#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 0.12 -0.19 1.61 0.15 -1.26 -5.08 113.70 109.04 1x5f s SER 2 Ca 0.00 -1.13 -0.03 0.00 0.70 0.00 0.00 55.95 55.49 1x5f s SER 2 Cb 0.00 0.80 -0.11 0.00 -1.71 0.00 0.00 66.02 65.00 1x5f s SER 2 CO 0.00 -1.57 -0.20 -1.54 1.20 0.00 0.00 173.24 171.13 1x5f n SER 3 N -1.25 2.09 -4.73 5.45 3.41 -1.26 -5.06 113.62 112.27 1x5f n SER 3 Ca -0.06 0.04 -0.31 0.00 -0.26 0.00 0.00 58.87 58.28 1x5f n SER 3 Cb 0.60 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 64.05 1x5f n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x5f s GLY 4 N -5.64 2.81 -0.23 5.00 0.00 -1.26 -5.08 107.32 102.92 1x5f s GLY 4 Ca -0.27 -1.03 -0.19 0.00 0.00 0.00 0.00 44.72 43.23 1x5f s GLY 4 CO 0.40 -2.14 0.07 1.44 0.00 0.00 0.00 173.10 172.87 1x5f n SER 5 N -1.22 1.89 -0.08 1.64 7.64 -1.26 -4.78 113.62 117.45 1x5f n SER 5 Ca -0.13 0.40 -0.15 0.00 1.01 0.00 0.00 58.87 59.99 1x5f n SER 5 Cb 0.67 -0.93 -0.07 0.00 -1.01 0.00 0.00 64.21 62.87 1x5f n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x5f n SER 6 N -4.37 1.84 -2.19 6.43 3.41 -1.26 -5.06 113.62 112.41 1x5f n SER 6 Ca -0.38 0.09 -0.07 0.00 -0.26 0.00 0.00 58.87 58.24 1x5f n SER 6 Cb 0.74 -0.39 0.04 0.00 -0.26 0.00 0.00 64.21 64.33 1x5f n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5f n GLY 7 N 2.27 0.03 3.22 5.00 0.00 -1.26 -5.06 105.19 109.39 1x5f n GLY 7 Ca -0.31 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.16 1.44 -0.19 1.61 0.41 -1.26 -5.12 118.70 111.43 1x5f s GLU 8 Ca 0.10 -0.81 -0.26 0.00 -0.41 0.00 0.00 54.97 53.58 1x5f s GLU 8 Cb -0.01 -1.47 -0.01 0.00 -1.78 0.00 0.00 34.13 30.86 1x5f s GLU 8 CO 0.33 0.39 0.87 -3.38 -0.49 0.00 0.00 175.26 172.98 1x5f s HIS 9 N -0.64 3.39 0.43 1.61 -3.43 -1.26 -5.01 115.29 110.38 1x5f s HIS 9 Ca 0.07 1.28 -0.24 0.00 -0.80 0.00 0.00 55.06 55.38 1x5f s HIS 9 Cb -0.08 -3.07 -0.10 0.00 -1.43 0.00 0.00 32.58 27.90 1x5f s HIS 9 CO 0.01 -0.31 0.98 0.00 -2.00 0.00 0.00 174.74 173.42 1x5f n ALA 10 N 5.53 0.10 -1.04 -1.38 0.00 -1.26 -4.98 120.51 117.48 1x5f n ALA 10 Ca 0.06 0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.60 1x5f n ALA 10 Cb 0.48 -2.07 0.16 0.00 0.00 0.00 0.00 19.45 18.02 1x5f n ALA 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1x5f n PRO 11 N 0.12 -2.36 -1.61 0.00 -0.04 -1.26 -4.87 135.00 124.98 1x5f n PRO 11 Ca 0.10 -1.09 -0.45 0.00 -0.04 0.00 0.00 63.50 62.02 1x5f n PRO 11 Cb 0.39 -1.03 -0.04 0.00 -0.04 0.00 0.00 33.50 32.79 1x5f n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5f n ALA 12 N -4.17 1.52 -0.07 0.55 0.00 -1.26 -4.84 120.51 112.24 1x5f n ALA 12 Ca -0.13 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.06 1x5f n ALA 12 Cb 0.37 -2.76 -0.13 0.00 0.00 0.00 0.00 19.45 16.93 1x5f n ALA 12 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1x5f n THR 13 N 6.79 1.63 -4.20 0.00 5.66 -1.26 -4.97 114.28 117.93 1x5f n THR 13 Ca 0.28 -0.56 -0.28 0.00 -3.05 0.00 0.00 64.05 60.45 1x5f n THR 13 Cb 0.39 -1.64 -0.08 0.00 -1.55 0.00 0.00 70.33 67.45 1x5f n THR 13 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1x5f s THR 14 N -2.53 3.68 0.00 1.09 2.01 -1.26 -5.09 115.64 113.54 1x5f s THR 14 Ca -0.29 -1.32 0.00 0.00 0.31 0.00 0.00 61.69 60.39 1x5f s THR 14 Cb 0.08 -2.81 0.00 0.00 0.01 0.00 0.00 72.50 69.79 1x5f s THR 14 CO 0.67 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.19 1x5f n GLY 15 N 0.18 5.24 3.71 4.40 0.00 -1.26 -5.16 105.19 112.30 1x5f n GLY 15 Ca -0.11 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 4.46 1.02 0.16 1.61 0.04 -1.26 -5.08 135.00 135.95 1x5f s PRO 16 Ca 0.00 0.74 0.08 0.00 0.04 0.00 0.00 61.00 61.86 1x5f s PRO 16 Cb 0.00 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1x5f s PRO 16 CO 0.00 -2.39 -0.17 -0.51 0.04 0.00 0.00 177.00 173.97 1x5f s LEU 17 N -6.29 2.44 0.00 -3.56 1.43 -1.26 -4.95 118.68 106.49 1x5f s LEU 17 Ca 0.64 -0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 1x5f s LEU 17 Cb -0.18 -0.78 0.16 0.00 0.03 0.00 0.00 46.19 45.41 1x5f s LEU 17 CO 0.57 -0.06 0.56 -0.81 0.23 0.00 0.00 176.35 176.84 1x5f n PRO 18 N 0.27 -2.13 -4.79 1.29 -0.04 -1.26 -4.95 135.00 123.38 1x5f n PRO 18 Ca -0.13 -0.90 -0.25 0.00 -0.04 0.00 0.00 63.50 62.18 1x5f n PRO 18 Cb 0.57 -0.84 -0.16 0.00 -0.04 0.00 0.00 33.50 33.03 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 -3.02 2.03 0.84 3.54 0.15 -1.26 -3.59 113.70 112.40 1x5f s SER 19 Ca 0.36 -0.32 -0.17 0.00 0.70 0.00 0.00 55.95 56.53 1x5f s SER 19 Cb -0.04 -0.44 -0.14 0.00 -1.71 0.00 0.00 66.02 63.69 1x5f s SER 19 CO 0.28 0.17 -0.62 0.00 1.20 0.00 0.00 173.24 174.27 1x5f n ALA 20 N 2.98 -4.83 -1.16 5.45 0.00 -1.19 -4.63 120.51 117.13 1x5f n ALA 20 Ca -0.17 -0.51 -0.29 0.00 0.00 0.00 0.00 53.44 52.47 1x5f n ALA 20 Cb 0.53 -1.15 0.18 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.69 0.40 0.40 0.00 0.04 -1.26 -4.55 135.00 128.34 1x5f s PRO 21 Ca 0.42 0.51 0.08 0.00 0.04 0.00 0.00 61.00 62.05 1x5f s PRO 21 Cb -0.24 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 1x5f s PRO 21 CO 0.76 -2.75 0.11 1.03 0.04 0.00 0.00 177.00 176.18 1x5f s ARG 22 N -4.96 2.14 -1.33 4.56 1.81 -1.20 -4.75 118.95 115.21 1x5f s ARG 22 Ca 0.65 -1.89 -0.04 0.00 -1.72 0.00 0.00 55.73 52.73 1x5f s ARG 22 Cb -0.19 -1.89 -0.00 0.00 -0.45 0.00 0.00 34.95 32.42 1x5f s ARG 22 CO 0.58 -0.05 0.57 -0.25 -0.68 0.00 0.00 175.30 175.46 1x5f n ASP 23 N -1.12 -1.50 -4.62 0.23 9.92 -1.26 -0.21 116.55 117.98 1x5f n ASP 23 Ca -0.03 -0.95 -0.42 0.00 -0.53 0.00 0.00 54.79 52.85 1x5f n ASP 23 Cb 0.65 -3.41 -0.03 0.00 -0.64 0.00 0.00 41.12 37.68 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 -3.79 4.65 0.31 2.53 1.01 -1.26 -3.92 120.40 119.93 1x5f s VAL 24 Ca 0.09 1.43 -0.03 0.00 0.00 0.00 0.00 61.98 63.47 1x5f s VAL 24 Cb -0.03 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 1x5f s VAL 24 CO 0.86 -0.38 0.41 0.68 0.00 0.00 0.00 175.10 176.67 1x5f s VAL 25 N 3.31 0.00 -0.42 2.92 -7.23 -0.22 -5.00 120.40 113.77 1x5f s VAL 25 Ca 0.39 -1.66 -0.08 0.00 -1.81 0.00 0.00 61.98 58.81 1x5f s VAL 25 Cb -0.13 -2.54 0.08 0.00 0.56 0.00 0.00 36.38 34.36 1x5f s VAL 25 CO 0.14 0.00 0.26 0.00 -0.31 0.00 0.00 175.10 175.19 1x5f s ALA 26 N -3.40 3.28 0.57 1.32 0.00 -1.26 0.19 121.76 122.46 1x5f s ALA 26 Ca 0.31 -2.21 0.27 0.00 0.00 0.00 0.00 51.96 50.34 1x5f s ALA 26 Cb 0.01 -2.63 1.51 0.00 0.00 0.00 0.00 23.12 22.01 1x5f s ALA 26 CO 0.18 -1.68 2.01 1.03 0.00 0.00 0.00 175.76 177.30 1x5f h SER 27 N 8.37 0.00 -4.87 0.00 0.87 -1.04 -3.43 113.55 113.46 1x5f h SER 27 Ca -0.22 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.31 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 0.76 0.00 0.25 -0.22 -0.53 0.00 0.00 176.83 177.09 1x5f s LEU 28 N -7.93 -0.59 -0.30 2.23 0.20 -1.09 -4.97 118.68 106.22 1x5f s LEU 28 Ca -0.05 0.53 0.02 0.00 0.69 0.00 0.00 54.13 55.32 1x5f s LEU 28 Cb 0.17 2.44 0.09 0.00 -0.43 0.00 0.00 46.19 48.46 1x5f s LEU 28 CO 0.61 -0.64 0.03 -0.69 -0.29 0.00 0.00 176.35 175.37 1x5f s VAL 29 N -1.69 1.72 0.34 1.68 1.01 -1.26 0.92 120.40 123.12 1x5f s VAL 29 Ca -0.07 -1.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.05 1x5f s VAL 29 Cb -0.00 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 34.14 1x5f s VAL 29 CO 0.04 -0.47 0.64 -0.55 0.00 0.00 0.00 175.10 174.76 1x5f s SER 30 N 1.22 6.46 0.57 3.32 0.15 0.36 -4.67 113.70 121.11 1x5f s SER 30 Ca 0.06 0.86 0.35 0.00 0.70 0.00 0.00 55.95 57.92 1x5f s SER 30 Cb -0.19 -2.21 1.52 0.00 -1.71 0.00 0.00 66.02 63.44 1x5f s SER 30 CO -0.12 -0.28 2.04 0.71 1.20 0.00 0.00 173.24 176.79 1x5f h THR 31 N 1.22 0.04 -0.00 6.45 1.35 -1.96 -2.90 112.91 117.10 1x5f h THR 31 Ca -0.47 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1x5f h THR 31 Cb 1.19 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1x5f h