#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 0.14 0.39 1.61 0.01 -1.26 -5.18 113.70 109.42 1x5f s SER 2 Ca 0.00 -0.97 0.08 0.00 1.31 0.00 0.00 55.95 56.37 1x5f s SER 2 Cb 0.00 0.38 -0.01 0.00 0.21 0.00 0.00 66.02 66.59 1x5f s SER 2 CO 0.00 -0.82 0.41 -0.94 0.41 0.00 0.00 173.24 172.30 1x5f s SER 3 N -2.98 5.31 0.37 2.44 1.04 -1.26 -5.14 113.70 113.49 1x5f s SER 3 Ca 0.18 -0.57 -0.11 0.00 0.48 0.00 0.00 55.95 55.93 1x5f s SER 3 Cb 0.05 -0.74 0.04 0.00 0.10 0.00 0.00 66.02 65.47 1x5f s SER 3 CO -0.00 -0.59 0.68 -0.83 0.98 0.00 0.00 173.24 173.48 1x5f s GLY 4 N -4.15 0.79 -0.11 7.32 0.00 -1.26 -5.16 107.32 104.75 1x5f s GLY 4 Ca 0.48 -1.04 -0.02 0.00 0.00 0.00 0.00 44.72 44.13 1x5f s GLY 4 CO 0.29 -0.56 0.03 -0.56 0.00 0.00 0.00 173.10 172.30 1x5f s SER 5 N -3.14 1.96 0.53 1.64 0.01 -1.26 -5.15 113.70 108.30 1x5f s SER 5 Ca 0.21 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1x5f s SER 5 Cb -0.03 -0.40 0.02 0.00 0.21 0.00 0.00 66.02 65.82 1x5f s SER 5 CO 0.15 -0.26 0.76 -0.44 0.41 0.00 0.00 173.24 173.86 1x5f s SER 6 N 2.01 5.45 0.00 2.44 0.01 -1.26 -5.11 113.70 117.24 1x5f s SER 6 Ca 0.03 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1x5f s SER 6 Cb -0.14 -1.14 0.00 0.00 0.21 0.00 0.00 66.02 64.95 1x5f s SER 6 CO -0.06 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.18 1x5f n GLY 7 N -2.30 1.64 3.56 3.44 0.00 -1.26 -5.08 105.19 105.19 1x5f n GLY 7 Ca 0.06 0.33 -0.27 0.00 0.00 0.00 0.00 46.02 46.14 1x5f n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5f s GLU 8 N 0.00 2.22 -0.25 1.61 0.41 -1.26 -4.89 118.70 116.54 1x5f s GLU 8 Ca 0.00 0.43 -0.02 0.00 -0.41 0.00 0.00 54.97 54.97 1x5f s GLU 8 Cb 0.00 -4.75 0.08 0.00 -1.78 0.00 0.00 34.13 27.67 1x5f s GLU 8 CO 0.00 -3.53 0.05 -1.01 -0.49 0.00 0.00 175.26 170.29 1x5f s HIS 9 N 11.59 1.41 -0.14 1.61 3.76 -1.26 -5.12 115.29 127.14 1x5f s HIS 9 Ca 0.81 -1.30 -0.03 0.00 -0.15 0.00 0.00 55.06 54.39 1x5f s HIS 9 Cb -0.12 -1.35 -0.03 0.00 1.11 0.00 0.00 32.58 32.20 1x5f s HIS 9 CO 0.11 -0.74 -0.06 0.00 -0.85 0.00 0.00 174.74 173.20 1x5f s ALA 10 N 1.72 2.93 0.66 -1.40 0.00 -1.26 -5.11 121.76 119.30 1x5f s ALA 10 Ca 0.03 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 1x5f s ALA 10 Cb -0.17 -1.46 -0.00 0.00 0.00 0.00 0.00 23.12 21.48 1x5f s ALA 10 CO -0.16 0.26 1.11 -1.25 0.00 0.00 0.00 175.76 175.72 1x5f s PRO 11 N 0.25 2.81 -0.30 0.00 0.04 -1.26 -5.06 135.00 131.48 1x5f s PRO 11 Ca -0.04 1.39 -0.08 0.00 0.04 0.00 0.00 61.00 62.31 1x5f s PRO 11 Cb -0.14 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.63 1x5f s PRO 11 CO 0.03 -1.25 0.90 0.00 0.04 0.00 0.00 177.00 176.73 1x5f s ALA 12 N -2.34 -3.20 0.26 8.56 0.00 -1.26 -5.15 121.76 118.63 1x5f s ALA 12 Ca 0.67 1.45 -0.29 0.00 0.00 0.00 0.00 51.96 53.79 1x5f s ALA 12 Cb -0.20 -2.51 -0.09 0.00 0.00 0.00 0.00 23.12 20.31 1x5f s ALA 12 CO 0.42 -1.62 1.19 0.95 0.00 0.00 0.00 175.76 176.70 1x5f s THR 13 N 2.92 3.30 -0.34 0.00 -4.23 -1.26 -5.02 115.64 111.01 1x5f s THR 13 Ca 0.11 1.23 -0.00 0.00 -1.18 0.00 0.00 61.69 61.84 1x5f s THR 13 Cb -0.09 -3.78 0.11 0.00 1.34 0.00 0.00 72.50 70.07 1x5f s THR 13 CO -0.18 0.26 0.13 0.42 -0.54 0.00 0.00 174.62 174.72 1x5f s THR 14 N -0.78 0.92 0.41 3.99 -4.23 -1.26 -5.09 115.64 109.60 1x5f s THR 14 Ca 0.49 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1x5f s THR 14 Cb -0.34 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 71.81 1x5f s THR 14 CO 0.43 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1x5f n GLY 15 N 4.55 -2.69 3.77 3.99 0.00 -1.26 -4.88 105.19 108.67 1x5f n GLY 15 Ca 0.01 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.25 2.72 0.13 1.61 0.04 -1.26 -5.06 135.00 129.94 1x5f s PRO 16 Ca 0.00 1.36 0.06 0.00 0.04 0.00 0.00 61.00 62.46 1x5f s PRO 16 Cb 0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1x5f s PRO 16 CO 0.00 -1.31 -0.02 -0.51 0.04 0.00 0.00 177.00 175.20 1x5f s LEU 17 