12 -0.54 0.00 0.00 175.26 174.90 1x5f s SER 103 N -0.69 6.64 1.03 -1.70 0.01 -1.26 -2.63 113.70 115.11 1x5f s SER 103 Ca 0.20 0.76 -0.16 0.00 1.31 0.00 0.00 55.95 58.06 1x5f s SER 103 Cb -0.15 -2.37 0.11 0.00 0.21 0.00 0.00 66.02 63.83 1x5f s SER 103 CO 0.09 -0.44 0.04 -0.24 0.41 0.00 0.00 173.24 173.10 1x5f n SER 104 N 5.86 -2.80 -4.78 2.44 2.88 0.19 -4.90 113.62 112.51 1x5f n SER 104 Ca 0.01 -0.27 -0.36 0.00 -1.33 0.00 0.00 58.87 56.92 1x5f n SER 104 Cb 0.48 -0.79 -0.01 0.00 -0.75 0.00 0.00 64.21 63.14 1x5f n SER 104 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x5f s ALA 105 N -2.11 2.89 -0.09 -1.46 0.00 -1.26 -4.62 121.76 115.10 1x5f s ALA 105 Ca 0.41 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.92 1x5f s ALA 105 Cb -0.06 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1x5f s ALA 105 CO 0.46 -0.60 1.52 -1.25 0.00 0.00 0.00 175.76 175.89 1x5f s PRO 106 N -2.91 4.19 -0.21 0.00 0.04 -1.26 -4.61 135.00 130.23 1x5f s PRO 106 Ca 0.66 2.00 -0.16 0.00 0.04 0.00 0.00 61.00 63.55 1x5f s PRO 106 Cb -0.25 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 1x5f s PRO 106 CO 0.30 -0.81 0.40 -1.17 0.04 0.00 0.00 177.00 175.76 1x5f s LEU 107 N 3.89 4.14 -0.57 -3.56 2.96 0.60 -4.89 118.68 121.24 1x5f s LEU 107 Ca 0.67 0.49 -0.21 0.00 -0.22 0.00 0.00 54.13 54.86 1x5f s LEU 107 Cb -0.29 -2.51 0.06 0.00 0.50 0.00 0.00 46.19 43.95 1x5f s LEU 107 CO 0.25 -0.10 0.82 -0.60 -1.32 0.00 0.00 176.35 175.40 1x5f s ARG 108 N 1.44 3.16 0.22 1.98 3.52 -1.26 -0.95 118.95 127.06 1x5f s ARG 108 Ca 0.19 -0.76 0.08 0.00 -0.13 0.00 0.00 55.73 55.11 1x5f s ARG 108 Cb -0.15 -4.15 -0.04 0.00 -1.56 0.00 0.00 34.95 29.05 1x5f s ARG 108 CO 0.08 -1.51 0.01 0.08 -0.81 0.00 0.00 175.30 173.15 1x5f s VAL 109 N 3.41 3.61 -0.05 7.11 1.01 -0.69 -4.96 120.40 129.85 1x5f s VAL 109 Ca 0.21 -1.66 -0.00 0.00 0.00 0.00 0.00 61.98 60.52 1x5f s VAL 109 Cb -0.17 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.35 1x5f s VAL 109 CO 0.13 -0.25 -0.00 -0.70 0.00 0.00 0.00 175.10 174.28 1x5f s GLU 110 N -3.34 0.46 1.15 2.72 2.12 -1.26 -0.05 118.70 120.51 1x5f s GLU 110 Ca 0.29 0.09 -0.19 0.00 0.36 0.00 0.00 54.97 55.52 1x5f s GLU 110 Cb -0.08 -0.72 0.27 0.00 0.26 0.00 0.00 34.13 33.86 1x5f s GLU 110 CO 0.19 -0.20 1.17 0.95 -0.54 0.00 0.00 175.26 176.83 1x5f s THR 111 N 1.45 1.69 0.04 -1.70 -4.23 -1.21 -4.94 115.64 106.74 1x5f s THR 111 Ca -0.03 