THR 31 CO 0.65 0.01 -0.03 0.54 -0.25 0.00 0.00 175.52 176.44 1x5f n ARG 32 N -3.11 2.35 -3.81 4.72 1.74 -1.26 -2.26 116.66 115.01 1x5f n ARG 32 Ca -0.00 -0.34 -0.08 0.00 -0.77 0.00 0.00 57.85 56.66 1x5f n ARG 32 Cb 0.27 -0.83 0.03 0.00 -1.02 0.00 0.00 32.46 30.91 1x5f n ARG 32 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1x5f s PHE 33 N -0.56 0.14 -0.15 -1.55 -0.12 -1.10 -1.35 117.98 113.29 1x5f s PHE 33 Ca 0.01 -0.80 -0.07 0.00 -0.05 0.00 0.00 56.93 56.02 1x5f s PHE 33 Cb 0.01 0.84 0.06 0.00 -0.63 0.00 0.00 43.02 43.30 1x5f s PHE 33 CO 0.04 -1.52 0.34 0.42 -0.05 0.00 0.00 175.22 174.44 1x5f s ILE 34 N -2.17 -0.23 -0.11 -4.49 1.01 -0.94 0.14 121.20 114.41 1x5f s ILE 34 Ca 0.17 0.16 -0.26 0.00 0.00 0.00 0.00 60.65 60.71 1x5f s ILE 34 Cb -0.05 -0.53 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 1x5f s ILE 34 CO 0.11 0.07 0.84 -0.75 0.00 0.00 0.00 174.94 175.21 1x5f s LYS 35 N 1.80 4.39 0.14 2.79 2.47 0.26 -2.26 119.74 129.34 1x5f s LYS 35 Ca -0.06 1.09 0.05 0.00 -1.56 0.00 0.00 55.97 55.49 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 -0.11 -0.19 0.06 -0.51 0.16 0.00 0.00 175.35 174.77 1x5f s LEU 36 N 1.63 3.59 -0.23 5.43 2.01 0.24 -0.48 118.68 130.87 1x5f s LEU 36 Ca 0.41 -0.20 -0.11 0.00 0.01 0.00 0.00 54.13 54.24 1x5f s LEU 36 Cb -0.18 -2.25 0.09 0.00 0.01 0.00 0.00 46.19 43.86 1x5f s LEU 36 CO 0.17 0.11 0.53 0.42 1.01 0.00 0.00 176.35 178.59 1x5f s THR 37 N -1.61 -0.35 0.16 5.49 -4.23 0.13 -2.19 115.64 113.04 1x5f s THR 37 Ca 0.29 0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.85 1x5f s THR 37 Cb -0.10 -0.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 1x5f s THR 37 CO 0.21 0.03 0.10 -1.66 -0.54 0.00 0.00 174.62 172.76 1x5f s TRP 38 N 2.03 0.94 0.59 3.99 -2.14 -0.63 -1.05 118.94 122.67 1x5f s TRP 38 Ca -0.07 -1.25 0.10 0.00 2.66 0.00 0.00 56.10 57.53 1x5f s TRP 38 Cb -0.09 -0.47 0.09 0.00 -3.10 0.00 0.00 33.47 29.90 1x5f s TRP 38 CO -0.16 -0.58 0.79 1.03 -2.66 0.00 0.00 176.95 175.36 1x5f s ARG 39 N -4.08 2.26 0.35 3.25 3.00 0.71 -4.70 118.95 119.73 1x5f s ARG 39 Ca 0.29 -1.71 -0.27 0.00 0.00 0.00 0.00 55.73 54.04 1x5f s ARG 39 Cb 0.07 -2.60 -0.09 0.00 0.00 0.00 0.00 34.95 32.33 1x5f s ARG 39 CO 0.06 -0.90 1.17 0.95 0.00 0.00 0.00 175.30 176.58 1x5f s THR 40 N -2.70 3.18 0.59 0.02 -4.23 -1.26 -3.26 115.64 107.96 1x5f s THR 40 Ca 0.60 1.09 -0.18 0.00 -1.18 0.00 0.00 61.69 62.02 1x5f s THR 40 Cb -0.05 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 1x5f s THR 40 CO 0.38 0.19 1.12 -2.16 -0.54 0.00 0.00 174.62 173.61 1x5f s PRO 41 N -1.93 3.15 0.27 3.99 0.04 -1.06 -4.22 135.00 135.24 1x5f s PRO 41 Ca 0.51 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1x5f s PRO 41 Cb -0.33 -1.98 0.56 0.00 0.04 0.00 0.00 34.50 32.78 1x5f s PRO 41 CO 0.42 -1.00 1.79 0.00 0.04 0.00 0.00 177.00 178.25 1x5f h ALA 42 N 0.76 1.39 -0.71 8.56 0.00 -1.82 -0.82 119.26 126.62 1x5f h ALA 42 Ca -0.49 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1x5f h ALA 42 Cb 1.26 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1x5f h ALA 42 CO 0.56 0.02 0.27 0.77 0.00 0.00 0.00 179.25 180.87 1x5f h SER 43 N 0.76 0.99 -3.48 0.00 0.02 -1.92 -3.38 113.55 106.54 1x5f h SER 43 Ca 0.48 -0.18 -0.62 0.00 -0.84 0.00 0.00 61.79 60.63 1x5f h SER 43 Cb 0.62 -0.26 -0.40 0.00 0.14 0.00 0.00 62.40 62.50 1x5f h SER 43 CO -0.33 0.91 -0.74 -1.81 -1.14 0.00 0.00 176.83 173.72 1x5f s ASP 44 N -6.27 4.37 0.00 3.07 1.01 -0.32 -4.96 116.67 113.56 1x5f s ASP 44 Ca -0.12 -1.82 0.14 0.00 0.71 0.00 0.00 52.55 51.46 1x5f s ASP 44 Cb 0.14 -1.28 0.63 0.00 1.01 0.00 0.00 42.92 43.43 1x5f s ASP 44 CO 0.82 -0.37 1.45 -0.81 0.21 0.00 0.00 175.17 176.47 1x5f n PRO 45 N 4.53 0.04 -0.02 8.23 -0.04 -1.17 -2.57 135.00 144.01 1x5f n PRO 45 Ca -0.01 0.23 -0.01 0.00 -0.04 0.00 0.00 63.50 63.68 1x5f n PRO 45 Cb 0.42 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.46 