#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 3.26 0.11 1.61 1.04 -1.26 -5.11 113.70 113.36 1x5f s SER 2 Ca 0.00 -0.72 -0.07 0.00 0.48 0.00 0.00 55.95 55.64 1x5f s SER 2 Cb 0.00 -1.49 -0.01 0.00 0.10 0.00 0.00 66.02 64.62 1x5f s SER 2 CO 0.00 -0.02 0.18 -0.44 0.98 0.00 0.00 173.24 173.94 1x5f s SER 3 N 1.27 0.16 0.00 7.02 0.01 -1.26 -5.09 113.70 115.82 1x5f s SER 3 Ca 0.04 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1x5f s SER 3 Cb -0.14 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1x5f s SER 3 CO -0.12 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.38 1x5f n GLY 4 N -0.09 -0.89 0.18 3.44 0.00 -1.26 -4.97 105.19 101.61 1x5f n GLY 4 Ca -0.12 0.46 -0.17 0.00 0.00 0.00 0.00 46.02 46.19 1x5f n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x5f h SER 5 N 0.00 0.73 -4.94 1.61 0.02 -1.99 -3.48 113.55 105.50 1x5f h SER 5 Ca 0.00 -0.68 -0.30 0.00 -0.84 0.00 0.00 61.79 59.97 1x5f h SER 5 Cb 0.00 -0.22 0.12 0.00 0.14 0.00 0.00 62.40 62.44 1x5f h SER 5 CO 0.00 1.30 -0.57 -0.24 -1.14 0.00 0.00 176.83 176.17 1x5f n SER 6 N -4.10 -4.39 0.00 3.07 2.88 -1.26 -4.39 113.62 105.43 1x5f n SER 6 Ca -0.09 -0.46 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 1x5f n SER 6 Cb 0.69 -4.20 0.00 0.00 -0.75 0.00 0.00 64.21 59.95 1x5f n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5f n GLY 7 N -1.52 1.93 3.90 0.46 0.00 -1.26 -4.84 105.19 103.86 1x5f n GLY 7 Ca -0.07 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 1x5f n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x5f s GLU 8 N 0.00 3.59 0.32 1.61 2.12 -1.26 -5.11 118.70 119.98 1x5f s GLU 8 Ca 0.00 0.23 0.06 0.00 0.36 0.00 0.00 54.97 55.61 1x5f s GLU 8 Cb 0.00 -2.40 -0.06 0.00 0.26 0.00 0.00 34.13 31.92 1x5f s GLU 8 CO 0.00 -0.13 -0.00 -3.38 -0.54 0.00 0.00 175.26 171.20 1x5f s HIS 9 N -2.61 2.08 0.01 5.30 -3.43 -1.26 -5.01 115.29 110.37 1x5f s HIS 9 Ca 0.48 -0.79 -0.19 0.00 -0.80 0.00 0.00 55.06 53.77 1x5f s HIS 9 Cb -0.10 -1.31 -0.06 0.00 -1.43 0.00 0.00 32.58 29.68 1x5f s HIS 9 CO 0.41 0.22 0.53 0.00 -2.00 0.00 0.00 174.74 173.90 1x5f s ALA 10 N -3.05 3.57 1.12 -1.38 0.00 -1.26 -5.08 121.76 115.68 1x5f s ALA 10 Ca 0.33 -0.05 -0.16 0.00 0.00 0.00 0.00 51.96 52.08 1x5f s ALA 10 Cb 0.07 -2.62 0.25 0.00 0.00 0.00 0.00 23.12 20.82 1x5f s ALA 10 CO 0.15 0.30 1.10 -1.25 0.00 0.00 0.00 175.76 176.05 1x5f s PRO 11 N -0.62 -0.56 -1.00 0.00 0.04 -1.26 -4.02 135.00 127.58 1x5f s PRO 11 Ca 0.28 0.18 -0.10 0.00 0.04 0.00 0.00 61.00 61.39 1x5f s PRO 11 Cb -0.18 -1.65 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1x5f s PRO 11 CO 0.16 -3.32 0.20 0.00 0.04 0.00 0.00 177.00 174.07 1x5f n ALA 12 N -4.53 -1.89 -1.50 8.56 0.00 -1.26 -4.74 120.51 115.15 1x5f n ALA 12 Ca 0.09 -0.35 -0.35 0.00 0.00 0.00 0.00 53.44 52.83 1x5f n ALA 12 Cb 0.59 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.92 1x5f n ALA 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x5f n THR 13 N -3.69 4.39 -4.01 0.00 -2.24 -1.26 -4.86 114.28 102.61 1x5f n THR 13 Ca -0.17 -3.03 -0.09 0.00 -2.27 0.00 0.00 64.05 58.49 1x5f n THR 13 Cb 0.46 -2.30 -0.08 0.00 -2.10 0.00 0.00 70.33 66.30 1x5f n THR 13 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1x5f s THR 14 N 0.67 0.11 0.00 4.28 -1.32 -1.26 -5.14 115.64 112.98 1x5f s THR 14 Ca 0.64 -1.56 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 1x5f s THR 14 Cb 0.21 -1.75 0.00 0.00 -1.51 0.00 0.00 72.50 69.45 1x5f s THR 14 CO -0.08 -0.52 0.00 0.61 -2.21 0.00 0.00 174.62 172.43 1x5f n GLY 15 N -0.10 5.53 3.77 6.08 0.00 -1.26 -5.14 105.19 114.07 1x5f n GLY 15 Ca -0.09 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 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 1.37 3.87 0.11 1.61 0.04 -1.26 -5.05 135.00 135.69 1x5f s PRO 16 Ca 0.00 1.82 0.03 0.00 0.04 0.00 0.00 61.00 62.89 1x5f s PRO 16 Cb 0.00 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1x5f s PRO 16 CO 0.00 -0.47 0.16 -0.51 0.04 0.00 0.00 177.00 176.22 