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.50 1x5f s THR 111 Cb -0.13 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 1x5f s THR 111 CO -0.03 0.00 0.01 -1.10 -0.54 0.00 0.00 174.62 172.96 1x5f s GLN 112 N -5.55 2.71 -0.23 3.99 -0.21 -1.26 -3.69 119.66 115.43 1x5f s GLN 112 Ca 0.72 -0.70 -0.29 0.00 0.02 0.00 0.00 55.36 55.11 1x5f s GLN 112 Cb -0.08 -2.63 -0.03 0.00 1.00 0.00 0.00 33.01 31.28 1x5f s GLN 112 CO 0.55 0.59 1.62 -1.25 -2.12 0.00 0.00 175.29 174.68 1x5f s PRO 113 N -1.93 3.78 -0.40 2.91 0.04 -1.26 -2.88 135.00 135.26 1x5f s PRO 113 Ca 0.23 1.64 0.06 0.00 0.04 0.00 0.00 61.00 62.96 1x5f s PRO 113 Cb -0.12 -4.04 0.55 0.00 0.04 0.00 0.00 34.50 30.94 1x5f s PRO 113 CO 0.15 -1.32 1.68 -0.85 0.04 0.00 0.00 177.00 176.70 1x5f n GLU 114 N 7.69 2.21 -0.02 4.56 -0.00 -1.26 -4.60 120.64 129.22 1x5f n GLU 114 Ca 0.19 -3.22 -0.04 0.00 -0.00 0.00 0.00 57.16 54.09 1x5f n GLU 114 Cb 0.45 -2.04 -0.01 0.00 -0.00 0.00 0.00 31.44 29.84 1x5f n GLU 114 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1x5f n SER 115 N -1.08 1.39 -4.81 -1.84 2.88 -1.26 -5.04 113.62 103.86 1x5f n SER 115 Ca 0.47 0.22 -0.33 0.00 -1.33 0.00 0.00 58.87 57.90 1x5f n SER 115 Cb 1.21 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 64.15 1x5f n SER 115 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5f s GLY 116 N -4.33 2.10 -0.44 0.46 0.00 -1.26 -4.96 107.32 98.89 1x5f s GLY 116 Ca -0.14 0.35 -0.28 0.00 0.00 0.00 0.00 44.72 44.65 1x5f s GLY 116 CO 0.21 0.66 1.76 2.56 0.00 0.00 0.00 173.10 178.28 1x5f s PRO 117 N -4.11 3.13 -1.21 2.90 0.04 -1.26 -4.93 135.00 129.56 1x5f s PRO 117 Ca 0.63 1.08 -0.15 0.00 0.04 0.00 0.00 61.00 62.59 1x5f s PRO 117 Cb -0.15 -4.24 0.15 0.00 0.04 0.00 0.00 34.50 30.30 1x5f s PRO 117 CO 0.37 -2.11 1.48 -1.12 0.04 0.00 0.00 177.00 175.66 1x5f s SER 118 N 6.44 7.01 -0.29 6.66 0.01 -1.26 -4.97 113.70 127.29 1x5f s SER 118 Ca 0.73 -2.84 -0.28 0.00 1.31 0.00 0.00 55.95 54.86 1x5f s SER 118 Cb -0.18 -2.44 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1x5f s SER 118 CO 0.29 -0.85 1.91 -0.55 0.41 0.00 0.00 173.24 174.45 1x5f s SER 119 N 3.16 5.80 0.00 2.44 0.15 -1.26 -5.25 113.70 118.73 1x5f s SER 119 Ca 0.45 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.59 1x5f s SER 119 Cb -0.01 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1x5f s SER 119 CO 0.01 -1.75 0.00 0.61 1.20 0.00 0.00 173.24 173.31