0.00 -3.11 0.54 8.25 -1.26 -4.79 115.22 113.38 1x5f n HIS 46 Ca 0.04 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.27 1x5f n HIS 46 Cb 0.16 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 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 2.53 -0.21 0.05 -1.41 0.00 -1.13 -4.68 105.19 100.34 1x5f n GLY 47 Ca -0.05 0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1x5f n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x5f n ASP 48 N -0.93 0.15 -2.01 1.61 2.03 -1.26 -4.05 116.55 112.09 1x5f n ASP 48 Ca 0.06 0.06 -0.05 0.00 0.52 0.00 0.00 54.79 55.39 1x5f n ASP 48 Cb 0.24 1.40 0.32 0.00 -0.72 0.00 0.00 41.12 42.36 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 -2.50 4.97 -3.73 1.67 0.23 -1.26 -4.34 115.26 110.30 1x5f n ASN 49 Ca -0.13 -3.18 -0.12 0.00 -0.53 0.00 0.00 54.58 50.62 1x5f n ASN 49 Cb 0.77 -0.74 -0.12 0.00 -2.08 0.00 0.00 39.78 37.60 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 -2.94 0.36 0.70 -4.53 0.05 -1.26 -4.52 118.68 106.54 1x5f s LEU 50 Ca 0.55 0.61 -0.11 0.00 0.05 0.00 0.00 54.13 55.23 1x5f s LEU 50 Cb 0.44 0.90 0.01 0.00 -2.05 0.00 0.00 46.19 45.48 1x5f s LEU 50 CO 0.14 -0.16 1.06 -0.89 -0.55 0.00 0.00 176.35 175.95 1x5f s THR 51 N 1.16 3.97 -0.13 5.48 2.01 0.48 -3.31 115.64 125.29 1x5f s THR 51 Ca -0.08 0.64 0.02 0.00 0.31 0.00 0.00 61.69 62.58 1x5f s THR 51 Cb -0.09 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.95 1x5f s THR 51 CO -0.08 -0.84 -0.20 -0.31 -0.69 0.00 0.00 174.62 172.50 1x5f s TYR 52 N -3.14 2.47 -0.13 4.92 2.02 -1.26 0.95 117.35 123.17 1x5f s TYR 52 Ca 0.58 -1.20 -0.05 0.00 -0.37 0.00 0.00 57.07 56.02 1x5f s TYR 52 Cb -0.13 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 1x5f s TYR 52 CO 0.54 -0.56 0.07 -1.12 -1.57 0.00 0.00 175.55 172.91 1x5f s SER 53 N 0.81 5.75 -0.27 2.29 0.01 0.85 -2.84 113.70 120.30 1x5f s SER 53 Ca -0.08 0.24 -0.01 0.00 1.31 0.00 0.00 55.95 57.41 1x5f s SER 53 Cb -0.16 -1.82 0.04 0.00 0.21 0.00 0.00 66.02 64.29 1x5f s SER 53 CO -0.01 0.33 -0.04 -0.69 0.41 0.00 0.00 173.24 173.24 1x5f s VAL 54 N -0.56 2.83 -0.33 3.43 1.01 -1.04 -1.37 120.40 124.37 1x5f s VAL 54 Ca 0.11 -1.26 -0.12 0.00 0.00 0.00 0.00 61.98 60.71 1x5f s VAL 54 Cb -0.12 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1x5f s VAL 54 CO 0.02 0.04 0.21 -0.36 0.00 0.00 0.00 175.10 175.01 1x5f s PHE 55 N 1.26 3.21 -0.04 5.22 0.40 -0.10 -0.52 117.98 127.42 1x5f s PHE 55 Ca -0.03 -0.27 0.03 0.00 -0.60 0.00 0.00 56.93 56.06 1x5f s PHE 55 Cb -0.18 -2.44 -0.03 0.00 0.51 0.00 0.00 43.02 40.88 1x5f s PHE 55 CO -0.03 -0.37 -0.12 1.52 0.70 0.00 0.00 175.22 176.93 1x5f s TYR 56 N 1.70 2.77 -0.25 0.36 1.13 -0.36 -0.82 117.35 121.88 1x5f s TYR 56 Ca 0.06 -0.10 -0.14 0.00 -1.41 0.00 0.00 57.07 55.47 1x5f s TYR 56 Cb -0.17 -1.63 0.07 0.00 -1.10 0.00 0.00 41.96 39.13 1x5f s TYR 56 CO 0.09 0.25 0.62 -0.08 -2.51 0.00 0.00 175.55 173.93 1x5f s THR 57 N -0.80 -0.01 0.24 -3.49 -1.32 -0.99 -1.48 115.64 107.80 1x5f s THR 57 Ca 0.13 0.02 -0.31 0.00 -1.21 0.00 0.00 61.69 60.32 1x5f s THR 57 Cb -0.11 -0.90 -0.14 0.00 -1.51 0.00 0.00 72.50 69.84 1x5f s THR 57 CO 0.02 0.01 1.26 1.17 -2.21 0.00 0.00 174.62 174.87 1x5f n LYS 58 N 4.29 1.69 -1.57 7.08 4.81 -1.26 -1.37 118.16 131.84 1x5f n LYS 58 Ca -0.21 0.60 -0.60 0.00 -0.87 0.00 0.00 58.31 57.24 1x5f n LYS 58 Cb 0.58 -2.15 -0.08 0.00 0.02 0.00 0.00 35.03 33.40 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 1.54 0.20 0.00 1.64 0.00 -1.24 -0.34 120.64 122.44 1x5f n GLU 59 Ca 0.11 0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.35 1x5f n GLU 59 Cb 0.30 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 30.14 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 2.22 2.57 3.53 8.31 0.00 -1.26 -5.02 105.19 115.54 1x5f n GLY 60 Ca 0.22 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 2.83 -0.05 -0.61 2.08 0.53 -4.93 119.36 119.21 