#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 4.83 -0.14 1.61 1.04 -1.26 -5.11 113.70 114.68 1x5f s SER 2 Ca 0.00 -0.02 -0.15 0.00 0.48 0.00 0.00 55.95 56.27 1x5f s SER 2 Cb 0.00 -1.23 -0.05 0.00 0.10 0.00 0.00 66.02 64.84 1x5f s SER 2 CO 0.00 0.33 0.34 -0.55 0.98 0.00 0.00 173.24 174.34 1x5f s SER 3 N -1.10 6.52 1.02 7.02 0.15 -1.26 -5.06 113.70 120.99 1x5f s SER 3 Ca 0.15 0.61 -0.17 0.00 0.70 0.00 0.00 55.95 57.24 1x5f s SER 3 Cb -0.11 -2.21 0.01 0.00 -1.71 0.00 0.00 66.02 62.00 1x5f s SER 3 CO 0.05 0.10 -0.07 0.61 1.20 0.00 0.00 173.24 175.13 1x5f n GLY 4 N 3.21 -2.63 2.41 9.45 0.00 -1.26 -4.86 105.19 111.51 1x5f n GLY 4 Ca -0.11 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 1x5f n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5f n SER 5 N -0.36 7.35 -3.73 1.61 7.64 -1.26 -4.81 113.62 120.07 1x5f n SER 5 Ca 0.03 -3.62 -0.26 0.00 1.01 0.00 0.00 58.87 56.02 1x5f n SER 5 Cb 0.59 -1.04 0.06 0.00 -1.01 0.00 0.00 64.21 62.81 1x5f n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x5f n SER 6 N -0.45 -5.59 -3.89 6.43 2.88 -1.26 -4.97 113.62 106.78 1x5f n SER 6 Ca 0.54 -0.64 -0.09 0.00 -1.33 0.00 0.00 58.87 57.35 1x5f n SER 6 Cb 0.53 -4.56 -0.04 0.00 -0.75 0.00 0.00 64.21 59.39 1x5f n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5f s GLY 7 N -3.36 0.37 -0.14 0.46 0.00 -1.26 -5.17 107.32 98.22 1x5f s GLY 7 Ca 0.60 -0.72 -0.09 0.00 0.00 0.00 0.00 44.72 44.51 1x5f s GLY 7 CO 0.77 -0.46 0.34 -1.83 0.00 0.00 0.00 173.10 171.92 1x5f s GLU 8 N -3.89 0.34 0.97 2.90 4.04 -1.26 -4.99 118.70 116.81 1x5f s GLU 8 Ca 0.19 0.61 -0.14 0.00 0.04 0.00 0.00 54.97 55.68 1x5f s GLU 8 Cb -0.02 0.02 0.01 0.00 0.02 0.00 0.00 34.13 34.15 1x5f s GLU 8 CO 0.09 -0.12 0.18 -2.39 -1.84 0.00 0.00 175.26 171.17 1x5f n HIS 9 N 3.80 -2.05 -3.76 4.83 1.44 -1.26 -4.97 115.22 113.25 1x5f n HIS 9 Ca -0.20 0.19 -0.35 0.00 -2.01 0.00 0.00 57.72 55.34 1x5f n HIS 9 Cb 0.55 -1.71 -0.05 0.00 0.12 0.00 0.00 29.99 28.90 1x5f n HIS 9 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1x5f s ALA 10 N -2.32 3.84 0.89 1.59 0.00 -1.26 -5.09 121.76 119.41 1x5f s ALA 10 Ca 0.54 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.83 1x5f s ALA 10 Cb -0.20 -2.07 0.13 0.00 0.00 0.00 0.00 23.12 20.97 1x5f s ALA 10 CO 0.70 0.63 1.09 -1.25 0.00 0.00 0.00 175.76 176.93 1x5f s PRO 11 N -1.60 1.30 -0.54 0.00 0.04 -1.26 -5.01 135.00 127.93 1x5f s PRO 11 Ca 0.25 0.84 0.06 0.00 0.04 0.00 0.00 61.00 62.19 1x5f s PRO 11 Cb -0.13 -1.81 0.35 0.00 0.04 0.00 0.00 34.50 32.94 1x5f s PRO 11 CO 0.14 -2.21 0.92 0.00 0.04 0.00 0.00 177.00 175.89 1x5f n ALA 12 N -3.87 4.28 -1.52 8.56 0.00 -1.26 -4.90 120.51 121.80 1x5f n ALA 12 Ca 0.07 -4.48 -0.31 0.00 0.00 0.00 0.00 53.44 48.72 1x5f n ALA 12 Cb 0.55 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.18 3.37 -2.72 0.00 -2.24 -1.26 -4.96 114.28 106.30 1x5f n THR 13 Ca 0.30 -3.20 -0.43 0.00 -2.27 0.00 0.00 64.05 58.45 1x5f n THR 13 Cb 0.45 -1.39 -0.03 0.00 -2.10 0.00 0.00 70.33 67.26 1x5f n THR 13 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1x5f s THR 14 N -3.48 4.73 0.50 4.28 -4.23 -1.26 -5.04 115.64 111.14 1x5f s THR 14 Ca 0.54 1.92 0.05 0.00 -1.18 0.00 0.00 61.69 63.02 1x5f s THR 14 Cb 0.40 -4.26 0.01 0.00 1.34 0.00 0.00 72.50 69.99 1x5f s THR 14 CO -0.23 -0.13 0.30 -0.83 -0.54 0.00 0.00 174.62 173.19 1x5f s GLY 15 N 1.22 2.44 0.54 3.99 0.00 -1.26 -5.12 107.32 109.14 1x5f s GLY 15 Ca 0.42 -1.34 -0.19 0.00 0.00 0.00 0.00 44.72 43.61 1x5f s GLY 15 CO 0.08 -1.95 1.13 2.56 0.00 0.00 0.00 173.10 174.91 1x5f s PRO 16 N -4.14 3.35 0.19 2.90 0.04 -1.26 -5.05 135.00 131.03 1x5f s PRO 16 Ca 0.32 1.61 0.04 0.00 0.04 0.00 0.00 61.00 63.02 1x5f s PRO 16 Cb -0.01 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1x5f s PRO 16 CO 0.19 -0.85 0.29 -0.51 0.04 0.00 0.00 177.00 176.16 1x5f s LEU 17 N -3.80 4.23 0.00 -3.56 1.43 -1.26 -5.00 118.68 110.72 1x5f s LEU 17 Ca 0.73 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 1x5f s LEU 17 Cb -0.24 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1x5f s LEU 17 CO 0.27 0.00 0.00 -0.81 0.23 0.00 0.00 176.35 176.04 1x5f n PRO 18 N -0.87 -0.35 -4.37 1.29 -0.04 -1.26 -4.90 135.00 124.50 1x5f n PRO 18 Ca -0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.17 1x5f n PRO 18 Cb 0.55 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.91 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 2.85 0.62 3.54 0.15 -1.26 -3.40 113.70 114.69 1x5f s SER 19 Ca 0.00 -0.97 -0.16 0.00 0.70 0.00 0.00 55.95 55.52 1x5f s SER 19 Cb 0.00 -0.18 -0.02 0.00 -1.71 0.00 0.00 66.02 64.11 1x5f s SER 19 CO 0.00 -0.08 1.10 0.00 1.20 0.00 0.00 173.24 175.47 1x5f s ALA 20 N -2.56 2.57 0.69 5.45 0.00 -1.08 -4.49 121.76 122.33 1x5f s ALA 20 Ca 0.22 0.57 -0.14 0.00 0.00 0.00 0.00 51.96 52.61 1x5f s ALA 20 Cb -0.03 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.79 1x5f s ALA 20 CO 0.09 -1.08 1.11 -1.25 0.00 0.00 0.00 175.76 174.62 1x5f s PRO 21 N -3.94 2.67 0.53 0.00 0.04 -1.26 -4.39 135.00 128.65 1x5f s PRO 21 Ca 0.67 1.33 0.06 0.00 0.04 0.00 0.00 61.00 63.11 1x5f s PRO 21 Cb -0.20 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.44 1x5f s PRO 21 CO 0.38 -1.34 0.44 1.03 0.04 0.00 0.00 177.00 177.54 1x5f s ARG 22 N -4.30 2.28 -1.51 4.56 1.81 -1.22 -4.68 118.95 115.90 1x5f s ARG 22 Ca 0.65 -1.94 -0.09 0.00 -1.72 0.00 0.00 55.73 52.64 1x5f s ARG 22 Cb -0.20 -2.18 0.07 0.00 -0.45 0.00 0.00 34.95 32.19 1x5f s ARG 22 CO 0.45 -0.60 0.73 -0.25 -0.68 0.00 0.00 175.30 174.95 1x5f n ASP 23 N -1.79 -2.59 -4.57 0.23 9.92 -1.26 -0.42 116.55 116.06 1x5f n ASP 23 Ca 0.01 -0.91 -0.41 0.00 -0.53 0.00 0.00 54.79 52.94 1x5f n ASP 23 Cb 0.64 -3.39 -0.03 0.00 -0.64 0.00 0.00 41.12 37.70 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 -3.54 3.73 0.31 2.53 1.01 -1.26 -4.09 120.40 119.10 1x5f s VAL 24 Ca 0.40 0.61 0.04 0.00 0.00 0.00 0.00 61.98 63.03 1x5f s VAL 24 Cb -0.21 -4.38 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 1x5f s VAL 24 CO 0.87 -1.14 0.20 0.68 0.00 0.00 0.00 175.10 175.70 1x5f s VAL 25 N 6.34 0.20 -0.39 2.92 -7.23 0.16 -4.99 120.40 117.40 1x5f s VAL 25 Ca 0.54 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.63 1x5f s VAL 25 Cb -0.11 -2.49 0.07 0.00 0.56 0.00 0.00 36.38 34.41 1x5f s VAL 25 CO 0.25 0.00 0.21 0.00 -0.31 0.00 0.00 175.10 175.24 1x5f s ALA 26 N -3.57 3.21 0.60 1.32 0.00 -1.26 0.41 121.76 122.46 1x5f s ALA 26 Ca 0.37 -2.06 0.30 0.00 0.00 0.00 0.00 51.96 50.57 1x5f s ALA 26 Cb 0.04 -2.52 1.81 0.00 0.00 0.00 0.00 23.12 22.45 1x5f s ALA 26 CO 0.20 -1.57 2.21 1.03 0.00 0.00 0.00 175.76 177.64 1x5f h SER 27 N 8.32 0.00 -4.64 0.00 0.87 -1.23 -3.44 113.55 113.44 1x5f h SER 27 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1x5f h SER 27 Cb 1.08 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.84 1x5f h SER 27 CO 0.71 0.00 0.34 -0.22 -0.53 0.00 0.00 176.83 177.13 1x5f s LEU 28 N -7.53 -0.53 -0.27 2.23 0.20 -1.07 -4.98 118.68 106.73 1x5f s LEU 28 Ca -0.05 0.53 0.01 0.00 0.69 0.00 0.00 54.13 55.31 1x5f s LEU 28 Cb 0.15 2.26 0.08 0.00 -0.43 0.00 0.00 46.19 48.24 1x5f s LEU 28 CO 0.53 -0.52 0.01 -0.69 -0.29 0.00 0.00 176.35 175.39 1x5f s VAL 29 N -1.37 1.50 0.52 1.68 1.01 -1.26 0.11 120.40 122.59 1x5f s VAL 29 Ca -0.06 -1.47 -0.02 0.00 0.00 0.00 0.00 61.98 60.43 1x5f s VAL 29 Cb -0.00 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.46 1x5f s VAL 29 CO 0.05 -0.34 0.78 -0.55 0.00 0.00 0.00 175.10 175.03 1x5f s SER 30 N 1.36 5.64 0.46 3.32 0.15 0.23 -4.67 113.70 120.20 1x5f s SER 30 Ca 0.01 0.40 0.26 0.00 0.70 0.00 0.00 55.95 57.32 1x5f s SER 30 Cb -0.18 -1.49 0.64 0.00 -1.71 0.00 0.00 66.02 63.27 1x5f s SER 30 CO -0.11 -0.92 1.72 0.71 1.20 0.00 0.00 173.24 175.84 1x5f h THR 31 N 0.12 0.08 -0.00 6.45 1.35 -1.96 -3.23 112.91 115.71 1x5f h THR 31 Ca -0.45 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 1x5f h THR 31 Cb 1.26 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1x5f h THR 31 CO 0.58 0.04 -0.05 0.54 -0.25 0.00 0.00 175.52 176.38 1x5f n ARG 32 N -3.12 2.36 -3.75 4.72 1.74 -1.26 -2.49 116.66 114.86 1x5f n ARG 32 Ca 0.03 -0.38 -0.08 0.00 -0.77 0.00 0.00 57.85 56.65 1x5f n ARG 32 Cb 0.47 -0.87 0.03 0.00 -1.02 0.00 0.00 32.46 31.07 1x5f n ARG 32 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1x5f n PHE 33 N -0.37 -2.15 -3.69 -1.55 1.16 -1.22 -1.43 117.46 108.21 1x5f n PHE 33 Ca 0.01 -1.72 -0.12 0.00 -1.87 0.00 0.00 57.45 53.76 1x5f n PHE 33 Cb 0.06 0.86 -0.12 0.00 -1.61 0.00 0.00 39.48 38.67 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 -2.10 -0.22 -0.14 1.97 1.01 -0.99 0.77 121.20 121.49 1x5f s ILE 34 Ca 0.17 0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.73 1x5f s ILE 34 Cb -0.04 -0.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 1x5f s ILE 34 CO 0.10 0.07 0.85 -0.75 0.00 0.00 0.00 174.94 175.21 1x5f s LYS 35 N 1.80 4.35 0.21 2.79 2.47 0.31 -2.32 119.74 129.35 1x5f s LYS 35 Ca -0.05 1.07 0.06 0.00 -1.56 0.00 0.00 55.97 55.49 1x5f s LYS 35 Cb -0.11 -3.55 -0.04 0.00 -1.46 0.00 0.00 37.83 32.68 1x5f s LYS 35 CO -0.10 -0.26 0.14 -0.51 0.16 0.00 0.00 175.35 174.78 1x5f s LEU 36 N 1.88 3.72 -0.24 5.43 2.01 -0.23 -0.83 118.68 130.42 1x5f s LEU 36 Ca 0.40 -0.24 -0.13 0.00 0.01 0.00 0.00 54.13 54.17 1x5f s LEU 36 Cb -0.17 -2.30 0.07 0.00 0.01 0.00 0.00 46.19 43.81 1x5f s LEU 36 CO 