N -5.02 3.30 0.00 -3.56 1.43 -1.26 -4.97 118.68 108.60 1x5f s LEU 17 Ca 0.66 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1x5f s LEU 17 Cb -0.20 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1x5f s LEU 17 CO 0.44 0.14 0.00 -0.81 0.23 0.00 0.00 176.35 176.34 1x5f n PRO 18 N 0.28 -0.48 -4.42 1.29 -0.04 -1.26 -4.92 135.00 125.45 1x5f n PRO 18 Ca -0.11 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.14 1x5f n PRO 18 Cb 0.53 0.00 -0.14 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 1.76 0.71 3.54 0.15 -1.26 -3.47 113.70 113.62 1x5f s SER 19 Ca 0.00 -0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.05 1x5f s SER 19 Cb 0.00 -0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.15 1x5f s SER 19 CO 0.00 0.06 0.66 0.00 1.20 0.00 0.00 173.24 175.17 1x5f n ALA 20 N 1.99 -1.08 -1.23 5.45 0.00 -0.92 -4.63 120.51 120.08 1x5f n ALA 20 Ca -0.17 -0.21 -0.30 0.00 0.00 0.00 0.00 53.44 52.76 1x5f n ALA 20 Cb 0.55 -1.93 0.12 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.88 1.60 0.52 0.00 0.04 -1.26 -4.56 135.00 128.46 1x5f s PRO 21 Ca 0.68 0.93 0.05 0.00 0.04 0.00 0.00 61.00 62.70 1x5f s PRO 21 Cb -0.36 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.36 1x5f s PRO 21 CO 0.55 -2.03 0.29 1.03 0.04 0.00 0.00 177.00 176.88 1x5f s ARG 22 N -4.93 2.24 -1.47 4.56 1.81 -1.22 -4.70 118.95 115.24 1x5f s ARG 22 Ca 0.63 -2.08 -0.11 0.00 -1.72 0.00 0.00 55.73 52.44 1x5f s ARG 22 Cb -0.18 -1.96 0.06 0.00 -0.45 0.00 0.00 34.95 32.43 1x5f s ARG 22 CO 0.57 -0.50 0.88 -0.25 -0.68 0.00 0.00 175.30 175.31 1x5f n ASP 23 N -1.59 -5.15 -4.56 0.23 9.92 -1.26 -0.29 116.55 113.86 1x5f n ASP 23 Ca -0.06 -0.60 -0.39 0.00 -0.53 0.00 0.00 54.79 53.22 1x5f n ASP 23 Cb 0.65 -4.12 -0.03 0.00 -0.64 0.00 0.00 41.12 36.98 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 -3.22 3.38 0.36 2.53 1.01 -1.26 -4.05 120.40 119.16 1x5f s VAL 24 Ca 0.55 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.82 1x5f s VAL 24 Cb -0.27 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1x5f s VAL 24 CO 0.68 -0.87 0.13 0.68 0.00 0.00 0.00 175.10 175.72 1x5f s VAL 25 N 8.77 0.58 -0.39 2.92 -7.23 0.35 -4.99 120.40 120.42 1x5f s VAL 25 Ca 0.68 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 1x5f s VAL 25 Cb -0.13 -2.46 0.09 0.00 0.56 0.00 0.00 36.38 34.43 1x5f s VAL 25 CO 0.22 0.00 0.17 0.00 -0.31 0.00 0.00 175.10 175.18 1x5f s ALA 26 N -3.34 3.10 0.53 1.32 0.00 -1.26 0.23 121.76 122.34 1x5f s ALA 26 Ca 0.29 -2.28 0.26 0.00 0.00 0.00 0.00 51.96 50.24 1x5f s ALA 26 Cb 0.04 -2.35 1.40 0.00 0.00 0.00 0.00 23.12 22.21 1x5f s ALA 26 CO 0.16 -1.65 1.97 1.03 0.00 0.00 0.00 175.76 177.27 1x5f h SER 27 N 8.11 0.02 -4.95 0.00 0.87 -1.13 -3.43 113.55 113.03 1x5f h SER 27 Ca -0.17 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.36 1x5f h SER 27 Cb 1.06 -0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.85 1x5f h SER 27 CO 0.67 0.01 0.22 -0.22 -0.53 0.00 0.00 176.83 176.98 1x5f s LEU 28 N -8.73 -0.61 -0.33 2.23 0.20 -1.09 -4.97 118.68 105.38 1x5f s LEU 28 Ca -0.05 0.45 0.02 0.00 0.69 0.00 0.00 54.13 55.24 1x5f s LEU 28 Cb 0.20 2.52 0.10 0.00 -0.43 0.00 0.00 46.19 48.58 1x5f s LEU 28 CO 0.74 -0.71 0.08 -0.69 -0.29 0.00 0.00 176.35 175.48 1x5f s VAL 29 N -2.07 1.58 0.60 1.68 1.01 -1.26 0.95 120.40 122.90 1x5f s VAL 29 Ca -0.06 -1.91 -0.06 0.00 0.00 0.00 0.00 61.98 59.95 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 0.91 -0.55 0.00 0.00 0.00 175.10 174.83 1x5f s SER 30 N 1.22 5.54 0.35 3.32 0.15 0.19 -4.56 113.70 119.91 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 -1.67 0.41 0.00 -1.71 0.00 0.00 66.02 62.87 1x5f s SER 30 CO -0.16 -1.11 1.61 0.71 1.20 0.00 0.00 173.24 175.49 1x5f h THR 31 N -0.22 0.72 -0.01 6.45 1.35 -1.96 -3.25 112.91 116.01 1x5f h THR 31 Ca -0.45 -1.73 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 1x5f h THR 31 Cb 1.26 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.82 