1x5f n ILE 61 Ca 0.00 -0.50 0.02 0.00 0.56 0.00 0.00 62.75 62.83 1x5f n ILE 61 Cb 0.00 -0.87 -0.15 0.00 -0.75 0.00 0.00 39.64 37.87 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 -1.67 2.21 -2.66 -1.39 0.00 -1.26 -4.83 120.51 110.91 1x5f n ALA 62 Ca 0.12 -0.83 -0.40 0.00 0.00 0.00 0.00 53.44 52.34 1x5f n ALA 62 Cb 0.47 -0.45 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.99 4.23 0.02 0.00 3.00 -1.26 -5.06 118.95 116.90 1x5f s ARG 63 Ca -0.08 0.68 0.06 0.00 0.00 0.00 0.00 55.73 56.39 1x5f s ARG 63 Cb 0.10 -3.57 -0.02 0.00 0.00 0.00 0.00 34.95 31.46 1x5f s ARG 63 CO 0.82 -0.24 -0.18 -1.83 0.00 0.00 0.00 175.30 173.86 1x5f s GLU 64 N 1.90 1.33 -0.14 3.54 1.03 -1.26 -4.67 118.70 120.42 1x5f s GLU 64 Ca 0.30 -0.80 -0.07 0.00 0.03 0.00 0.00 54.97 54.43 1x5f s GLU 64 Cb -0.16 -1.36 -0.04 0.00 -0.80 0.00 0.00 34.13 31.76 1x5f s GLU 64 CO 0.11 0.36 0.12 1.03 -1.33 0.00 0.00 175.26 175.55 1x5f s ARG 65 N -0.90 3.64 0.14 -4.83 1.81 -0.55 -4.83 118.95 113.43 1x5f s ARG 65 Ca 0.06 -0.19 -0.06 0.00 -1.72 0.00 0.00 55.73 53.82 1x5f s ARG 65 Cb -0.08 -3.22 -0.06 0.00 -0.45 0.00 0.00 34.95 31.14 1x5f s ARG 65 CO 0.01 0.61 0.39 0.54 -0.68 0.00 0.00 175.30 176.17 1x5f s VAL 66 N -0.55 5.13 -0.23 3.52 0.11 -1.25 -1.22 120.40 125.90 1x5f s VAL 66 Ca 0.12 0.16 -0.03 0.00 -2.93 0.00 0.00 61.98 59.31 1x5f s VAL 66 Cb -0.12 -3.62 0.08 0.00 -1.53 0.00 0.00 36.38 31.18 1x5f s VAL 66 CO 0.02 0.08 0.07 -0.70 -3.33 0.00 0.00 175.10 171.24 1x5f s GLU 67 N -2.51 0.55 0.10 1.54 2.12 0.33 -4.89 118.70 115.94 1x5f s GLU 67 Ca 0.40 -0.57 -0.31 0.00 0.36 0.00 0.00 54.97 54.86 1x5f s GLU 67 Cb -0.12 -1.91 -0.07 0.00 0.26 0.00 0.00 34.13 32.29 1x5f s GLU 67 CO 0.23 -0.78 1.23 -0.80 -0.54 0.00 0.00 175.26 174.59 1x5f s ASN 68 N 1.86 7.04 0.18 -1.70 0.01 -1.26 -2.49 114.94 118.58 1x5f s ASN 68 Ca 0.03 2.13 -0.32 0.00 -0.71 0.00 0.00 52.86 53.99 1x5f s ASN 68 Cb -0.17 -2.59 -0.12 0.00 0.41 0.00 0.00 41.25 38.78 1x5f s ASN 68 CO -0.17 -0.47 1.73 0.35 -1.51 0.00 0.00 177.10 177.03 1x5f n THR 69 N 3.54 0.08 -0.31 1.60 -2.24 -1.13 -4.81 114.28 111.01 1x5f n THR 69 Ca 0.08 -0.01 0.28 0.00 -2.27 0.00 0.00 64.05 62.13 1x5f n THR 69 Cb 0.45 -1.94 0.49 0.00 -2.10 0.00 0.00 70.33 67.23 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 4.24 0.20 -4.02 3.42 7.64 -1.26 -4.22 113.62 119.63 1x5f n SER 70 Ca 0.17 1.13 -0.14 0.00 1.01 0.00 0.00 58.87 61.03 1x5f n SER 70 Cb 0.34 -0.55 -0.13 0.00 -1.01 0.00 0.00 64.21 62.86 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 -4.96 0.58 0.02 1.43 3.76 -1.26 -5.13 115.29 109.73 1x5f s HIS 71 Ca -0.06 -0.32 -0.30 0.00 -0.15 0.00 0.00 55.06 54.22 1x5f s HIS 71 Cb 0.24 -0.35 -0.06 0.00 1.11 0.00 0.00 32.58 33.52 1x5f s HIS 71 CO 0.61 -0.05 1.44 -1.25 -0.85 0.00 0.00 174.74 174.63 1x5f s PRO 72 N -0.96 4.27 0.00 8.40 0.04 -1.26 -3.06 135.00 142.43 1x5f s PRO 72 Ca -0.05 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1x5f s PRO 72 Cb -0.07 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1x5f s PRO 72 CO 0.00 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1x5f n GLY 73 N 3.68 2.69 3.04 0.56 0.00 -1.21 -4.87 105.19 109.08 1x5f n GLY 73 Ca 0.13 -0.65 -0.52 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 0.00 -0.40 1.61 4.07 -1.17 -4.80 120.64 119.95 1x5f n GLU 74 Ca 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 1x5f n GLU 74 Cb 0.00 -1.29 0.21 0.00 -0.06 0.00 0.00 31.44 30.29 1x5f n GLU 74 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1x5f n MET 75 N 1.56 2.73 -3.68 5.31 2.81 -1.26 -4.86 117.12 119.73 1x5f n MET 75 Ca 0.18 -1.62 -0.15 0.00 -1.81 0.00 0.00 57.70 54.31 1x5f n MET 75 Cb 0.05 -1.72 -0.08 0.00 -0.71 0.00 0.00 33.22 30.76 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 -1.80 0.77 0.06 0.03 -0.21 -1.26 -1.60 119.66 115.65 1x5f s GLN 76 Ca 0.29 0.05 -0.15 0.00 0.02 0.00 0.00 55.36 55.57 1x5f