0.15 0.02 0.59 0.42 1.01 0.00 0.00 176.35 178.53 1x5f s THR 37 N -1.96 -0.04 0.18 5.49 -4.23 0.17 -2.63 115.64 112.61 1x5f s THR 37 Ca 0.32 0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 60.81 1x5f s THR 37 Cb -0.09 -0.86 -0.03 0.00 1.34 0.00 0.00 72.50 72.87 1x5f s THR 37 CO 0.23 0.01 0.21 -1.66 -0.54 0.00 0.00 174.62 172.88 1x5f s TRP 38 N 1.60 0.76 0.59 3.99 -2.14 -0.76 -0.66 118.94 122.32 1x5f s TRP 38 Ca -0.10 -1.08 0.09 0.00 2.66 0.00 0.00 56.10 57.68 1x5f s TRP 38 Cb -0.06 -0.29 0.09 0.00 -3.10 0.00 0.00 33.47 30.11 1x5f s TRP 38 CO -0.17 -0.69 0.81 1.03 -2.66 0.00 0.00 176.95 175.27 1x5f s ARG 39 N -4.06 2.25 0.39 3.25 0.52 0.44 -4.68 118.95 117.05 1x5f s ARG 39 Ca 0.27 -1.64 -0.25 0.00 -0.52 0.00 0.00 55.73 53.59 1x5f s ARG 39 Cb 0.05 -2.63 -0.09 0.00 0.52 0.00 0.00 34.95 32.81 1x5f s ARG 39 CO 0.06 -0.92 1.15 0.95 0.02 0.00 0.00 175.30 176.56 1x5f s THR 40 N -2.71 3.26 0.52 0.02 -4.23 -1.26 -3.39 115.64 107.84 1x5f s THR 40 Ca 0.62 1.06 -0.21 0.00 -1.18 0.00 0.00 61.69 61.99 1x5f s THR 40 Cb -0.05 -3.59 -0.06 0.00 1.34 0.00 0.00 72.50 70.13 1x5f s THR 40 CO 0.40 0.10 1.14 -2.16 -0.54 0.00 0.00 174.62 173.56 1x5f s PRO 41 N -2.25 3.48 0.39 3.99 0.04 -1.05 -4.27 135.00 135.33 1x5f s PRO 41 Ca 0.56 1.66 0.15 0.00 0.04 0.00 0.00 61.00 63.41 1x5f s PRO 41 Cb -0.30 -2.13 1.00 0.00 0.04 0.00 0.00 34.50 33.12 1x5f s PRO 41 CO 0.37 -0.76 1.82 0.00 0.04 0.00 0.00 177.00 178.47 1x5f h ALA 42 N 1.46 2.09 -0.26 8.56 0.00 -1.86 -0.33 119.26 128.92 1x5f h ALA 42 Ca -0.50 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 1x5f h ALA 42 Cb 1.26 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1x5f h ALA 42 CO 0.58 -0.41 -0.19 1.03 0.00 0.00 0.00 179.25 180.26 1x5f h SER 43 N 0.49 0.62 -3.68 0.00 0.87 -1.91 -3.40 113.55 106.55 1x5f h SER 43 Ca 0.52 -0.44 -0.65 0.00 -1.23 0.00 0.00 61.79 59.98 1x5f h SER 43 Cb 1.17 -0.17 -0.39 0.00 -0.44 0.00 0.00 62.40 62.56 1x5f h SER 43 CO -0.24 0.93 -0.74 -1.81 -0.53 0.00 0.00 176.83 174.44 1x5f s ASP 44 N -6.35 4.59 0.50 6.23 1.11 -0.14 -4.96 116.67 117.65 1x5f s ASP 44 Ca -0.13 -1.91 0.32 0.00 0.18 0.00 0.00 52.55 51.01 1x5f s ASP 44 Cb 0.08 -1.52 1.34 0.00 1.07 0.00 0.00 42.92 43.89 1x5f s ASP 44 CO 0.80 -0.34 1.95 1.55 1.18 0.00 0.00 175.17 180.31 1x5f h PRO 45 N 7.70 0.00 0.00 8.23 0.13 -1.77 -2.76 132.00 143.53 1x5f h PRO 45 Ca -0.09 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.94 1x5f h PRO 45 Cb 1.03 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 1x5f h PRO 45 CO 0.50 0.00 -1.56 -2.39 -0.23 0.00 0.00 178.00 174.32 1x5f n HIS 46 N -2.92 0.00 -2.53 1.56 1.44 -1.26 -4.74 115.22 106.76 1x5f n HIS 46 Ca 0.01 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.61 1x5f n HIS 46 Cb 0.28 -0.36 -0.02 0.00 0.12 0.00 0.00 29.99 30.00 1x5f n HIS 46 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1x5f n GLY 47 N 2.24 -0.33 0.13 -1.39 0.00 -1.19 -4.68 105.19 99.97 1x5f n GLY 47 Ca -0.10 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.01 1x5f n GLY 47 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1x5f h ASP 48 N -0.22 0.00 -0.62 1.61 3.58 -1.89 -3.28 116.42 115.60 1x5f h ASP 48 Ca -0.15 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.23 1x5f h ASP 48 Cb 0.80 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.81 1x5f h ASP 48 CO 0.23 0.25 0.08 -0.46 -2.88 0.00 0.00 179.24 176.46 1x5f n ASN 49 N -2.89 5.48 -3.77 2.28 2.04 -1.26 -4.54 115.26 112.60 1x5f n ASN 49 Ca -0.02 -3.03 -0.13 0.00 -0.44 0.00 0.00 54.58 50.97 1x5f n ASN 49 Cb 0.66 -0.70 -0.12 0.00 -2.53 0.00 0.00 39.78 37.09 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 -2.85 0.83 0.73 -4.53 0.05 -1.24 -4.40 118.68 107.26 1x5f s LEU 50 Ca 0.55 0.56 -0.08 0.00 0.05 0.00 0.00 54.13 55.21 1x5f s LEU 50 Cb 0.43 0.92 0.06 0.00 -2.05 0.00 0.00 46.19 45.55 1x5f s LEU 50 CO 0.15 -0.11 1.05 -0.89 -0.55 0.00 0.00 176.35 176.00 1x5f s THR 51 N 0.37 2.28 -0.06 5.48 2.01 0.28 -2.27 115.64 123.73 1x5f s THR 51 Ca -0.02 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 61.83 1x5f s THR 51 Cb -0.03 -3.02 0.01 0.00 0.01 0.00 0.00 72.50 69.46 1x5f s THR 51 CO -0.02 -0.03 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.44 1x5f s TYR 52 N -3.32 1.57 -0.05 4.92 2.02 -1.26 0.68 117.35 121.91 1x5f s TYR 52 Ca 0.60 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 1x5f s TYR 52 Cb -0.11 -1.12 -0.03 0.00 -0.40 0.00 0.00 41.96 40.30 1x5f s TYR 52 CO 0.46 -0.25 -0.03 -1.12 -1.57 0.00 0.00 175.55 173.03 1x5f s SER 53 N 0.47 4.93 -0.20 2.29 0.01 0.88 -2.76 113.70 119.32 1x5f s SER 53 Ca -0.12 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.18 1x5f s SER 53 Cb -0.15 -1.29 0.04 0.00 0.21 0.00 0.00 66.02 64.83 1x5f s SER 53 CO 0.04 0.35 -0.13 -0.69 0.41 0.00 0.00 173.24 173.22 1x5f s VAL 54 N -0.90 1.78 -0.26 3.43 1.01 -1.20 -0.94 120.40 123.32 1x5f s VAL 54 Ca 0.14 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.00 1x5f s VAL 54 Cb -0.11 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1x5f s VAL 54 CO 0.04 0.25 0.12 -0.36 0.00 0.00 0.00 175.10 175.15 1x5f s PHE 55 N 1.35 3.16 0.06 5.22 0.40 0.70 -1.54 117.98 127.33 1x5f s PHE 55 Ca -0.00 -0.15 0.09 0.00 -0.60 0.00 0.00 56.93 56.27 1x5f s PHE 55 Cb -0.16 -2.29 -0.03 0.00 0.51 0.00 0.00 43.02 41.06 1x5f s PHE 55 CO -0.09 -0.23 -0.25 1.52 0.70 0.00 0.00 175.22 176.87 1x5f s TYR 56 N 1.57 2.19 -0.25 0.36 1.13 -1.00 0.04 117.35 121.39 1x5f s TYR 56 Ca 0.06 -0.40 -0.26 0.00 -1.41 0.00 0.00 57.07 55.06 1x5f s TYR 56 Cb -0.15 -1.29 0.10 0.00 -1.10 0.00 0.00 41.96 39.52 1x5f s TYR 56 CO 0.06 0.15 0.91 -0.08 -2.51 0.00 0.00 175.55 174.08 1x5f s THR 57 N -0.85 0.00 0.10 -3.49 -1.32 -1.16 -2.10 115.64 106.82 1x5f s THR 57 Ca 0.11 0.00 -0.34 0.00 -1.21 0.00 0.00 61.69 60.25 1x5f s THR 57 Cb -0.10 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.76 1x5f s THR 57 CO 0.03 0.00 1.66 1.17 -2.21 0.00 0.00 174.62 175.26 1x5f n LYS 58 N 2.10 2.18 -0.54 7.08 4.81 -1.26 -1.52 118.16 131.00 1x5f n LYS 58 Ca -0.13 0.79 0.43 0.00 -0.87 0.00 0.00 58.31 58.52 1x5f n LYS 58 Cb 0.56 -2.58 0.65 0.00 0.02 0.00 0.00 35.03 33.68 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 4.25 0.00 -0.01 1.64 2.13 -1.26 0.14 