1x5f h THR 31 CO 0.61 0.37 -0.05 0.54 -0.25 0.00 0.00 175.52 176.73 1x5f n ARG 32 N -3.31 0.98 -3.79 4.72 1.74 -1.26 -2.04 116.66 113.71 1x5f n ARG 32 Ca 0.01 -0.64 -0.08 0.00 -0.77 0.00 0.00 57.85 56.37 1x5f n ARG 32 Cb 0.60 -1.02 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 -0.01 -2.23 -3.69 -1.55 1.16 -1.22 -1.36 117.46 108.56 1x5f n PHE 33 Ca 0.03 -1.78 -0.10 0.00 -1.87 0.00 0.00 57.45 53.73 1x5f n PHE 33 Cb 0.12 0.89 -0.11 0.00 -1.61 0.00 0.00 39.48 38.77 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 -0.19 -0.11 1.97 1.01 -0.94 0.56 121.20 121.40 1x5f s ILE 34 Ca 0.17 0.13 -0.26 0.00 0.00 0.00 0.00 60.65 60.69 1x5f s ILE 34 Cb -0.05 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 1x5f s ILE 34 CO 0.11 0.05 0.83 -0.75 0.00 0.00 0.00 174.94 175.19 1x5f s LYS 35 N 1.73 4.38 0.17 2.79 2.47 0.27 -2.32 119.74 129.23 1x5f s LYS 35 Ca -0.07 1.07 0.06 0.00 -1.56 0.00 0.00 55.97 55.47 1x5f s LYS 35 Cb -0.10 -3.52 -0.04 0.00 -1.46 0.00 0.00 37.83 32.71 1x5f s LYS 35 CO -0.12 -0.18 0.07 -0.51 0.16 0.00 0.00 175.35 174.77 1x5f s LEU 36 N 1.61 3.58 -0.22 5.43 2.01 -0.09 -0.66 118.68 130.33 1x5f s LEU 36 Ca 0.41 -0.25 -0.11 0.00 0.01 0.00 0.00 54.13 54.19 1x5f s LEU 36 Cb -0.18 -2.21 0.08 0.00 0.01 0.00 0.00 46.19 43.90 1x5f s LEU 36 CO 0.17 0.08 0.52 0.42 1.01 0.00 0.00 176.35 178.55 1x5f s THR 37 N -1.74 -0.28 0.20 5.49 -4.23 0.14 -2.43 115.64 112.80 1x5f s THR 37 Ca 0.29 0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.86 1x5f s THR 37 Cb -0.10 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 1x5f s THR 37 CO 0.21 0.03 0.15 -1.66 -0.54 0.00 0.00 174.62 172.82 1x5f s TRP 38 N 1.92 1.11 0.51 3.99 -2.14 -0.66 -0.49 118.94 123.17 1x5f s TRP 38 Ca -0.08 -1.34 0.06 0.00 2.66 0.00 0.00 56.10 57.41 1x5f s TRP 38 Cb -0.09 -0.51 0.06 0.00 -3.10 0.00 0.00 33.47 29.83 1x5f s TRP 38 CO -0.16 -0.67 0.52 2.89 -2.66 0.00 0.00 176.95 176.88 1x5f n ARG 39 N -0.28 0.71 -2.34 3.25 1.85 0.61 -4.69 116.66 115.76 1x5f n ARG 39 Ca 0.02 -2.99 -0.38 0.00 -1.00 0.00 0.00 57.85 53.50 1x5f n ARG 39 Cb 0.66 0.10 -0.02 0.00 -1.05 0.00 0.00 32.46 32.14 1x5f n ARG 39 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1x5f s THR 40 N -2.38 3.24 0.63 8.89 -4.23 -1.26 -3.44 115.64 117.09 1x5f s THR 40 Ca 0.40 1.05 -0.16 0.00 -1.18 0.00 0.00 61.69 61.80 1x5f s THR 40 Cb -0.03 -3.59 -0.01 0.00 1.34 0.00 0.00 72.50 70.20 1x5f s THR 40 CO 0.25 0.10 1.11 -2.16 -0.54 0.00 0.00 174.62 173.39 1x5f s PRO 41 N -2.24 2.93 0.44 3.99 0.04 -1.13 -4.28 135.00 134.74 1x5f s PRO 41 Ca 0.56 1.44 0.12 0.00 0.04 0.00 0.00 61.00 63.16 1x5f s PRO 41 Cb -0.30 -1.96 1.02 0.00 0.04 0.00 0.00 34.50 33.30 1x5f s PRO 41 CO 0.38 -1.16 2.03 0.00 0.04 0.00 0.00 177.00 178.29 1x5f h ALA 42 N 0.29 1.93 -0.00 8.56 0.00 -1.85 -2.18 119.26 126.01 1x5f h ALA 42 Ca -0.47 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.22 1x5f h ALA 42 Cb 1.25 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.96 1x5f h ALA 42 CO 0.55 -0.01 -0.79 0.77 0.00 0.00 0.00 179.25 179.76 1x5f h SER 43 N 0.39 0.70 -3.80 0.00 0.02 -1.92 -3.40 113.55 105.54 1x5f h SER 43 Ca 0.20 -0.75 -0.69 0.00 -0.84 0.00 0.00 61.79 59.71 1x5f h SER 43 Cb 0.30 -0.21 -0.35 0.00 0.14 0.00 0.00 62.40 62.27 1x5f h SER 43 CO -0.05 1.36 -0.47 -1.81 -1.14 0.00 0.00 176.83 174.72 1x5f s ASP 44 N -6.98 5.23 0.11 3.07 1.01 -0.82 -4.93 116.67 113.35 1x5f s ASP 44 Ca -0.12 -2.43 0.18 0.00 0.71 0.00 0.00 52.55 50.89 1x5f s ASP 44 Cb 0.05 -1.84 0.76 0.00 1.01 0.00 0.00 42.92 42.91 1x5f s ASP 44 CO 0.87 -0.46 1.56 -0.81 0.21 0.00 0.00 175.17 176.54 1x5f n PRO 45 N 4.06 0.08 -0.02 8.23 -0.04 -1.21 -2.86 135.00 143.24 1x5f n PRO 45 Ca 0.02 0.33 -0.01 0.00 -0.04 0.00 0.00 63.50 63.80 1x5f n PRO 45 Cb 0.39 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.81 0.00 -2.98 0.54 8.25 -1.26 -4.90 115.22 113.06 1x5f n HIS 46 Ca 