s GLN 76 Cb 0.20 0.35 0.02 0.00 1.00 0.00 0.00 33.01 34.59 1x5f s GLN 76 CO 0.12 -0.21 0.34 0.54 -2.12 0.00 0.00 175.29 173.95 1x5f s VAL 77 N -1.09 0.08 -0.10 1.09 0.11 -0.93 -4.91 120.40 114.66 1x5f s VAL 77 Ca -0.11 -0.65 0.02 0.00 -2.93 0.00 0.00 61.98 58.31 1x5f s VAL 77 Cb -0.03 -1.03 -0.02 0.00 -1.53 0.00 0.00 36.38 33.77 1x5f s VAL 77 CO 0.06 -0.36 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.42 1x5f s THR 78 N -2.91 2.90 -0.54 5.04 2.01 -1.26 -0.59 115.64 120.30 1x5f s THR 78 Ca -0.03 -0.74 -0.02 0.00 0.31 0.00 0.00 61.69 61.22 1x5f s THR 78 Cb 0.00 -2.17 0.14 0.00 0.01 0.00 0.00 72.50 70.48 1x5f s THR 78 CO -0.06 0.55 0.33 -0.63 -0.69 0.00 0.00 174.62 174.13 1x5f s ILE 79 N -0.02 3.38 0.63 1.82 -1.09 -0.96 -4.97 121.20 119.99 1x5f s ILE 79 Ca -0.04 -2.72 -0.05 0.00 -2.23 0.00 0.00 60.65 55.61 1x5f s ILE 79 Cb -0.14 -3.26 0.13 0.00 -1.58 0.00 0.00 42.46 37.61 1x5f s ILE 79 CO 0.04 -0.80 0.86 0.00 -1.23 0.00 0.00 174.94 173.82 1x5f n GLN 80 N 3.79 -0.33 -3.16 2.79 6.02 -1.26 -2.22 117.38 123.00 1x5f n GLN 80 Ca 0.04 -1.92 -0.15 0.00 -0.01 0.00 0.00 57.00 54.97 1x5f n GLN 80 Cb 0.38 -0.71 0.06 0.00 1.02 0.00 0.00 30.24 30.99 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 -3.19 -3.63 -4.70 1.08 3.02 -0.98 -4.91 115.26 101.95 1x5f n ASN 81 Ca 0.13 -0.42 -0.27 0.00 -0.03 0.00 0.00 54.58 53.99 1x5f n ASN 81 Cb 0.45 -3.80 -0.09 0.00 -0.61 0.00 0.00 39.78 35.74 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 -5.34 2.92 -0.11 3.41 1.43 -0.45 -5.04 118.68 115.49 1x5f s LEU 82 Ca 0.22 -1.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.02 1x5f s LEU 82 Cb -0.10 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 1x5f s LEU 82 CO 0.53 -0.56 -0.00 -0.32 0.23 0.00 0.00 176.35 176.22 1x5f s MET 83 N -3.84 3.22 0.60 1.70 -2.45 -1.26 -4.57 119.30 112.71 1x5f s MET 83 Ca 0.35 -0.42 -0.17 0.00 -1.25 0.00 0.00 55.69 54.19 1x5f s MET 83 Cb 0.06 -2.86 -0.03 0.00 1.25 0.00 0.00 34.83 33.25 1x5f s MET 83 CO 0.19 0.57 1.12 -1.25 1.05 0.00 0.00 175.02 176.69 1x5f s PRO 84 N -0.51 3.08 -1.52 4.11 0.04 -0.96 -3.53 135.00 135.72 1x5f s PRO 84 Ca 0.09 1.50 -0.12 0.00 0.04 0.00 0.00 61.00 62.50 1x5f s PRO 84 Cb -0.12 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.52 1x5f s PRO 84 CO 0.02 -1.05 0.93 0.00 0.04 0.00 0.00 177.00 176.95 1x5f n ALA 85 N -1.86 -1.38 -3.70 8.56 0.00 -1.10 -4.84 120.51 116.21 1x5f n ALA 85 Ca 0.11 0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.48 1x5f n ALA 85 Cb 0.51 -4.11 -0.18 0.00 0.00 0.00 0.00 19.45 15.67 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 -3.35 0.03 0.44 0.00 2.01 -1.23 -4.90 115.64 108.63 1x5f s THR 86 Ca 0.59 0.32 -0.25 0.00 0.31 0.00 0.00 61.69 62.65 1x5f s THR 86 Cb -0.29 -0.28 -0.08 0.00 0.01 0.00 0.00 72.50 71.86 1x5f s THR 86 CO 0.83 0.19 1.33 -0.69 -0.69 0.00 0.00 174.62 175.59 1x5f s VAL 87 N 2.11 2.46 -0.06 3.82 1.01 -1.26 -3.45 120.40 125.03 1x5f s VAL 87 Ca 0.05 0.40 -0.03 0.00 0.00 0.00 0.00 61.98 62.40 1x5f s VAL 87 Cb -0.12 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.07 1x5f s VAL 87 CO -0.04 0.05 0.14 -0.31 0.00 0.00 0.00 175.10 174.93 1x5f s TYR 88 N -1.28 -0.15 -0.52 5.22 2.02 0.14 -3.61 117.35 119.18 1x5f s TYR 88 Ca 0.60 0.46 -0.21 0.00 -0.37 0.00 0.00 57.07 57.55 1x5f s TYR 88 Cb -0.39 -0.11 0.05 0.00 -0.40 0.00 0.00 41.96 41.12 1x5f s TYR 88 CO 0.49 -0.16 0.73 0.42 -1.57 0.00 0.00 175.55 175.46 1x5f s ILE 89 N 1.22 4.72 0.19 2.71 -1.09 -0.47 -1.61 121.20 126.86 1x5f s ILE 89 Ca -0.09 -0.25 -0.09 0.00 -2.23 0.00 0.00 60.65 58.00 1x5f s ILE 89 Cb -0.12 -4.38 -0.07 0.00 -1.58 0.00 0.00 42.46 36.32 1x5f s ILE 89 CO -0.06 -0.91 0.50 -0.36 -1.23 0.00 0.00 174.94 172.88 1x5f s PHE 90 N 3.06 3.46 -0.10 3.97 0.40 -0.71 -2.35 117.98 125.71 1x5f s PHE 90 Ca 0.20 0.80 -0.03 0.00 -0.60 0.00 0.00 56.93 57.30 1x5f s PHE 90 Cb -0.17 -2.20 0.05 0.00 0.51 0.00 