120.64 127.54 1x5f n GLU 59 Ca 0.18 0.93 -0.22 0.00 0.66 0.00 0.00 57.16 58.72 1x5f n GLU 59 Cb 0.29 -2.17 -0.14 0.00 0.27 0.00 0.00 31.44 29.69 1x5f n GLU 59 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1x5f h GLY 60 N 0.00 0.27 -1.88 8.31 0.00 -1.93 -3.47 103.07 104.36 1x5f h GLY 60 Ca 0.75 -0.69 -0.51 0.00 0.00 0.00 0.00 47.33 46.89 1x5f h GLY 60 CO -0.01 0.60 0.40 -0.42 0.00 0.00 0.00 176.54 177.12 1x5f s ILE 61 N -2.53 3.13 -0.09 2.60 -1.09 0.38 -4.97 121.20 118.62 1x5f s ILE 61 Ca -0.23 0.61 0.18 0.00 -2.23 0.00 0.00 60.65 58.97 1x5f s ILE 61 Cb 0.06 -3.16 -0.26 0.00 -1.58 0.00 0.00 42.46 37.52 1x5f s ILE 61 CO 0.75 -0.25 0.26 0.00 -1.23 0.00 0.00 174.94 174.47 1x5f n ALA 62 N -1.93 2.19 -2.71 9.38 0.00 -1.26 -4.43 120.51 121.75 1x5f n ALA 62 Ca 0.11 -0.78 -0.42 0.00 0.00 0.00 0.00 53.44 52.35 1x5f n ALA 62 Cb 0.51 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.92 4.52 0.13 0.00 3.52 -1.26 -5.05 118.95 117.90 1x5f s ARG 63 Ca -0.08 1.37 0.08 0.00 -0.13 0.00 0.00 55.73 56.97 1x5f s ARG 63 Cb 0.09 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 1x5f s ARG 63 CO 0.76 -0.09 -0.19 -1.83 -0.81 0.00 0.00 175.30 173.14 1x5f s GLU 64 N 1.19 1.18 -0.07 5.12 1.03 -1.26 -4.63 118.70 121.26 1x5f s GLU 64 Ca 0.50 -1.28 0.03 0.00 0.03 0.00 0.00 54.97 54.24 1x5f s GLU 64 Cb -0.20 -1.32 -0.02 0.00 -0.80 0.00 0.00 34.13 31.79 1x5f s GLU 64 CO 0.25 0.28 -0.14 1.03 -1.33 0.00 0.00 175.26 175.36 1x5f s ARG 65 N -2.39 2.73 -0.04 -4.83 0.52 -0.89 -4.88 118.95 109.17 1x5f s ARG 65 Ca 0.11 -0.69 -0.12 0.00 -0.52 0.00 0.00 55.73 54.52 1x5f s ARG 65 Cb -0.08 -2.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.89 1x5f s ARG 65 CO 0.05 0.53 0.31 0.54 0.02 0.00 0.00 175.30 176.75 1x5f s VAL 66 N -0.47 5.21 -0.29 3.52 0.11 -1.26 -2.38 120.40 124.84 1x5f s VAL 66 Ca 0.06 0.58 0.01 0.00 -2.93 0.00 0.00 61.98 59.70 1x5f s VAL 66 Cb -0.12 -3.60 0.08 0.00 -1.53 0.00 0.00 36.38 31.22 1x5f s VAL 66 CO 0.02 0.57 0.01 -0.70 -3.33 0.00 0.00 175.10 171.67 1x5f s GLU 67 N -1.13 1.37 0.01 1.54 -6.30 -0.59 -4.91 118.70 108.69 1x5f s GLU 67 Ca 0.21 -1.28 -0.30 0.00 -2.50 0.00 0.00 54.97 51.10 1x5f s GLU 67 Cb -0.15 -2.63 -0.06 0.00 0.00 0.00 0.00 34.13 31.29 1x5f s GLU 67 CO 0.11 -0.80 1.38 -0.80 0.02 0.00 0.00 175.26 175.17 1x5f s ASN 68 N 1.30 6.87 0.04 -1.70 0.02 -1.26 -3.24 114.94 116.96 1x5f s ASN 68 Ca 0.03 2.10 -0.33 0.00 -1.02 0.00 0.00 52.86 53.64 1x5f s ASN 68 Cb -0.19 -2.56 -0.12 0.00 0.02 0.00 0.00 41.25 38.40 1x5f s ASN 68 CO -0.11 -0.69 1.79 0.35 0.02 0.00 0.00 177.10 178.45 1x5f n THR 69 N 4.57 0.37 -0.24 1.60 -2.24 -1.11 -4.80 114.28 112.43 1x5f n THR 69 Ca 0.13 -0.07 0.24 0.00 -2.27 0.00 0.00 64.05 62.08 1x5f n THR 69 Cb 0.44 -1.85 0.43 0.00 -2.10 0.00 0.00 70.33 67.25 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 5.50 0.25 -4.18 3.42 7.64 -1.26 -4.17 113.62 120.81 1x5f n SER 70 Ca 0.20 1.19 -0.22 0.00 1.01 0.00 0.00 58.87 61.04 1x5f n SER 70 Cb 0.32 -0.58 -0.14 0.00 -1.01 0.00 0.00 64.21 62.80 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 -5.08 1.43 0.06 1.43 3.76 -1.26 -5.12 