1x5f s LEU 17 N -2.80 4.04 0.00 -3.56 1.43 -1.26 -4.98 118.68 111.55 1x5f s LEU 17 Ca 0.61 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 1x5f s LEU 17 Cb -0.30 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.26 1x5f s LEU 17 CO 0.37 0.13 0.00 -0.81 0.23 0.00 0.00 176.35 176.27 1x5f n PRO 18 N 0.06 -0.70 -4.45 1.29 -0.04 -1.26 -4.96 135.00 124.94 1x5f n PRO 18 Ca -0.07 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.18 1x5f n PRO 18 Cb 0.53 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.83 1x5f n PRO 18 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5f s SER 19 N -1.51 1.35 0.72 3.54 0.01 -1.26 -3.83 113.70 112.71 1x5f s SER 19 Ca 0.00 -0.21 -0.17 0.00 1.31 0.00 0.00 55.95 56.87 1x5f s SER 19 Cb 0.00 -0.37 -0.14 0.00 0.21 0.00 0.00 66.02 65.72 1x5f s SER 19 CO 0.00 0.08 -0.37 0.00 0.41 0.00 0.00 173.24 173.36 1x5f n ALA 20 N 3.28 -3.99 -1.15 1.44 0.00 -1.12 -4.62 120.51 114.35 1x5f n ALA 20 Ca -0.18 -0.32 -0.29 0.00 0.00 0.00 0.00 53.44 52.66 1x5f n ALA 20 Cb 0.54 -1.32 0.19 0.00 0.00 0.00 0.00 19.45 18.85 1x5f n ALA 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x5f s PRO 21 N -1.50 0.20 0.52 0.00 0.04 -1.26 -4.57 135.00 128.44 1x5f s PRO 21 Ca 0.50 0.44 0.02 0.00 0.04 0.00 0.00 61.00 62.01 1x5f s PRO 21 Cb -0.36 -1.72 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1x5f s PRO 21 CO 0.73 -2.87 0.07 1.03 0.04 0.00 0.00 177.00 176.00 1x5f s ARG 22 N -4.99 2.21 -1.47 4.56 1.81 -1.22 -4.77 118.95 115.07 1x5f s ARG 22 Ca 0.66 -2.34 -0.07 0.00 -1.72 0.00 0.00 55.73 52.26 1x5f s ARG 22 Cb -0.18 -1.63 0.05 0.00 -0.45 0.00 0.00 34.95 32.74 1x5f s ARG 22 CO 0.58 -0.41 0.70 -0.25 -0.68 0.00 0.00 175.30 175.23 1x5f n ASP 23 N -1.36 -2.25 -4.59 0.23 8.00 -1.26 -0.21 116.55 115.11 1x5f n ASP 23 Ca -0.16 -0.90 -0.42 0.00 0.71 0.00 0.00 54.79 54.01 1x5f n ASP 23 Cb 0.67 -3.45 -0.02 0.00 -0.02 0.00 0.00 41.12 38.29 1x5f n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1x5f s VAL 24 N -3.59 3.77 0.29 2.53 1.01 -1.26 -4.00 120.40 119.14 1x5f s VAL 24 Ca 0.32 0.72 0.04 0.00 0.00 0.00 0.00 61.98 63.06 1x5f s VAL 24 Cb -0.16 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1x5f s VAL 24 CO 0.86 -0.89 0.22 0.68 0.00 0.00 0.00 175.10 175.97 1x5f s VAL 25 N 6.11 0.04 -0.37 2.92 -7.23 0.28 -4.99 120.40 117.16 1x5f s VAL 25 Ca 0.60 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.73 1x5f s VAL 25 Cb -0.13 -2.50 0.08 0.00 0.56 0.00 0.00 36.38 34.39 1x5f s VAL 25 CO 0.29 0.00 0.15 0.00 -0.31 0.00 0.00 175.10 175.23 1x5f s ALA 26 N -3.68 3.07 0.49 1.32 0.00 -1.26 0.20 121.76 121.90 1x5f s ALA 26 Ca 0.39 -2.19 0.21 0.00 0.00 0.00 0.00 51.96 50.37 1x5f s ALA 26 Cb 0.04 -2.31 1.26 0.00 0.00 0.00 0.00 23.12 22.12 1x5f s ALA 26 CO 0.22 -1.59 1.99 1.03 0.00 0.00 0.00 175.76 177.41 1x5f h SER 27 N 8.11 0.13 -5.00 0.00 0.87 -1.22 -3.43 113.55 113.00 1x5f h SER 27 Ca -0.18 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.32 1x5f h SER 27 Cb 1.06 -0.02 -0.18 0.00 -0.44 0.00 0.00 62.40 62.82 1x5f h SER 27 CO 0.65 0.07 0.08 -0.22 -0.53 0.00 0.00 176.83 176.88 1x5f s LEU 28 N -8.98 -0.26 -0.35 2.23 0.20 -1.04 -4.98 118.68 105.50 1x5f s LEU 28 Ca -0.06 0.41 0.02 0.00 0.69 0.00 0.00 54.13 55.19 1x5f s LEU 28 Cb 0.20 2.24 0.11 0.00 -0.43 0.00 0.00 46.19 48.30 1x5f s LEU 28 CO 0.74 -0.65 0.11 -0.69 -0.29 0.00 0.00 176.35 175.56 1x5f s VAL 29 N -1.78 1.62 0.59 1.68 1.01 -1.26 0.12 120.40 122.37 1x5f s VAL 29 Ca -0.09 -2.04 -0.06 0.00 0.00 0.00 0.00 61.98 59.79 1x5f s VAL 29 Cb -0.01 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.19 1x5f s VAL 29 CO 0.04 -0.68 0.91 -0.55 0.00 0.00 0.00 175.10 174.82 1x5f s SER 30 N 1.06 5.62 0.25 3.32 0.15 0.17 -4.57 113.70 119.69 1x5f s SER 30 Ca 0.12 0.76 0.12 0.00 0.70 0.00 0.00 55.95 57.64 1x5f s SER 30 Cb -0.19 -1.76 0.20 0.00 -1.71 0.00 0.00 66.02 62.56 1x5f s SER 30 CO -0.14 -1.06 1.51 0.71 1.20 0.00 0.00 173.24 175.46 1x5f h THR 31 N -0.19 1.34 -0.01 6.45 