0.00 43.02 41.21 1x5f s PHE 90 CO 0.14 0.34 0.14 1.03 0.70 0.00 0.00 175.22 177.57 1x5f s ARG 91 N -2.66 0.03 0.01 0.44 0.52 -0.00 -1.14 118.95 116.14 1x5f s ARG 91 Ca 0.44 0.42 -0.11 0.00 -0.52 0.00 0.00 55.73 55.97 1x5f s ARG 91 Cb -0.12 -0.58 -0.05 0.00 0.52 0.00 0.00 34.95 34.72 1x5f s ARG 91 CO 0.22 -0.38 0.34 0.08 0.02 0.00 0.00 175.30 175.58 1x5f s VAL 92 N 2.26 5.16 -0.14 3.52 1.01 -1.26 -0.93 120.40 130.03 1x5f s VAL 92 Ca 0.04 0.51 -0.12 0.00 0.00 0.00 0.00 61.98 62.41 1x5f s VAL 92 Cb -0.13 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.67 1x5f s VAL 92 CO -0.06 0.45 0.37 -0.32 0.00 0.00 0.00 175.10 175.54 1x5f s MET 93 N -1.46 0.42 0.48 2.72 0.00 -0.47 -0.11 119.30 120.88 1x5f s MET 93 Ca 0.26 0.54 -0.08 0.00 0.00 0.00 0.00 55.69 56.41 1x5f s MET 93 Cb -0.15 0.18 -0.05 0.00 0.00 0.00 0.00 34.83 34.81 1x5f s MET 93 CO 0.14 -0.06 0.83 0.00 0.00 0.00 0.00 175.02 175.92 1x5f s ALA 94 N 0.34 3.33 -0.16 4.11 0.00 -1.26 -0.11 121.76 128.01 1x5f s ALA 94 Ca -0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 1x5f s ALA 94 Cb -0.03 -2.72 0.08 0.00 0.00 0.00 0.00 23.12 20.45 1x5f s ALA 94 CO -0.01 -0.30 0.22 -0.65 0.00 0.00 0.00 175.76 175.01 1x5f s GLN 95 N -4.53 0.15 0.47 0.00 -0.21 0.27 -3.09 119.66 112.72 1x5f s GLN 95 Ca 0.50 0.39 0.03 0.00 0.02 0.00 0.00 55.36 56.31 1x5f s GLN 95 Cb -0.10 -0.77 0.03 0.00 1.00 0.00 0.00 33.01 33.17 1x5f s GLN 95 CO 0.42 -0.51 0.29 0.27 -2.12 0.00 0.00 175.29 173.64 1x5f n ASN 96 N 5.33 2.68 -0.45 5.90 0.23 -1.14 -0.39 115.26 127.41 1x5f n ASN 96 Ca -0.05 -2.72 0.39 0.00 -0.53 0.00 0.00 54.58 51.66 1x5f n ASN 96 Cb 0.50 0.03 0.59 0.00 -2.08 0.00 0.00 39.78 38.82 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 -1.53 0.01 0.00 -3.83 0.00 -1.26 -1.05 118.16 110.50 1x5f n LYS 97 Ca -0.05 0.96 0.00 0.00 -0.00 0.00 0.00 58.31 59.21 1x5f n LYS 97 Cb 0.55 -2.28 0.00 0.00 -0.00 0.00 0.00 35.03 33.30 1x5f n LYS 97 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1x5f n HIS 98 N -3.44 0.00 0.00 5.58 8.25 -1.26 -5.09 115.22 119.25 1x5f n HIS 98 Ca 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1x5f n HIS 98 Cb 1.64 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 32.32 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 1.25 -0.62 3.64 -1.41 0.00 -0.22 -5.10 105.19 102.73 1x5f n GLY 99 Ca 0.00 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 6.90 0.00 1.61 1.04 -1.26 -2.90 113.70 115.08 1x5f s SER 100 Ca 0.00 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.47 1x5f s SER 100 Cb 0.00 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1x5f s SER 100 CO 0.00 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1x5f n GLY 101 N 3.80 1.78 3.49 7.32 0.00 -1.18 -4.96 105.19 115.44 1x5f n GLY 101 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 0.13 1.88 -0.34 1.61 2.56 -1.24 -4.97 118.70 118.34 1x5f s GLU 102 Ca 0.00 -1.12 -0.19 0.00 0.00 0.00 0.00 54.97 53.66 1x5f s GLU 102 Cb 0.00 -2.15 -0.00 0.00 2.00 0.00 0.00 34.13 33.98 1x5f s GLU 102 CO 0.00 0.50 0.59 -1.54 -0.56 0.00 0.00 175.26 174.25 1x5f s SER 103 N -1.97 6.41 0.99 -1.70 1.04 -1.26 -3.14 113.70 114.07 1x5f s SER 103 Ca 0.17 0.18 -0.15 0.00 0.48 0.00 0.00 55.95 56.63 1x5f s SER 103 Cb -0.11 -2.31 0.10 0.00 0.10 0.00 0.00 66.02 63.81 1x5f s SER 103 CO 0.09 -0.51 0.01 -1.54 0.98 0.00 0.00 173.24 172.27 1x5f n SER 104 N 5.89 -2.79 -4.77 7.02 3.41 0.84 -4.88 113.62 118.34 1x5f n SER 104 Ca -0.02 -0.26 -0.37 0.00 -0.26 0.00 0.00 58.87 57.95 1x5f n SER 104 Cb 0.49 -0.76 -0.00 0.00 -0.26 0.00 0.00 64.21 63.68 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 -2.10 2.97 -0.40 7.33 0.00 -1.26 -4.66 121.76 123.65 1x5f s ALA 105 Ca 0.38 1.02 -0.28 0.00 0.00 0.00 0.00 51.96 53.08 1x5f s ALA 105 Cb -0.05 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 1x5f s ALA 105 CO 0.42 -0.78 1.73 -1.25 0.00 0.00 0.00 175.76 