115.29 110.52 1x5f s HIS 71 Ca -0.06 -0.35 -0.31 0.00 -0.15 0.00 0.00 55.06 54.19 1x5f s HIS 71 Cb 0.24 -0.86 -0.07 0.00 1.11 0.00 0.00 32.58 33.01 1x5f s HIS 71 CO 0.57 0.05 1.40 -1.25 -0.85 0.00 0.00 174.74 174.66 1x5f s PRO 72 N -1.10 4.31 0.00 8.40 0.04 -1.26 -2.81 135.00 142.58 1x5f s PRO 72 Ca 0.04 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1x5f s PRO 72 Cb -0.08 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1x5f s PRO 72 CO 0.01 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 176.96 1x5f n GLY 73 N 3.57 3.20 3.72 0.56 0.00 -0.96 -4.82 105.19 110.45 1x5f n GLY 73 Ca 0.12 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.41 0.32 -0.50 1.61 2.13 -1.12 -4.79 120.64 116.88 1x5f n GLU 74 Ca 0.00 0.12 -0.01 0.00 0.66 0.00 0.00 57.16 57.93 1x5f n GLU 74 Cb 0.00 -1.67 0.17 0.00 0.27 0.00 0.00 31.44 30.22 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 4.13 2.60 -3.64 5.31 2.81 -1.26 -4.82 117.12 122.25 1x5f n MET 75 Ca 0.29 -1.56 -0.07 0.00 -1.81 0.00 0.00 57.70 54.55 1x5f n MET 75 Cb 0.00 -1.81 -0.07 0.00 -0.71 0.00 0.00 33.22 30.64 1x5f n MET 75 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1x5f s GLN 76 N -1.82 0.47 0.08 0.03 -2.07 -1.26 -1.83 119.66 113.26 1x5f s GLN 76 Ca 0.28 0.64 -0.04 0.00 -1.82 0.00 0.00 55.36 54.42 1x5f s GLN 76 Cb 0.22 0.19 -0.02 0.00 -1.09 0.00 0.00 33.01 32.30 1x5f s GLN 76 CO 0.07 -0.07 0.07 0.54 -1.32 0.00 0.00 175.29 174.59 1x5f s VAL 77 N 0.63 0.18 -0.10 3.63 0.11 -1.08 -4.99 120.40 118.77 1x5f s VAL 77 Ca -0.01 -1.56 0.00 0.00 -2.93 0.00 0.00 61.98 57.48 1x5f s VAL 77 Cb -0.05 -1.51 -0.02 0.00 -1.53 0.00 0.00 36.38 33.27 1x5f s VAL 77 CO -0.10 -0.80 -0.09 -0.89 -3.33 0.00 0.00 175.10 169.89 1x5f s THR 78 N -3.91 3.43 -0.56 5.04 2.01 -1.26 -1.06 115.64 119.32 1x5f s THR 78 Ca 0.08 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 1x5f s THR 78 Cb 0.07 -2.43 0.15 0.00 0.01 0.00 0.00 72.50 70.30 1x5f s THR 78 CO -0.09 0.55 0.36 -0.63 -0.69 0.00 0.00 174.62 174.12 1x5f s ILE 79 N -0.18 3.50 0.83 1.82 -1.09 -0.98 -4.97 121.20 120.13 1x5f s ILE 79 Ca 0.01 -2.75 -0.07 0.00 -2.23 0.00 0.00 60.65 55.61 1x5f s ILE 79 Cb -0.13 -3.32 0.16 0.00 -1.58 0.00 0.00 42.46 37.59 1x5f s ILE 79 CO 0.03 -0.82 1.14 -1.10 -1.23 0.00 0.00 174.94 172.96 1x5f s GLN 80 N 0.23 1.21 -0.50 2.79 -0.21 -1.26 -2.36 119.66 119.57 1x5f s GLN 80 Ca 0.15 -0.84 -0.02 0.00 0.02 0.00 0.00 55.36 54.66 1x5f s GLN 80 Cb -0.21 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.67 1x5f s GLN 80 CO -0.03 -1.88 0.43 0.09 -2.12 0.00 0.00 175.29 171.78 1x5f n ASN 81 N -3.24 -3.06 -4.57 5.90 4.13 -0.94 -4.93 115.26 108.56 1x5f n ASN 81 Ca 0.15 -0.22 -0.26 0.00 1.68 0.00 0.00 54.58 55.94 1x5f n ASN 81 Cb 0.60 -2.25 -0.10 0.00 -1.54 0.00 0.00 39.78 36.49 1x5f n ASN 81 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1x5f s LEU 82 N -3.51 2.79 -0.12 3.41 1.43 -0.51 -5.04 118.68 117.14 1x5f s LEU 82 Ca 0.14 -1.