0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.28 1x5f n HIS 46 Cb 0.19 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.04 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 2.51 -0.22 0.03 -1.41 0.00 -1.16 -4.67 105.19 100.27 1x5f n GLY 47 Ca -0.06 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.96 0.19 -1.66 1.61 2.03 -1.26 -3.95 116.55 112.55 1x5f n ASP 48 Ca 0.06 0.07 -0.12 0.00 0.52 0.00 0.00 54.79 55.32 1x5f n ASP 48 Cb 0.25 1.65 0.21 0.00 -0.72 0.00 0.00 41.12 42.51 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 -2.35 3.29 -3.73 1.67 2.04 -1.26 -4.61 115.26 110.31 1x5f n ASN 49 Ca -0.03 -3.62 -0.12 0.00 -0.44 0.00 0.00 54.58 50.37 1x5f n ASN 49 Cb 0.57 -0.72 -0.10 0.00 -2.53 0.00 0.00 39.78 36.99 1x5f n ASN 49 CO 0.00 0.00 0.00 -1.48 -0.44 0.00 0.00 177.26 175.34 1x5f s LEU 50 N -3.22 0.37 0.65 -4.53 0.05 -1.26 -4.46 118.68 106.28 1x5f s LEU 50 Ca 0.50 0.81 -0.08 0.00 0.05 0.00 0.00 54.13 55.42 1x5f s LEU 50 Cb 0.44 1.33 0.02 0.00 -2.05 0.00 0.00 46.19 45.93 1x5f s LEU 50 CO 0.06 -0.15 0.98 -0.89 -0.55 0.00 0.00 176.35 175.80 1x5f s THR 51 N 0.49 3.30 -0.14 5.48 2.01 0.18 -2.37 115.64 124.60 1x5f s THR 51 Ca -0.02 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1x5f s THR 51 Cb -0.04 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.13 1x5f s THR 51 CO -0.03 -0.40 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.05 1x5f s TYR 52 N -3.15 2.15 -0.13 4.92 2.02 -1.26 0.89 117.35 122.79 1x5f s TYR 52 Ca 0.56 -1.18 -0.07 0.00 -0.37 0.00 0.00 57.07 56.01 1x5f s TYR 52 Cb -0.11 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 39.83 1x5f s TYR 52 CO 0.47 -0.64 0.12 -1.12 -1.57 0.00 0.00 175.55 172.81 1x5f s SER 53 N 1.41 6.24 -0.28 2.29 0.01 0.88 -2.78 113.70 121.47 1x5f s SER 53 Ca 0.03 0.39 -0.00 0.00 1.31 0.00 0.00 55.95 57.68 1x5f s SER 53 Cb -0.13 -2.02 0.05 0.00 0.21 0.00 0.00 66.02 64.13 1x5f s SER 53 CO -0.09 0.36 -0.04 -0.69 0.41 0.00 0.00 173.24 173.19 1x5f s VAL 54 N -0.74 2.72 -0.31 3.43 1.01 -1.13 -1.18 120.40 124.20 1x5f s VAL 54 Ca 0.13 -1.44 -0.14 0.00 0.00 0.00 0.00 61.98 60.53 1x5f s VAL 54 Cb -0.12 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1x5f s VAL 54 CO 0.03 -0.06 0.32 -0.36 0.00 0.00 0.00 175.10 175.03 1x5f s PHE 55 N 1.21 3.22 0.05 5.22 0.40 -0.14 -1.90 117.98 126.05 1x5f s PHE 55 Ca -0.06 0.11 0.07 0.00 -0.60 0.00 0.00 56.93 56.45 1x5f s PHE 55 Cb -0.20 -2.57 -0.03 0.00 0.51 0.00 0.00 43.02 40.73 1x5f s PHE 55 CO -0.03 -0.32 -0.17 1.52 0.70 0.00 0.00 175.22 176.92 1x5f s TYR 56 N 1.96 2.57 -0.28 0.36 1.13 -0.74 -1.04 117.35 121.32 1x5f s TYR 56 Ca 0.11 -0.24 -0.18 0.00 -1.41 0.00 0.00 57.07 55.35 1x5f s TYR 56 Cb -0.16 -1.45 0.09 0.00 -1.10 0.00 0.00 41.96 39.33 1x5f s TYR 56 CO 0.11 0.28 0.74 -0.08 -2.51 0.00 0.00 175.55 174.09 1x5f s THR 57 N -0.97 0.00 0.31 -3.49 -1.32 -1.10 -1.13 115.64 107.94 1x5f s THR 57 Ca 0.15 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.34 1x5f s THR 57 Cb -0.11 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.77 1x5f s THR 57 CO 0.06 0.00 1.55 1.17 -2.21 0.00 0.00 174.62 175.19 1x5f n LYS 58 N 3.87 2.63 -1.70 7.08 4.81 -1.26 -1.90 118.16 131.69 1x5f n LYS 58 Ca -0.18 0.93 -0.61 0.00 -0.87 0.00 0.00 58.31 57.57 1x5f n LYS 58 Cb 0.58 -2.69 -0.08 0.00 0.02 0.00 0.00 35.03 32.86 1x5f n LYS 58 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1x5f n GLU 59 N 1.73 0.67 0.00 1.64 0.00 -1.26 -0.69 120.64 122.73 1x5f n GLU 59 Ca 0.07 0.24 0.00 0.00 0.00 0.00 0.00 57.16 57.47 1x5f n GLU 59 Cb 0.37 -1.86 0.00 0.00 0.00 0.00 0.00 31.44 29.94 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 4.37 3.06 3.68 8.31 0.00 -1.26 -5.05 105.19 118.30 1x5f n GLY 60 Ca 0.30 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 2.19 -1.15 -0.61 2.08 0.13 -4.90 119.36 117.10 1x5f n ILE 61 Ca 0.00 -0.50 -0.12 0.00 0.56 0.00 0.00 62.75 62.69 1x5f n ILE 61 Cb 0.00 -1.47 0.25 0.00 -0.75 0.00 0.00 39.64 