1.35 -1.96 -3.24 112.91 116.65 1x5f h THR 31 Ca -0.45 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 62.98 1x5f h THR 31 Cb 1.25 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 1x5f h THR 31 CO 0.61 0.66 -0.18 0.54 -0.25 0.00 0.00 175.52 176.90 1x5f n ARG 32 N -3.53 1.69 -3.71 4.72 1.74 -1.26 -2.13 116.66 114.18 1x5f n ARG 32 Ca -0.00 -0.77 -0.08 0.00 -0.77 0.00 0.00 57.85 56.22 1x5f n ARG 32 Cb 0.71 -1.15 0.03 0.00 -1.02 0.00 0.00 32.46 31.03 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 -0.02 -2.26 -3.69 -1.55 1.16 -1.22 -1.24 117.46 108.64 1x5f n PHE 33 Ca 0.05 -1.76 -0.11 0.00 -1.87 0.00 0.00 57.45 53.76 1x5f n PHE 33 Cb 0.25 0.88 -0.11 0.00 -1.61 0.00 0.00 39.48 38.89 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 -2.12 -0.24 -0.13 1.97 1.01 -0.92 0.43 121.20 121.20 1x5f s ILE 34 Ca 0.16 0.15 -0.26 0.00 0.00 0.00 0.00 60.65 60.70 1x5f s ILE 34 Cb -0.05 -0.57 -0.02 0.00 0.01 0.00 0.00 42.46 41.84 1x5f s ILE 34 CO 0.11 0.06 0.85 -0.75 0.00 0.00 0.00 174.94 175.21 1x5f s LYS 35 N 1.83 4.35 0.18 2.79 2.47 0.31 -2.29 119.74 129.39 1x5f s LYS 35 Ca -0.06 1.08 0.06 0.00 -1.56 0.00 0.00 55.97 55.49 1x5f s LYS 35 Cb -0.10 -3.54 -0.04 0.00 -1.46 0.00 0.00 37.83 32.69 1x5f s LYS 35 CO -0.12 -0.25 0.10 -0.51 0.16 0.00 0.00 175.35 174.73 1x5f s LEU 36 N 1.85 3.63 -0.23 5.43 2.01 -0.13 -0.82 118.68 130.42 1x5f s LEU 36 Ca 0.41 -0.25 -0.14 0.00 0.01 0.00 0.00 54.13 54.16 1x5f s LEU 36 Cb -0.17 -2.24 0.07 0.00 0.01 0.00 0.00 46.19 43.86 1x5f s LEU 36 CO 0.15 0.06 0.58 0.42 1.01 0.00 0.00 176.35 178.56 1x5f s THR 37 N -1.83 -0.01 0.20 5.49 -4.23 0.13 -2.45 115.64 112.94 1x5f s THR 37 Ca 0.30 0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 60.80 1x5f s THR 37 Cb -0.09 -0.84 -0.03 0.00 1.34 0.00 0.00 72.50 72.88 1x5f s THR 37 CO 0.22 0.01 0.22 -1.66 -0.54 0.00 0.00 174.62 172.88 1x5f s TRP 38 N 1.49 0.86 0.59 3.99 -2.14 -0.52 -0.55 118.94 122.66 1x5f s TRP 38 Ca -0.09 -1.14 0.10 0.00 2.66 0.00 0.00 56.10 57.62 1x5f s TRP 38 Cb -0.06 -0.32 0.10 0.00 -3.10 0.00 0.00 33.47 30.09 1x5f s TRP 38 CO -0.16 -0.72 0.80 0.54 -2.66 0.00 0.00 176.95 174.74 1x5f n ARG 39 N -0.27 0.60 -2.40 3.25 1.74 0.71 -4.71 116.66 115.58 1x5f n ARG 39 Ca -0.01 -3.20 -0.36 0.00 -0.77 0.00 0.00 57.85 53.51 1x5f n ARG 39 Cb 0.64 -0.22 -0.02 0.00 -1.02 0.00 0.00 32.46 31.85 1x5f n ARG 39 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1x5f s THR 40 N -2.68 3.43 0.52 0.55 -4.23 -1.26 -3.42 115.64 108.55 1x5f s THR 40 Ca 0.61 1.02 -0.21 0.00 -1.18 0.00 0.00 61.69 61.93 1x5f s THR 40 Cb -0.05 -3.48 -0.06 0.00 1.34 0.00 0.00 72.50 70.24 1x5f s THR 40 CO 0.39 -0.07 1.14 -2.16 -0.54 0.00 0.00 174.62 173.37 1x5f s PRO 41 N -2.83 3.48 0.55 3.99 0.04 -1.18 -4.21 135.00 134.85 1x5f s PRO 41 Ca 0.64 1.66 0.24 0.00 0.04 0.00 0.00 61.00 63.58 1x5f s PRO 41 Cb -0.23 -2.13 1.49 0.00 0.04 0.00 0.00 34.50 33.66 1x5f s PRO 41 CO 0.28 -0.76 2.10 0.00 0.04 0.00 0.00 177.00 178.67 1x5f h ALA 42 N 1.46 2.03 0.13 8.56 0.00 -1.82 -2.10 119.26 127.53 1x5f h ALA 42 Ca -0.50 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 1x5f h ALA 42 Cb 1.26 0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.08 1x5f h ALA 42 CO 0.58 -0.29 -0.77 1.03 0.00 0.00 0.00 179.25 179.80 1x5f h SER 43 N 0.00 0.45 -3.79 0.00 0.87 -1.91 -3.41 113.55 105.76 1x5f h SER 43 Ca 0.10 -0.95 -0.70 0.00 -1.23 0.00 0.00 61.79 59.01 1x5f h SER 43 Cb 0.45 -0.15 -0.35 0.00 -0.44 0.00 0.00 62.40 61.92 1x5f h SER 43 CO -0.00 1.37 -0.46 -1.81 -0.53 0.00 0.00 176.83 175.40 1x5f s ASP 44 N -6.93 5.26 0.00 6.23 1.01 -0.79 -4.93 116.67 116.52 1x5f s ASP 44 Ca -0.14 -2.42 0.15 0.00 0.71 0.00 0.00 52.55 50.85 1x5f s ASP 44 Cb 0.01 -1.85 0.81 0.00 1.01 0.00 0.00 42.92 42.91 1x5f s ASP 44 CO 0.83 -0.47 1.39 -0.81 0.21 0.00 0.00 175.17 176.32 1x5f n PRO 45 N 4.07 0.31 0.00 8.23 -0.04 -1.22 -2.74 135.00 143.61 1x5f n PRO 45 Ca 0.02 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1x5f n PRO 