175.88 1x5f s PRO 106 N -2.69 3.26 -0.35 0.00 0.04 -1.26 -4.68 135.00 129.32 1x5f s PRO 106 Ca 0.64 1.18 -0.24 0.00 0.04 0.00 0.00 61.00 62.63 1x5f s PRO 106 Cb -0.31 -4.19 0.01 0.00 0.04 0.00 0.00 34.50 30.04 1x5f s PRO 106 CO 0.38 -1.95 0.83 -1.17 0.04 0.00 0.00 177.00 175.13 1x5f s LEU 107 N 6.96 4.08 -0.69 -3.56 2.96 -0.29 -4.87 118.68 123.27 1x5f s LEU 107 Ca 0.74 0.50 -0.26 0.00 -0.22 0.00 0.00 54.13 54.88 1x5f s LEU 107 Cb -0.19 -3.11 0.04 0.00 0.50 0.00 0.00 46.19 43.43 1x5f s LEU 107 CO 0.31 -0.74 1.20 -0.60 -1.32 0.00 0.00 176.35 175.20 1x5f s ARG 108 N 3.17 3.23 -0.12 1.98 3.52 -1.26 -1.74 118.95 127.73 1x5f s ARG 108 Ca 0.34 -0.26 -0.00 0.00 -0.13 0.00 0.00 55.73 55.67 1x5f s ARG 108 Cb -0.13 -4.16 -0.02 0.00 -1.56 0.00 0.00 34.95 29.08 1x5f s ARG 108 CO 0.16 -1.99 -0.10 0.08 -0.81 0.00 0.00 175.30 172.64 1x5f s VAL 109 N 5.26 3.31 -0.17 7.11 1.01 -0.64 -4.94 120.40 131.33 1x5f s VAL 109 Ca 0.34 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1x5f s VAL 109 Cb -0.10 -2.39 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 1x5f s VAL 109 CO 0.16 0.53 -0.13 -0.70 0.00 0.00 0.00 175.10 174.96 1x5f s GLU 110 N 0.14 3.23 1.22 2.72 2.12 -1.26 0.27 118.70 127.14 1x5f s GLU 110 Ca -0.05 -0.73 -0.20 0.00 0.36 0.00 0.00 54.97 54.35 1x5f s GLU 110 Cb -0.15 -2.71 0.31 0.00 0.26 0.00 0.00 34.13 31.84 1x5f s GLU 110 CO 0.04 -0.06 1.00 0.25 -0.54 0.00 0.00 175.26 175.95 1x5f n THR 111 N 4.31 0.00 -4.20 -1.70 -2.24 -1.22 -4.91 114.28 104.31 1x5f n THR 111 Ca -0.19 -0.37 -0.32 0.00 -2.27 0.00 0.00 64.05 60.90 1x5f n THR 111 Cb 0.51 -1.17 -0.08 0.00 -2.10 0.00 0.00 70.33 67.49 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 -5.29 2.79 -0.34 -0.78 -1.52 -1.26 -3.68 119.66 109.58 1x5f s GLN 112 Ca 0.67 -0.64 -0.29 0.00 -1.95 0.00 0.00 55.36 53.15 1x5f s GLN 112 Cb -0.08 -2.68 -0.01 0.00 -0.22 0.00 0.00 33.01 30.02 1x5f s GLN 112 CO 0.52 0.61 1.69 -1.25 -0.25 0.00 0.00 175.29 176.61 1x5f s PRO 113 N -1.81 3.44 -0.21 2.91 0.04 -1.26 -2.70 135.00 135.40 1x5f s PRO 113 Ca 0.22 1.34 -0.06 0.00 0.04 0.00 0.00 61.00 62.54 1x5f s PRO 113 Cb -0.12 -4.14 -0.11 0.00 0.04 0.00 0.00 34.50 30.17 1x5f s PRO 113 CO 0.14 -1.73 -0.24 -0.85 0.04 0.00 0.00 177.00 174.35 1x5f n GLU 114 N 8.28 0.48 -1.04 4.56 -0.00 -1.26 -4.97 120.64 126.69 1x5f n GLU 114 Ca 0.21 0.17 -0.36 0.00 -0.00 0.00 0.00 57.16 57.18 1x5f n GLU 114 Cb 0.47 -1.32 -0.02 0.00 -0.00 0.00 0.00 31.44 30.56 1x5f n GLU 114 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1x5f n SER 115 N -3.63 -0.86 0.00 -1.84 3.41 -1.26 -4.75 113.62 104.69 1x5f n SER 115 Ca -0.40 0.83 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1x5f n SER 115 Cb 0.83 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1x5f n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5f n GLY 116 N 1.45 -0.12 0.00 5.00 0.00 -1.26 -4.90 105.19 105.37 1x5f n GLY 116 Ca 0.13 -1.24 0.07 0.00 0.00 0.00 0.00 46.02 44.99 1x5f n GLY 116 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5f n PRO 117 N 0.00 0.26 -0.09 1.61 -0.04 -1.26 -3.87 135.00 131.61 1x5f n PRO 117 Ca 0.00 0.12 -0.09 0.00 -0.04 0.00 0.00 63.50 63.49 1x5f n PRO 117 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1x5f n PRO 117 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x5f h SER 118 N 0.00 -1.26 0.81 3.54 0.87 -1.90 -2.95 113.55 112.66 1x5f h SER 118 Ca 0.00 0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1x5f h SER 118 Cb 0.11 0.51 0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1x5f h SER 118 CO 0.00 -0.28 -0.39 -1.28 -0.53 0.00 0.00 176.83 174.36 1x5f h SER 119 N -0.28 -0.92 0.00 6.23 0.87 -1.94 -3.54 113.55 113.97 1x5f h SER 119 Ca 0.05 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1x5f h SER 119 Cb 0.41 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1x5f h SER 119 CO -0.40 -0.59 0.00 0.61 -0.53 0.00 0.00 176.83 175.93