37.67 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 0.10 4.90 -3.75 -1.39 0.00 -1.26 -4.74 120.51 114.35 1x5f n ALA 62 Ca 0.06 -2.63 -0.26 0.00 0.00 0.00 0.00 53.44 50.60 1x5f n ALA 62 Cb 0.37 -1.26 -0.17 0.00 0.00 0.00 0.00 19.45 18.39 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 -3.13 0.69 0.22 0.00 0.52 -1.26 -5.14 118.95 110.85 1x5f s ARG 63 Ca 0.55 -0.29 0.09 0.00 -0.52 0.00 0.00 55.73 55.56 1x5f s ARG 63 Cb 0.45 -1.82 -0.04 0.00 0.52 0.00 0.00 34.95 34.06 1x5f s ARG 63 CO 0.11 -0.54 -0.06 -1.83 0.02 0.00 0.00 175.30 173.00 1x5f s GLU 64 N 1.88 2.14 -0.07 3.54 1.03 -1.26 -4.64 118.70 121.32 1x5f s GLU 64 Ca 0.01 -1.36 0.04 0.00 0.03 0.00 0.00 54.97 53.69 1x5f s GLU 64 Cb -0.16 -2.14 -0.02 0.00 -0.80 0.00 0.00 34.13 31.02 1x5f s GLU 64 CO -0.07 0.40 -0.18 1.03 -1.33 0.00 0.00 175.26 175.10 1x5f s ARG 65 N -3.24 2.66 -0.04 -4.83 3.00 -0.28 -4.87 118.95 111.35 1x5f s ARG 65 Ca 0.28 -0.78 -0.11 0.00 0.00 0.00 0.00 55.73 55.12 1x5f s ARG 65 Cb -0.08 -2.33 -0.05 0.00 0.00 0.00 0.00 34.95 32.50 1x5f s ARG 65 CO 0.17 0.46 0.29 0.54 0.00 0.00 0.00 175.30 176.76 1x5f s VAL 66 N -0.33 5.25 -0.24 3.52 0.11 -1.26 -1.79 120.40 125.66 1x5f s VAL 66 Ca 0.02 0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 59.56 1x5f s VAL 66 Cb -0.13 -3.57 0.07 0.00 -1.53 0.00 0.00 36.38 31.23 1x5f s VAL 66 CO 0.02 0.56 0.03 -0.70 -3.33 0.00 0.00 175.10 171.68 1x5f s GLU 67 N -1.17 1.01 -0.04 1.54 -6.30 -0.80 -4.90 118.70 108.03 1x5f s GLU 67 Ca 0.21 -0.84 -0.30 0.00 -2.50 0.00 0.00 54.97 51.54 1x5f s GLU 67 Cb -0.14 -2.27 -0.04 0.00 0.00 0.00 0.00 34.13 31.67 1x5f s GLU 67 CO 0.10 -0.74 1.28 -0.80 0.02 0.00 0.00 175.26 175.12 1x5f s ASN 68 N 1.61 6.97 0.10 -1.70 0.01 -1.26 -2.83 114.94 117.84 1x5f s ASN 68 Ca 0.01 1.91 -0.35 0.00 -0.71 0.00 0.00 52.86 53.72 1x5f s ASN 68 Cb -0.18 -2.56 -0.15 0.00 0.41 0.00 0.00 41.25 38.78 1x5f s ASN 68 CO -0.12 -0.64 1.51 0.35 -1.51 0.00 0.00 177.10 176.69 1x5f n THR 69 N 4.68 0.05 -0.56 1.60 -2.24 -1.12 -4.75 114.28 111.95 1x5f n THR 69 Ca 0.12 -0.01 0.42 0.00 -2.27 0.00 0.00 64.05 62.31 1x5f n THR 69 Cb 0.45 -1.28 0.66 0.00 -2.10 0.00 0.00 70.33 68.07 1x5f n THR 69 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1x5f n SER 70 N 3.36 0.03 -3.96 3.42 7.64 -1.26 -4.23 113.62 118.63 1x5f n SER 70 Ca 0.18 0.87 -0.10 0.00 1.01 0.00 0.00 58.87 60.84 1x5f n SER 70 Cb 0.25 -0.43 -0.11 0.00 -1.01 0.00 0.00 64.21 62.90 1x5f n SER 70 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1x5f s HIS 71 N -4.59 0.20 0.01 1.43 3.76 -1.26 -5.13 115.29 109.71 1x5f s HIS 71 Ca -0.04 -0.42 -0.30 0.00 -0.15 0.00 0.00 55.06 54.14 1x5f s HIS 71 Cb 0.23 -0.15 -0.06 0.00 1.11 0.00 0.00 32.58 33.71 1x5f s HIS 71 CO 0.73 -0.16 1.44 -1.25 -0.85 0.00 0.00 174.74 174.64 1x5f s PRO 72 N -1.21 4.27 0.00 8.40 0.04 -1.26 -2.74 135.00 142.51 1x5f s PRO 72 Ca -0.13 2.02 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1x5f s PRO 72 Cb -0.08 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.88 1x5f s PRO 72 CO -0.01 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.84 1x5f n GLY 73 N 3.70 3.10 3.61 0.56 0.00 -1.00 -4.86 105.19 110.31 1x5f n GLY 73 Ca 0.14 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.18 0.23 -0.08 1.61 2.13 -1.11 -4.77 120.64 117.48 1x5f n GLU 74 Ca 0.00 0.08 0.02 0.00 0.66 0.00 0.00 57.16 57.92 1x5f n GLU 74 Cb 0.00 -1.64 0.05 0.00 0.27 0.00 0.00 31.44 30.12 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 5.24 1.34 -3.72 5.31 2.81 -1.26 -4.77 117.12 122.06 1x5f n MET 75 Ca 0.36 -0.44 -0.13 0.00 -1.81 0.00 0.00 57.70 55.69 1x5f n MET 75 Cb -0.01 -1.19 -0.10 0.00 -0.71 0.00 0.00 33.22 31.21 1x5f n MET 75 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1x5f s GLN 76 N -1.74 0.50 0.08 0.03 -0.21 -1.26 -1.65 119.66 115.40 1x5f s GLN 76 Ca 0.08 0.63 -0.06 0.00 0.02 0.00 0.00 55.36 56.03 1x5f s GLN 76 Cb 0.05 0.21 -0.01 0.00 1.00 0.00 