45 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.19 0.00 -2.93 0.54 8.25 -1.26 -4.95 115.22 113.69 1x5f n HIS 46 Ca 0.09 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.35 1x5f n HIS 46 Cb 0.10 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.17 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 2.79 -0.25 0.03 -1.41 0.00 -1.11 -4.67 105.19 100.58 1x5f n GLY 47 Ca 0.00 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.08 0.32 -1.32 1.61 -0.08 -1.26 -3.72 116.55 111.02 1x5f n ASP 48 Ca 0.05 -0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1x5f n ASP 48 Cb 0.27 1.48 0.26 0.00 2.34 0.00 0.00 41.12 45.47 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 -2.25 3.78 -3.76 1.67 2.04 -1.26 -4.64 115.26 110.84 1x5f n ASN 49 Ca -0.02 -3.30 -0.13 0.00 -0.44 0.00 0.00 54.58 50.70 1x5f n ASN 49 Cb 0.53 -0.64 -0.12 0.00 -2.53 0.00 0.00 39.78 37.02 1x5f n ASN 49 CO 0.00 0.00 0.00 -1.48 -0.44 0.00 0.00 177.26 175.34 1x5f s LEU 50 N -3.01 0.77 0.52 -4.53 0.05 -1.26 -4.29 118.68 106.93 1x5f s LEU 50 Ca 0.47 0.52 -0.08 0.00 0.05 0.00 0.00 54.13 55.09 1x5f s LEU 50 Cb 0.39 0.82 -0.04 0.00 -2.05 0.00 0.00 46.19 45.31 1x5f s LEU 50 CO 0.08 -0.12 0.87 -0.89 -0.55 0.00 0.00 176.35 175.74 1x5f s THR 51 N 0.62 4.82 -0.13 5.48 2.01 0.46 -2.50 115.64 126.40 1x5f s THR 51 Ca -0.04 0.49 0.01 0.00 0.31 0.00 0.00 61.69 62.47 1x5f s THR 51 Cb -0.05 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 1x5f s THR 51 CO -0.04 -0.93 -0.17 -0.31 -0.69 0.00 0.00 174.62 172.49 1x5f s TYR 52 N -2.86 2.74 -0.11 4.92 2.02 -1.26 0.11 117.35 122.90 1x5f s TYR 52 Ca 0.51 -0.92 -0.03 0.00 -0.37 0.00 0.00 57.07 56.26 1x5f s TYR 52 Cb -0.11 -1.83 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 1x5f s TYR 52 CO 0.47 -0.38 0.00 -1.12 -1.57 0.00 0.00 175.55 172.95 1x5f s SER 53 N 0.55 5.22 -0.27 2.29 0.01 0.81 -2.68 113.70 119.63 1x5f s SER 53 Ca -0.10 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1x5f s SER 53 Cb -0.16 -1.59 0.05 0.00 0.21 0.00 0.00 66.02 64.53 1x5f s SER 53 CO 0.04 0.32 -0.07 -0.69 0.41 0.00 0.00 173.24 173.25 1x5f s VAL 54 N -0.54 2.58 -0.33 3.43 1.01 -1.15 -0.96 120.40 124.45 1x5f s VAL 54 Ca 0.09 -1.42 -0.13 0.00 0.00 0.00 0.00 61.98 60.53 1x5f s VAL 54 Cb -0.12 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1x5f s VAL 54 CO 0.02 0.00 0.24 -0.36 0.00 0.00 0.00 175.10 175.00 1x5f s PHE 55 N 1.20 3.23 0.13 5.22 0.40 0.26 -1.48 117.98 126.94 1x5f s PHE 55 Ca -0.06 -0.14 0.08 0.00 -0.60 0.00 0.00 56.93 56.22 1x5f s PHE 55 Cb -0.19 -2.46 -0.04 0.00 0.51 0.00 0.00 43.02 40.83 1x5f s PHE 55 CO -0.04 -0.32 -0.11 1.52 0.70 0.00 0.00 175.22 176.97 1x5f s TYR 56 N 1.74 2.67 -0.01 0.36 -0.85 -0.86 -0.66 117.35 119.73 1x5f s TYR 56 Ca 0.06 -0.20 -0.29 0.00 -0.52 0.00 0.00 57.07 56.13 1x5f s TYR 56 Cb -0.17 -1.37 0.10 0.00 0.38 0.00 0.00 41.96 40.90 1x5f s TYR 56 CO 0.11 0.45 0.86 -0.08 -1.52 0.00 0.00 175.55 175.37 1x5f s THR 57 N -1.35 0.00 0.00 -3.49 -1.32 -1.12 -1.82 115.64 106.53 1x5f s THR 57 Ca 0.22 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.40 1x5f s THR 57 Cb -0.10 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.86 1x5f s THR 57 CO 0.13 0.00 0.98 -0.75 -2.21 0.00 0.00 174.62 172.78 1x5f s LYS 58 N -2.79 4.56 0.57 7.08 2.20 -1.26 -0.30 119.74 129.80 1x5f s LYS 58 Ca 0.03 1.43 0.30 0.00 -0.36 0.00 0.00 55.97 57.36 1x5f s LYS 58 Cb -0.01 -3.46 1.03 0.00 -1.51 0.00 0.00 37.83 33.88 1x5f s LYS 58 CO -0.07 -0.05 1.29 -1.91 -0.36 0.00 0.00 175.35 174.25 1x5f n GLU 59 N 3.88 0.01 -0.06 4.03 2.13 -1.25 0.23 120.64 129.62 1x5f n GLU 59 Ca 0.06 0.99 -0.11 0.00 0.66 0.00 0.00 57.16 58.76 1x5f n GLU 59 Cb 0.51 -2.42 -0.15 0.00 0.27 0.00 0.00 31.44 29.65 1x5f n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x5f n GLY 60 N -1.72 -0.93 3.80 8.31 0.00 -1.26 -4.93 105.19 108.46 1x5f n GLY 60 Ca 0.26 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.55 4.38 -0.10 -0.61 1.01 0.64 -4.98 121.20 