0.00 33.01 34.26 1x5f s GLN 76 CO 0.05 -0.07 0.12 0.54 -2.12 0.00 0.00 175.29 173.81 1x5f s VAL 77 N 0.38 0.16 -0.06 1.09 0.11 -1.02 -4.93 120.40 116.13 1x5f s VAL 77 Ca -0.01 -1.39 0.04 0.00 -2.93 0.00 0.00 61.98 57.69 1x5f s VAL 77 Cb -0.04 -1.42 -0.02 0.00 -1.53 0.00 0.00 36.38 33.37 1x5f s VAL 77 CO -0.01 -0.74 -0.19 -0.89 -3.33 0.00 0.00 175.10 169.93 1x5f s THR 78 N -3.89 2.57 -0.47 5.04 2.01 -1.26 -0.92 115.64 118.72 1x5f s THR 78 Ca 0.06 -0.88 -0.00 0.00 0.31 0.00 0.00 61.69 61.18 1x5f s THR 78 Cb 0.06 -1.98 0.13 0.00 0.01 0.00 0.00 72.50 70.71 1x5f s THR 78 CO -0.10 0.57 0.25 -0.63 -0.69 0.00 0.00 174.62 174.01 1x5f s ILE 79 N -0.30 3.08 0.69 1.82 -1.09 -0.98 -4.98 121.20 119.43 1x5f s ILE 79 Ca 0.01 -2.57 -0.04 0.00 -2.23 0.00 0.00 60.65 55.82 1x5f s ILE 79 Cb -0.13 -3.11 0.14 0.00 -1.58 0.00 0.00 42.46 37.79 1x5f s ILE 79 CO 0.03 -0.74 0.94 0.00 -1.23 0.00 0.00 174.94 173.93 1x5f n GLN 80 N 3.97 -0.34 -3.13 2.79 6.02 -1.26 -2.23 117.38 123.21 1x5f n GLN 80 Ca 0.03 -2.15 -0.14 0.00 -0.01 0.00 0.00 57.00 54.73 1x5f n GLN 80 Cb 0.39 -0.75 0.06 0.00 1.02 0.00 0.00 30.24 30.96 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 -3.52 -4.62 1.08 3.02 -1.01 -4.91 115.26 102.13 1x5f n ASN 81 Ca 0.14 -0.41 -0.26 0.00 -0.03 0.00 0.00 54.58 54.02 1x5f n ASN 81 Cb 0.50 -3.71 -0.10 0.00 -0.61 0.00 0.00 39.78 35.86 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 -5.23 2.89 -0.11 3.41 1.43 -0.46 -5.04 118.68 115.56 1x5f s LEU 82 Ca 0.20 -1.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.07 1x5f s LEU 82 Cb -0.09 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 1x5f s LEU 82 CO 0.51 -0.35 0.01 -0.32 0.23 0.00 0.00 176.35 176.44 1x5f s MET 83 N -3.71 3.26 0.76 1.70 -2.45 -1.26 -4.50 119.30 113.10 1x5f s MET 83 Ca 0.35 -0.40 -0.11 0.00 -1.25 0.00 0.00 55.69 54.28 1x5f s MET 83 Cb 0.05 -2.90 0.05 0.00 1.25 0.00 0.00 34.83 33.28 1x5f s MET 83 CO 0.18 0.57 1.09 -1.25 1.05 0.00 0.00 175.02 176.67 1x5f s PRO 84 N -0.51 2.33 -1.22 4.11 0.04 -0.87 -3.47 135.00 135.42 1x5f s PRO 84 Ca 0.09 1.20 -0.05 0.00 0.04 0.00 0.00 61.00 62.28 1x5f s PRO 84 Cb -0.12 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1x5f s PRO 84 CO 0.02 -1.59 0.30 0.00 0.04 0.00 0.00 177.00 175.77 1x5f n ALA 85 N -3.36 -0.94 -3.70 8.56 0.00 -1.21 -4.88 120.51 114.98 1x5f n ALA 85 Ca 0.09 0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.46 1x5f n ALA 85 Cb 0.53 -2.38 -0.17 0.00 0.00 0.00 0.00 19.45 17.42 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 -2.83 -0.08 0.84 0.00 2.01 -1.23 -4.90 115.64 109.45 1x5f s THR 86 Ca 0.22 0.37 -0.12 0.00 0.31 0.00 0.00 61.69 62.47 1x5f s THR 86 Cb -0.11 -0.14 0.10 0.00 0.01 0.00 0.00 72.50 72.35 1x5f s THR 86 CO 0.27 0.16 1.16 0.68 -0.69 0.00 0.00 174.62 176.20 1x5f s VAL 87 N 1.88 2.34 -0.18 3.82 -7.23 -1.26 -3.46 120.40 116.30 1x5f s VAL 87 Ca 0.01 0.13 -0.06 0.00 -1.81 0.00 0.00 61.98 60.25 1x5f s VAL 87 Cb -0.12 -2.38 0.09 0.00 0.56 0.00 0.00 36.38 34.52 1x5f s VAL 87 CO -0.03 -0.13 0.35 -0.31 -0.31 0.00 0.00 175.10 174.68 1x5f s TYR 88 N -2.49 -0.66 -0.63 2.82 2.02 0.31 -4.15 117.35 114.58 1x5f s TYR 88 Ca 0.68 1.21 -0.28 0.00 -0.37 0.00 0.00 57.07 58.32 1x5f s TYR 88 Cb -0.24 0.13 0.02 0.00 -0.40 0.00 0.00 41.96 41.47 1x5f s TYR 88 CO 0.54 -0.47 1.35 0.42 -1.57 0.00 0.00 175.55 175.82 1x5f s ILE 89 N 2.53 3.79 -0.05 2.71 -1.09 -0.80 -2.71 121.20 125.58 1x5f s ILE 89 Ca 0.01 0.62 -0.13 0.00 -2.23 0.00 0.00 60.65 58.91 1x5f s ILE 89 Cb -0.13 -4.63 -0.05 0.00 -1.58 0.00 0.00 42.46 36.07 1x5f s ILE 89 CO -0.12 -1.41 0.35 -0.36 -1.23 0.00 0.00 174.94 172.17 1x5f s PHE 90 N 5.89 3.65 -0.10 3.97 0.40 -0.23 -2.73 117.98 128.83 1x5f s PHE 90 Ca 0.46 0.84 -0.01 0.00 -0.60 0.00 0.00 56.93 57.61 1x5f s PHE 90 Cb -0.09 -2.25 0.03 0.00 0.51 0.00 0.00 43.02 41.22 1x5f s PHE 90 CO 0.22 0.57 -0.00 1.03 0.70 0.00 0.00 175.22 177.73 1x5f s ARG 91 N -0.72 0.73 -0.06 0.44 0.52 -0.21 -1.07 118.95 118.58 1x5f s ARG 91 Ca 0.21 -0.02 -0.12 0.00 -0.52 0.00 0.00 55.73 55.28 1x5f s ARG 91 Cb -0.15 -1.23 -0.05 0.00 0.52 0.00 0.00 34.95 34.04 1x5f s ARG 91 CO 0.10 -0.35 0.32 0.08 0.02 0.00 0.00 175.30 175.46 1x5f s VAL 92 N 1.92 5.21 -0.07 3.52 1.01 -1.26 -0.96 120.40 129.77 1x5f s VAL 92 Ca 0.04 0.62 -0.06 0.00 0.00 0.00 0.00 61.98 62.57 1x5f s VAL 92 Cb -0.13 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1x5f s VAL 92 CO -0.06 0.55 0.19 -0.32 0.00 0.00 0.00 175.10 175.46 1x5f s MET 93 N -0.77 0.22 0.48 2.72 0.00 -0.33 -0.43 119.30 121.18 1x5f s MET 93 Ca 0.20 0.28 -0.09 0.00 0.00 0.00 0.00 55.69 56.08 1x5f s MET 93 Cb -0.15 0.09 -0.05 0.00 0.00 0.00 0.00 34.83 34.72 1x5f s MET 93 CO 0.09 -0.04 0.83 0.00 0.00 0.00 0.00 175.02 175.90 1x5f s ALA 94 N 0.18 3.32 -0.11 4.11 0.00 -1.26 -0.08 121.76 127.92 1x5f s ALA 94 Ca -0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 1x5f s ALA 94 Cb -0.02 -2.74 0.05 0.00 0.00 0.00 0.00 23.12 20.42 1x5f s ALA 94 CO -0.00 -0.28 0.22 -0.65 0.00 0.00 0.00 175.76 175.04 1x5f s GLN 95 N -4.47 0.11 0.51 0.00 -0.21 0.26 -3.07 119.66 112.79 1x5f s GLN 95 Ca 0.51 0.63 0.00 0.00 0.02 0.00 0.00 55.36 56.52 1x5f s GLN 95 Cb -0.10 -0.13 -0.00 0.00 1.00 0.00 0.00 33.01 33.77 1x5f s GLN 95 CO 0.41 -0.27 0.01 0.27 -2.12 0.00 0.00 175.29 173.60 1x5f n ASN 96 N 5.10 3.24 -0.38 5.90 0.23 -1.09 0.48 115.26 128.74 1x5f n ASN 96 Ca -0.10 -3.27 0.35 0.00 -0.53 0.00 0.00 54.58 51.03 1x5f n ASN 96 Cb 0.50 0.43 0.54 0.00 -2.08 0.00 0.00 39.78 39.17 1x5f n ASN 96 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1x5f n LYS 97 N -1.26 0.01 0.00 -3.83 2.85 -1.26 -1.11 118.16 113.55 1x5f n LYS 97 Ca -0.20 0.95 0.00 0.00 -1.05 0.00 0.00 58.31 58.01 1x5f n LYS 97 Cb 0.66 -2.30 0.00 0.00 -0.65 0.00 0.00 35.03 32.73 1x5f n LYS 97 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1x5f n HIS 98 N -3.34 0.00 0.00 5.58 8.25 -1.26 -5.09 115.22 119.36 1x5f n HIS 98 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 1x5f n HIS 98 Cb 1.58 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 32.31 1x5f n HIS 98 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x5f n GLY 99 N 1.14 -0.70 3.57 -1.41 0.00 -0.27 -5.09 105.19 102.44 1x5f n GLY 99 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1x5f n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5f s SER 100 N -4.00 6.29 0.00 1.61 0.01 -1.26 -2.68 113.70 113.67 1x5f s SER 100 Ca 0.00 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1x5f s SER 100 Cb 0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1x5f s SER 100 CO 0.00 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.88 1x5f n GLY 101 N 4.76 0.82 3.87 3.44 0.00 -1.17 -4.97 105.19 111.94 1x5f n GLY 101 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 0.52 3.71 -0.17 1.61 2.12 -1.23 -4.97 118.70 120.30 1x5f s GLU 102 Ca 0.00 0.11 -0.14 0.00 0.36 0.00 0.00 54.97 55.30 1x5f s GLU 102 Cb 0.00 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.29 1x5f s GLU 102 CO 0.00 0.61 0.30 -1.12 -0.54 0.00 0.00 175.26 174.51 1x5f s SER 103 N -1.65 6.42 1.23 -1.70 0.01 -1.26 -2.17 113.70 114.58 1x5f s SER 103 Ca 0.30 0.49 -0.16 0.00 1.31 0.00 0.00 55.95 57.88 1x5f s SER 103 Cb -0.14 -2.18 0.27 0.00 0.21 0.00 0.00 66.02 64.18 1x5f s SER 103 CO 0.16 0.08 0.75 -1.54 0.41 0.00 0.00 173.24 173.10 1x5f n SER 104 N 3.70 -2.47 -4.76 2.44 3.41 0.42 -4.87 113.62 111.50 1x5f n SER 104 Ca -0.12 -0.33 -0.37 0.00 -0.26 0.00 0.00 58.87 57.80 1x5f n SER 104 Cb 0.52 -1.12 0.02 0.00 -0.26 0.00 0.00 64.21 63.37 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 -2.29 2.74 -0.29 7.33 0.00 -1.26 -4.63 121.76 123.37 1x5f s ALA 105 Ca 0.65 1.07 -0.29 0.00 0.00 0.00 0.00 51.96 53.39 1x5f s ALA 105 Cb -0.20 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1x5f s ALA 105 CO 0.63 -1.07 1.65 -1.25 0.00 0.00 0.00 175.76 175.73 1x5f s PRO 106 N -3.04 3.60 -0.13 0.00 0.04 -1.26 -4.70 135.00 129.50 1x5f s PRO 106 Ca 0.72 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 63.04 1x5f s PRO 106 Cb -0.32 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.09 1x5f s PRO 106 CO 0.37 -1.54 0.57 -1.17 0.04 0.00 0.00 177.00 175.27 1x5f s LEU 107 N 5.85 4.25 -0.51 -3.56 2.96 -0.23 -4.87 118.68 122.56 1x5f s LEU 107 Ca 0.73 0.90 -0.18 0.00 -0.22 0.00 0.00 54.13 55.35 1x5f s LEU 107 Cb -0.22 -2.83 0.07 0.00 0.50 0.00 0.00 46.19 43.70 1x5f s LEU 107 CO 0.31 -0.10 0.60 -0.60 -1.32 0.00 0.00 176.35 175.24 1x5f s ARG 108 N 1.04 3.09 -0.15 1.98 3.52 -1.26 -1.07 118.95 126.09 1x5f s ARG 108 Ca 0.29 -1.04 -0.01 0.00 -0.13 0.00 0.00 55.73 54.84 1x5f s ARG 108 Cb -0.16 -4.13 -0.01 0.00 -1.56 0.00 0.00 34.95 29.08 1x5f s ARG 108 CO 0.12 -1.24 -0.10 0.08 -0.81 0.00 0.00 175.30 173.35 1x5f s VAL 109 N 2.46 3.22 -0.24 7.11 1.01 -1.10 -4.91 120.40 127.95 1x5f s VAL 109 Ca 0.13 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1x5f s VAL 109 Cb -0.21 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1x5f s VAL 109 CO 0.10 0.50 0.09 -0.70 0.00 0.00 0.00 175.10 175.09 1x5f s GLU 110 N 0.56 3.75 1.31 2.72 2.12 -1.26 -0.53 118.70 127.38 1x5f s GLU 110 Ca -0.07 -0.43 -0.22 0.00 0.36 0.00 0.00 54.97 54.62 1x5f s GLU 110 Cb -0.15 -3.36 0.33 0.00 0.26 0.00 0.00 34.13 31.20 1x5f s GLU 110 CO 0.03 -0.12 1.05 0.95 -0.54 0.00 0.00 175.26 176.63 1x5f s THR 111 N 1.46 1.38 -0.07 -1.70 -4.23 -1.22 -4.93 115.64 106.32 1x5f s THR 111 Ca 0.06 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1x5f s THR 111 Cb -0.15 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1x5f s THR 111 CO 0.05 0.00 0.06 -1.10 -0.54 0.00 0.00 174.62 173.08 1x5f s GLN 112 N -5.38 3.11 -0.78 3.99 -1.52 -1.26 -3.72 119.66 114.11 1x5f s GLN 112 Ca 0.71 -0.36 -0.25 0.00 -1.95 0.00 0.00 55.36 53.51 1x5f s GLN 112 Cb -0.09 -2.91 -0.04 0.00 -0.22 0.00 0.00 33.01 29.76 1x5f s GLN 112 CO 0.56 0.71 1.91 -1.25 -0.25 0.00 0.00 175.29 176.97 1x5f s PRO 113 N -1.14 2.59 0.21 2.91 0.04 -1.26 -3.33 135.00 135.02 1x5f s PRO 113 Ca 0.16 0.09 -0.30 0.00 0.04 0.00 0.00 61.00 60.99 1x5f s PRO 113 Cb -0.12 -4.78 -0.08 0.00 0.04 0.00 0.00 34.50 29.57 1x5f s PRO 113 CO 0.06 -3.10 0.97 -1.83 0.04 0.00 0.00 177.00 173.13 1x5f s GLU 114 N 7.02 4.79 -1.22 4.56 4.04 -1.26 -3.89 118.70 132.74 1x5f s GLU 114 Ca 0.69 1.52 -0.01 0.00 0.04 0.00 0.00 54.97 57.20 1x5f s GLU 114 Cb -0.09 -3.29 0.01 0.00 0.02 0.00 0.00 34.13 30.78 1x5f s GLU 114 CO 0.08 0.41 0.03 0.45 -1.84 0.00 0.00 175.26 174.39 1x5f n SER 115 N 1.79 0.59 0.00 0.83 2.88 -1.26 -4.52 113.62 113.93 1x5f n SER 115 Ca -0.01 -0.99 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 1x5f n SER 115 Cb 0.47 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 1x5f n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5f n GLY 116 N -2.14 0.67 3.63 0.46 0.00 -1.25 -4.69 105.19 101.86 1x5f n GLY 116 Ca -0.23 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 1x5f n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5f s PRO 117 N 0.00 -0.44 0.49 1.61 0.04 -1.26 -5.03 135.00 130.40 1x5f s PRO 117 Ca 0.00 0.22 -0.13 0.00 0.04 0.00 0.00 61.00 61.13 1x5f s PRO 117 Cb 0.00 -1.66 -0.06 0.00 0.04 0.00 0.00 34.50 32.81 1x5f s PRO 117 CO 0.00 -3.25 0.90 -1.12 0.04 0.00 0.00 177.00 173.57 1x5f s SER 118 N -3.66 6.50 0.04 6.66 0.01 -1.26 -5.02 113.70 116.97 1x5f s SER 118 Ca 0.68 1.34 -0.04 0.00 1.31 0.00 0.00 55.95 59.25 1x5f s SER 118 Cb -0.14 -2.42 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 1x5f s SER 118 CO 0.57 -0.56 -0.07 -1.20 0.41 0.00 0.00 173.24 172.39 1x5f n SER 119 N -1.69 1.23 0.00 2.44 7.64 -1.26 -5.27 113.62 116.70 1x5f n SER 119 Ca 0.04 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1x5f n SER 119 Cb 0.54 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1x5f n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64