118.99 1x5f s ILE 61 Ca -0.10 1.54 0.21 0.00 0.00 0.00 0.00 60.65 62.30 1x5f s ILE 61 Cb 0.07 -3.85 -0.24 0.00 0.01 0.00 0.00 42.46 38.45 1x5f s ILE 61 CO 0.81 0.04 0.57 0.00 0.00 0.00 0.00 174.94 176.35 1x5f n ALA 62 N 0.28 2.46 -2.54 9.38 0.00 -1.26 -4.26 120.51 124.58 1x5f n ALA 62 Ca 0.02 -0.59 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 1x5f n ALA 62 Cb 0.51 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 19.16 1x5f n ALA 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1x5f s ARG 63 N -3.27 4.53 0.07 0.00 3.52 -1.26 -5.06 118.95 117.48 1x5f s ARG 63 Ca -0.06 1.17 0.07 0.00 -0.13 0.00 0.00 55.73 56.78 1x5f s ARG 63 Cb 0.11 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 1x5f s ARG 63 CO 0.86 0.13 -0.19 -1.83 -0.81 0.00 0.00 175.30 173.47 1x5f s GLU 64 N 0.43 1.12 -0.10 5.12 1.03 -1.26 -4.59 118.70 120.46 1x5f s GLU 64 Ca 0.43 -1.01 -0.02 0.00 0.03 0.00 0.00 54.97 54.40 1x5f s GLU 64 Cb -0.20 -1.27 -0.03 0.00 -0.80 0.00 0.00 34.13 31.82 1x5f s GLU 64 CO 0.24 0.31 -0.01 1.03 -1.33 0.00 0.00 175.26 175.50 1x5f s ARG 65 N -1.57 3.09 -0.17 -4.83 1.81 -0.76 -4.87 118.95 111.65 1x5f s ARG 65 Ca 0.05 -0.43 -0.10 0.00 -1.72 0.00 0.00 55.73 53.52 1x5f s ARG 65 Cb -0.09 -2.81 -0.05 0.00 -0.45 0.00 0.00 34.95 31.55 1x5f s ARG 65 CO 0.03 0.63 0.18 0.54 -0.68 0.00 0.00 175.30 175.99 1x5f s VAL 66 N -0.67 5.39 -0.29 3.52 0.11 -1.26 -2.02 120.40 125.17 1x5f s VAL 66 Ca 0.11 0.30 0.02 0.00 -2.93 0.00 0.00 61.98 59.47 1x5f s VAL 66 Cb -0.12 -3.50 0.07 0.00 -1.53 0.00 0.00 36.38 31.30 1x5f s VAL 66 CO 0.02 0.46 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.52 1x5f s GLU 67 N 0.09 2.15 0.00 1.54 2.56 -0.55 -4.91 118.70 119.59 1x5f s GLU 67 Ca 0.12 -1.44 -0.30 0.00 0.00 0.00 0.00 54.97 53.34 1x5f s GLU 67 Cb -0.12 -3.05 -0.05 0.00 2.00 0.00 0.00 34.13 32.91 1x5f s GLU 67 CO 0.01 -0.67 1.37 -0.80 -0.56 0.00 0.00 175.26 174.61 1x5f s ASN 68 N 1.14 6.88 0.15 -1.70 -0.87 -1.26 -2.94 114.94 116.33 1x5f s ASN 68 Ca -0.04 2.09 -0.34 0.00 -1.57 0.00 0.00 52.86 53.00 1x5f s ASN 68 Cb -0.20 -2.56 -0.15 0.00 -0.02 0.00 0.00 41.25 38.32 1x5f s ASN 68 CO -0.04 -0.69 1.49 0.35 -2.57 0.00 0.00 177.10 175.63 1x5f n THR 69 N 4.60 0.09 -0.41 1.60 -2.24 -1.09 -4.78 114.28 112.03 1x5f n THR 69 Ca 0.13 -0.02 0.40 0.00 -2.27 0.00 0.00 64.05 62.28 1x5f n THR 69 Cb 0.44 -1.32 0.70 0.00 -2.10 0.00 0.00 70.33 68.05 1x5f n THR 69 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1x5f h SER 70 N 5.37 0.00 -4.28 3.42 4.64 -1.92 -3.38 113.55 117.40 1x5f h SER 70 Ca -0.46 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.64 1x5f h SER 70 Cb 1.28 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.12 1x5f h SER 70 CO 0.84 0.00 -0.72 -1.00 -0.87 0.00 0.00 176.83 175.09 1x5f s HIS 71 N -4.75 0.21 0.05 4.77 3.76 -1.26 -5.13 115.29 112.95 1x5f s HIS 71 Ca -0.04 -0.24 -0.31 0.00 -0.15 0.00 0.00 55.06 54.32 1x5f s HIS 71 Cb 0.21 -0.14 -0.07 0.00 1.11 0.00 0.00 32.58 33.70 1x5f s HIS 71 CO 0.73 -0.07 1.41 -1.25 -0.85 0.00 0.00 174.74 174.71 1x5f s PRO 72 N -0.67 4.29 0.00 8.40 0.04 -1.26 -2.61 135.00 143.19 1x5f s PRO 72 Ca -0.06 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1x5f s PRO 72 Cb -0.05 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1x5f s PRO 72 CO -0.00 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 176.92 1x5f n GLY 73 N 3.61 1.65 3.70 0.56 0.00 -1.04 -4.86 105.19 108.80 1x5f n GLY 73 Ca 0.13 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 1.47 -0.07 1.61 2.13 -1.07 -4.81 120.64 117.89 1x5f n GLU 74 Ca 0.00 0.54 0.07 0.00 0.66 0.00 0.00 57.16 58.42 1x5f n GLU 74 Cb 0.00 -2.27 0.27 0.00 0.27 0.00 0.00 31.44 29.71 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 5.56 1.42 -3.76 5.31 2.81 -1.26 -4.78 117.12 122.41 1x5f n MET 75 Ca 0.25 -0.64 -0.12 0.00 -1.81 0.00 0.00 57.70 55.37 1x5f n MET 75 Cb 0.18 -1.25 -0.12 0.00 -0.71 0.00 0.00 33.22 31.32 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 -1.82 0.27 0.06 0.03 1.11 -1.26 -1.44 119.66 116.60 1x5f s GLN 76 Ca 0.22 0.43 -0.02 0.00 0.01 0.00 0.00 55.36 56.00 1x5f s GLN 76 Cb 0.11 0.04 -0.03 0.00 -1.01 0.00 0.00 33.01 32.11 1x5f s GLN 76 CO 0.16 -0.09 0.00 0.54 0.01 0.00 0.00 175.29 175.92 1x5f s VAL 77 N 0.60 0.21 -0.05 1.09 0.11 -1.03 -4.94 120.40 116.39 1x5f s VAL 77 Ca -0.04 -1.72 0.05 0.00 -2.93 0.00 0.00 61.98 57.35 1x5f s VAL 77 Cb -0.05 -1.50 -0.02 0.00 -1.53 0.00 0.00 36.38 33.28 1x5f s VAL 77 CO -0.03 -0.94 -0.20 -0.89 -3.33 0.00 0.00 175.10 169.70 1x5f s THR 78 N -3.91 2.52 -0.50 5.04 2.01 -1.26 -0.95 115.64 118.58 1x5f s THR 78 Ca 0.07 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1x5f s THR 78 Cb 0.08 -1.95 0.13 0.00 0.01 0.00 0.00 72.50 70.77 1x5f s THR 78 CO -0.10 0.58 0.27 -0.63 -0.69 0.00 0.00 174.62 174.04 1x5f s ILE 79 N -0.46 2.92 0.80 1.82 -1.09 -0.97 -4.98 121.20 119.25 1x5f s ILE 79 Ca 0.05 -2.91 -0.05 0.00 -2.23 0.00 0.00 60.65 55.51 1x5f s ILE 79 Cb -0.12 -3.00 0.15 0.00 -1.58 0.00 0.00 42.46 37.91 1x5f s ILE 79 CO 0.01 -0.77 1.10 -1.10 -1.23 0.00 0.00 174.94 172.95 1x5f s GLN 80 N 0.14 1.32 -0.80 2.79 -0.21 -1.26 -2.16 119.66 119.47 1x5f s GLN 80 Ca 0.15 -0.93 -0.03 0.00 0.02 0.00 0.00 55.36 54.57 1x5f s GLN 80 Cb -0.23 -2.18 0.00 0.00 1.00 0.00 0.00 33.01 31.61 1x5f s GLN 80 CO -0.03 -1.78 0.69 0.09 -2.12 0.00 0.00 175.29 172.15 1x5f n ASN 81 N -3.14 -3.53 -4.60 5.90 3.02 -0.93 -4.92 115.26 107.07 1x5f n ASN 81 Ca 0.15 -0.36 -0.26 0.00 -0.03 0.00 0.00 54.58 54.09 1x5f n ASN 81 Cb 0.60 -3.36 -0.10 0.00 -0.61 0.00 0.00 39.78 36.31 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 -4.85 2.87 -0.14 3.41 1.43 -0.38 -5.04 118.68 115.99 1x5f s LEU 82 Ca 0.20 -1.16 -0.06 0.00 -1.03 0.00 0.00 54.13 52.08 1x5f s LEU 82 Cb -0.09 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 1x5f s LEU 82 CO 0.46 -0.28 0.09 -0.32 0.23 0.00 0.00 176.35 176.52 1x5f s MET 83 N -3.68 3.55 0.71 1.70 -2.45 -1.26 -4.47 119.30 113.40 1x5f s MET 83 Ca 0.34 -0.25 -0.13 0.00 -1.25 0.00 0.00 55.69 54.41 1x5f s MET 83 Cb 0.03 -3.14 0.03 0.00 1.25 0.00 0.00 34.83 33.00 1x5f s MET 83 CO 0.18 0.60 1.10 -1.25 1.05 0.00 0.00 175.02 176.70 1x5f s PRO 84 N -0.53 2.53 -1.61 4.11 0.04 -0.91 -3.59 135.00 135.05 1x5f s PRO 84 Ca 0.11 1.29 -0.15 0.00 0.04 0.00 0.00 61.00 62.29 1x5f s PRO 84 Cb -0.12 -1.92 0.12 0.00 0.04 0.00 0.00 34.50 32.61 1x5f s PRO 84 CO 0.02 -1.45 0.86 0.00 0.04 0.00 0.00 177.00 176.47 1x5f n ALA 85 N -2.95 -1.32 -3.66 8.56 0.00 -1.16 -4.86 120.51 115.11 1x5f n ALA 85 Ca 0.10 0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 1x5f n ALA 85 Cb 0.52 -3.82 -0.18 0.00 0.00 0.00 0.00 19.45 15.98 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 -3.33 -0.03 0.45 0.00 2.01 -1.24 -4.91 115.64 108.59 1x5f s THR 86 Ca 0.66 0.17 -0.25 0.00 0.31 0.00 0.00 61.69 62.58 1x5f s THR 86 Cb -0.35 -0.36 -0.08 0.00 0.01 0.00 0.00 72.50 71.72 1x5f s THR 86 CO 0.88 0.03 1.39 -0.69 -0.69 0.00 0.00 174.62 175.54 1x5f s VAL 87 N 2.13 2.22 -0.04 3.82 1.01 -1.26 -3.68 120.40 124.59 1x5f s VAL 87 Ca 0.04 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 1x5f s VAL 87 Cb -0.13 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.16 1x5f s VAL 87 CO -0.05 0.03 0.09 -0.31 0.00 0.00 0.00 175.10 174.85 1x5f s TYR 88 N -1.23 -0.09 -0.53 5.22 2.02 0.13 -3.83 117.35 119.04 1x5f s TYR 88 Ca 0.61 0.29 -0.20 0.00 -0.37 0.00 0.00 57.07 57.39 1x5f s TYR 88 Cb -0.42 -0.08 0.06 0.00 -0.40 0.00 0.00 41.96 41.12 1x5f s TYR 88 CO 0.54 -0.10 0.71 0.42 -1.57 0.00 0.00 175.55 175.55 1x5f s ILE 89 N 0.71 4.74 0.03 2.71 -1.09 0.60 -1.71 121.20 127.19 1x5f s ILE 89 Ca -0.06 -0.35 -0.13 0.00 -2.23 0.00 0.00 60.65 57.88 1x5f s ILE 89 Cb -0.08 -4.38 -0.06 0.00 -1.58 0.00 0.00 42.46 36.37 1x5f s ILE 89 CO -0.03 -0.92 0.41 -0.36 -1.23 0.00 0.00 174.94 172.81 1x5f s PHE 90 N 2.97 3.68 -0.06 3.97 0.40 0.36 -2.80 117.98 126.50 1x5f s PHE 90 Ca 0.18 0.93 -0.01 0.00 -0.60 0.00 0.00 56.93 57.43 1x5f s PHE 90 Cb -0.18 -2.25 0.03 0.00 0.51 0.00 0.00 43.02 41.13 1x5f s PHE 90 CO 0.13 0.60 0.00 1.03 0.70 0.00 0.00 175.22 177.69 1x5f s ARG 91 N -1.36 0.51 -0.12 0.44 0.52 0.17 -0.04 118.95 119.06 1x5f s ARG 91 Ca 0.27 0.11 -0.09 0.00 -0.52 0.00 0.00 55.73 55.51 1x5f s ARG 91 Cb -0.16 -0.84 -0.04 0.00 0.52 0.00 0.00 34.95 34.43 1x5f s ARG 91 CO 0.15 -0.26 0.17 0.08 0.02 0.00 0.00 175.30 175.46 1x5f s VAL 92 N 1.76 5.44 -0.01 3.52 1.01 -1.26 -0.58 120.40 130.28 1x5f s VAL 92 Ca 0.01 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 1x5f s VAL 92 Cb -0.13 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1x5f s VAL 92 CO -0.04 0.57 0.07 -0.32 0.00 0.00 0.00 175.10 175.38 1x5f s MET 93 N -0.72 0.21 0.21 2.72 0.00 -0.13 0.37 119.30 121.95 1x5f s MET 93 Ca 0.15 -0.13 -0.09 0.00 0.00 0.00 0.00 55.69 55.62 1x5f s MET 93 Cb -0.12 0.09 -0.07 0.00 0.00 0.00 0.00 34.83 34.73 1x5f s MET 93 CO 0.04 -0.04 0.51 0.00 0.00 0.00 0.00 175.02 175.53 1x5f s ALA 94 N -0.54 3.61 -0.06 4.11 0.00 -1.26 -0.13 121.76 127.49 1x5f s ALA 94 Ca -0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 1x5f s ALA 94 Cb -0.04 -2.37 0.04 0.00 0.00 0.00 0.00 23.12 20.75 1x5f s ALA 94 CO 0.00 0.54 0.13 -0.65 0.00 0.00 0.00 175.76 175.78 1x5f s GLN 95 N -2.77 0.03 0.24 0.00 -0.21 0.29 -2.77 119.66 114.47 1x5f s GLN 95 Ca 0.46 0.43 0.00 0.00 0.02 0.00 0.00 55.36 56.27 1x5f s GLN 95 Cb -0.11 -0.27 -0.00 0.00 1.00 0.00 0.00 33.01 33.63 1x5f s GLN 95 CO 0.22 -0.24 0.01 0.27 -2.12 0.00 0.00 175.29 173.42 1x5f n ASN 96 N 4.78 2.51 0.14 5.90 0.23 -1.08 0.18 115.26 127.91 1x5f n ASN 96 Ca -0.15 -2.08 0.14 0.00 -0.53 0.00 0.00 54.58 51.96 1x5f n ASN 96 Cb 0.50 0.21 0.37 0.00 -2.08 0.00 0.00 39.78 38.78 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 0.03 -3.83 2.10 -2.02 -1.30 116.57 111.54 1x5f h LYS 97 Ca -0.20 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1x5f h LYS 97 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1x5f h LYS 97 CO 0.33 0.00 -0.01 0.45 -2.00 0.00 0.00 179.45 178.22 1x5f h HIS 98 N 0.00 -0.03 0.00 0.07 3.86 -1.93 -3.51 115.15 113.60 1x5f h HIS 98 Ca 0.17 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1x5f h HIS 98 Cb 1.93 0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.41 1x5f h HIS 98 CO 0.00 -0.02 0.00 0.41 0.86 0.00 0.00 177.93 179.18 1x5f n GLY 99 N 1.52 -0.68 3.58 2.45 0.00 -0.49 -5.07 105.19 106.49 1x5f n GLY 99 Ca -0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 6.35 0.00 1.61 0.01 -1.26 -2.65 113.70 113.75 1x5f s SER 100 Ca 0.00 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1x5f s SER 100 Cb 0.00 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1x5f s SER 100 CO 0.00 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1x5f n GLY 101 N 4.68 1.39 3.55 3.44 0.00 -1.11 -4.98 105.19 112.16 1x5f n GLY 101 Ca -0.05 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1x5f n GLY 101 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x5f s GLU 102 N 0.00 2.56 -0.29 1.61 2.56 -1.25 -4.99 118.70 118.90 1x5f s GLU 102 Ca 0.00 -0.68 -0.25 0.00 0.00 0.00 0.00 54.97 54.04 1x5f s GLU 102 Cb 0.00 -2.47 0.00 0.00 2.00 0.00 0.00 34.13 33.66 1x5f s GLU 102 CO 0.00 0.62 0.84 -1.54 -0.56 0.00 0.00 175.26 174.62 1x5f s SER 103 N -1.06 6.76 1.07 -1.70 1.04 -1.26 -2.78 113.70 115.77 1x5f s SER 103 Ca 0.14 0.84 -0.19 0.00 0.48 0.00 0.00 55.95 57.22 1x5f s SER 103 Cb -0.11 -2.44 0.08 0.00 0.10 0.00 0.00 66.02 63.65 1x5f s SER 103 CO 0.04 -0.62 -0.15 -1.54 0.98 0.00 0.00 173.24 171.94 1x5f n SER 104 N 6.23 -2.64 -4.76 7.02 3.41 0.16 -4.89 113.62 118.16 1x5f n SER 104 Ca 0.05 -0.18 -0.37 0.00 -0.26 0.00 0.00 58.87 58.11 1x5f n SER 104 Cb 0.48 -0.83 0.02 0.00 -0.26 0.00 0.00 64.21 63.62 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 -2.15 2.78 -0.44 7.33 0.00 -1.26 -4.60 121.76 123.42 1x5f s ALA 105 Ca 0.47 1.07 -0.28 0.00 0.00 0.00 0.00 51.96 53.23 1x5f s ALA 105 Cb -0.07 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1x5f s ALA 105 CO 0.57 -1.03 1.75 -1.25 0.00 0.00 0.00 175.76 175.80 1x5f s PRO 106 N -2.98 3.15 -0.04 0.00 0.04 -1.26 -4.61 135.00 129.29 1x5f s PRO 106 Ca 0.71 1.08 -0.25 0.00 0.04 0.00 0.00 61.00 62.57 1x5f s PRO 106 Cb -0.32 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 29.95 1x5f s PRO 106 CO 0.38 -2.09 0.76 -1.17 0.04 0.00 0.00 177.00 174.92 1x5f s LEU 107 N 7.34 4.34 -0.24 -3.56 2.96 0.94 -4.86 118.68 125.61 1x5f s LEU 107 Ca 0.72 1.31 -0.16 0.00 -0.22 0.00 0.00 54.13 55.78 1x5f s LEU 107 Cb -0.18 -3.19 -0.03 0.00 0.50 0.00 0.00 46.19 43.28 1x5f s LEU 107 CO 0.29 -0.13 0.43 -0.60 -1.32 0.00 0.00 176.35 175.03 1x5f s ARG 108 N 0.72 4.09 -0.03 1.98 3.52 -1.26 -0.49 118.95 127.48 1x5f s ARG 108 Ca 0.40 0.19 0.02 0.00 -0.13 0.00 0.00 55.73 56.22 1x5f s ARG 108 Cb -0.19 -3.61 0.01 0.00 -1.56 0.00 0.00 34.95 29.60 1x5f s ARG 108 CO 0.21 -0.22 -0.08 0.08 -0.81 0.00 0.00 175.30 174.47 1x5f s VAL 109 N 1.89 0.76 -0.22 7.11 1.01 -0.69 -4.97 120.40 125.28 1x5f s VAL 109 Ca 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1x5f s VAL 109 Cb -0.15 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.56 1x5f s VAL 109 CO 0.09 0.25 -0.12 -0.70 0.00 0.00 0.00 175.10 174.61 1x5f s GLU 110 N 0.33 2.83 1.08 2.72 2.12 -1.26 0.17 118.70 126.68 1x5f s GLU 110 Ca -0.05 -0.96 -0.18 0.00 0.36 0.00 0.00 54.97 54.14 1x5f s GLU 110 Cb -0.10 -2.81 0.28 0.00 0.26 0.00 0.00 34.13 31.76 1x5f s GLU 110 CO 0.01 -0.34 0.66 0.25 -0.54 0.00 0.00 175.26 175.29 1x5f n THR 111 N 4.62 0.00 -4.30 -1.70 -2.24 -1.24 -4.91 114.28 104.51 1x5f n THR 111 Ca -0.18 -0.03 -0.33 0.00 -2.27 0.00 0.00 64.05 61.24 1x5f n THR 111 Cb 0.48 -0.77 -0.09 0.00 -2.10 0.00 0.00 70.33 67.84 1x5f n THR 111 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1x5f s GLN 112 N -4.57 2.82 -0.61 -0.78 -1.52 -1.26 -3.76 119.66 109.98 1x5f s GLN 112 Ca 0.50 -0.58 -0.26 0.00 -1.95 0.00 0.00 55.36 53.07 1x5f s GLN 112 Cb -0.08 -2.69 -0.02 0.00 -0.22 0.00 0.00 33.01 30.00 1x5f s GLN 112 CO 0.42 0.64 1.86 -1.25 -0.25 0.00 0.00 175.29 176.70 1x5f s PRO 113 N -1.46 2.62 0.33 2.91 0.04 -1.26 -2.97 135.00 135.22 1x5f s PRO 113 Ca 0.19 0.61 -0.08 0.00 0.04 0.00 0.00 61.00 61.75 1x5f s PRO 113 Cb -0.11 -4.39 -0.06 0.00 0.04 0.00 0.00 34.50 29.98 1x5f s PRO 113 CO 0.09 -2.74 0.64 -1.83 0.04 0.00 0.00 177.00 173.21 1x5f s GLU 114 N 7.05 3.72 -0.22 4.56 4.04 -1.26 -4.99 118.70 131.60 1x5f s GLU 114 Ca 0.67 0.23 -0.27 0.00 0.04 0.00 0.00 54.97 55.64 1x5f s GLU 114 Cb -0.13 -2.54 0.10 0.00 0.02 0.00 0.00 34.13 31.59 1x5f s GLU 114 CO 0.21 0.12 0.91 0.45 -1.84 0.00 0.00 175.26 175.11 1x5f s SER 115 N -3.05 -0.53 0.92 0.83 0.15 -1.26 -5.06 113.70 105.70 1x5f s SER 115 Ca 0.47 0.86 -0.12 0.00 0.70 0.00 0.00 55.95 57.87 1x5f s SER 115 Cb -0.11 0.82 0.09 0.00 -1.71 0.00 0.00 66.02 65.12 1x5f s SER 115 CO 0.29 -0.28 0.79 0.61 1.20 0.00 0.00 173.24 175.85 1x5f n GLY 116 N 1.78 -1.14 3.56 9.45 0.00 -1.26 -4.84 105.19 112.74 1x5f n GLY 116 Ca -0.13 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 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 -4.10 2.71 0.39 1.61 0.04 -1.26 -4.94 135.00 129.44 1x5f s PRO 117 Ca 0.63 0.69 -0.22 0.00 0.04 0.00 0.00 61.00 62.13 1x5f s PRO 117 Cb -0.23 -4.36 -0.14 0.00 0.04 0.00 0.00 34.50 29.80 1x5f s PRO 117 CO 0.62 -2.64 0.33 0.43 0.04 0.00 0.00 177.00 175.79 1x5f n SER 118 N 12.47 -1.82 -4.92 6.66 7.64 -1.26 -4.95 113.62 127.44 1x5f n SER 118 Ca 0.21 0.89 -0.26 0.00 1.01 0.00 0.00 58.87 60.71 1x5f n SER 118 Cb 0.52 -0.99 0.04 0.00 -1.01 0.00 0.00 64.21 62.76 1x5f n SER 118 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5f s SER 119 N -0.98 5.44 0.00 6.43 1.04 -1.26 -5.31 113.70 119.07 1x5f s SER 119 Ca 0.61 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.66 1x5f s SER 119 Cb -0.65 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 63.92 1x5f s SER 119 CO 0.60 -1.15 0.31 0.61 0.98 0.00 0.00 173.24 174.58