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.00 1x5f s LEU 82 Cb -0.06 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 1x5f s LEU 82 CO 0.28 -0.25 0.06 -0.32 0.23 0.00 0.00 176.35 176.35 1x5f s MET 83 N -3.64 3.35 0.61 1.70 -2.45 -1.26 -4.50 119.30 113.11 1x5f s MET 83 Ca 0.33 -0.31 -0.17 0.00 -1.25 0.00 0.00 55.69 54.30 1x5f s MET 83 Cb 0.03 -3.01 -0.03 0.00 1.25 0.00 0.00 34.83 33.07 1x5f s MET 83 CO 0.17 0.63 1.12 -1.25 1.05 0.00 0.00 175.02 176.74 1x5f s PRO 84 N -0.65 3.04 -1.61 4.11 0.04 -1.04 -3.41 135.00 135.48 1x5f s PRO 84 Ca 0.11 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.61 1x5f s PRO 84 Cb -0.12 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1x5f s PRO 84 CO 0.02 -1.08 0.33 0.00 0.04 0.00 0.00 177.00 176.32 1x5f n ALA 85 N -1.94 -0.83 -3.72 8.56 0.00 -1.18 -4.85 120.51 116.54 1x5f n ALA 85 Ca 0.11 0.22 -0.18 0.00 0.00 0.00 0.00 53.44 53.60 1x5f n ALA 85 Cb 0.52 -3.06 -0.17 0.00 0.00 0.00 0.00 19.45 16.74 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 -3.09 -0.04 0.78 0.00 2.01 -1.22 -4.91 115.64 109.18 1x5f s THR 86 Ca 0.17 0.29 -0.12 0.00 0.31 0.00 0.00 61.69 62.35 1x5f s THR 86 Cb -0.08 -0.14 0.07 0.00 0.01 0.00 0.00 72.50 72.36 1x5f s THR 86 CO 0.22 0.14 1.14 0.68 -0.69 0.00 0.00 174.62 176.10 1x5f s VAL 87 N 1.56 2.72 -0.19 3.82 -7.23 -1.26 -3.33 120.40 116.50 1x5f s VAL 87 Ca -0.03 0.28 -0.05 0.00 -1.81 0.00 0.00 61.98 60.37 1x5f s VAL 87 Cb -0.13 -2.65 0.09 0.00 0.56 0.00 0.00 36.38 34.26 1x5f s VAL 87 CO -0.03 -0.26 0.35 -0.31 -0.31 0.00 0.00 175.10 174.53 1x5f s TYR 88 N -2.53 -0.65 -0.68 2.82 2.02 0.52 -4.06 117.35 114.78 1x5f s TYR 88 Ca 0.67 1.10 -0.27 0.00 -0.37 0.00 0.00 57.07 58.20 1x5f s TYR 88 Cb -0.22 0.09 0.02 0.00 -0.40 0.00 0.00 41.96 41.44 1x5f s TYR 88 CO 0.52 -0.51 1.44 0.42 -1.57 0.00 0.00 175.55 175.85 1x5f s ILE 89 N 2.52 3.65 -0.01 2.71 -1.09 -0.58 -2.79 121.20 125.61 1x5f s ILE 89 Ca 0.03 0.41 -0.18 0.00 -2.23 0.00 0.00 60.65 58.68 1x5f s ILE 89 Cb -0.13 -4.61 -0.06 0.00 -1.58 0.00 0.00 42.46 36.08 1x5f s ILE 89 CO -0.12 -1.52 0.51 -0.36 -1.23 0.00 0.00 174.94 172.22 1x5f s PHE 90 N 6.56 3.69 -0.12 3.97 0.40 -0.16 -2.96 117.98 129.36 1x5f s PHE 90 Ca 0.45 1.09 -0.01 0.00 -0.60 0.00 0.00 56.93 57.87 1x5f s PHE 90 Cb -0.09 -2.48 0.03 0.00 0.51 0.00 0.00 43.02 40.99 1x5f s PHE 90 CO 0.18 0.45 -0.03 1.03 0.70 0.00 0.00 175.22 177.55 1x5f s ARG 91 N -0.48 1.11 0.19 0.44 0.52 0.11 -0.53 118.95 120.31 1x5f s ARG 91 Ca 0.27 -0.22 -0.04 0.00 -0.52 0.00 0.00 55.73 55.22 1x5f s ARG 91 Cb -0.17 -1.56 -0.05 0.00 0.52 0.00 0.00 34.95 33.68 1x5f s ARG 91 CO 0.15 -0.36 0.41 0.08 0.02 0.00 0.00 175.30 175.60 1x5f s VAL 92 N 1.79 5.14 -0.10 3.52 1.01 -1.26 -0.21 120.40 130.30 1x5f s VAL 92 Ca 0.03 -0.06 -0.26 0.00 0.00 0.00 0.00 61.98 61.70 1x5f s VAL 92 Cb -0.14 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.63 1x5f s VAL 92 CO -0.07 -0.08 0.60 -0.32 0.00 0.00 0.00 175.10 175.23 1x5f s MET 93 N -2.99 0.90 0.23 2.72 0.00 -0.12 0.40 119.30 120.45 1x5f s MET 93 Ca 0.41 0.36 -0.02 0.00 0.00 0.00 0.00 55.69 56.44 1x5f s MET 93 Cb -0.12 0.42 -0.04 0.00 0.00 0.00 0.00 34.83 35.10 1x5f s MET 93 CO 0.27 -0.24 0.44 0.00 0.00 0.00 0.00 175.02 175.49 1x5f s ALA 94 N -0.78 3.77 -0.10 4.11 0.00 -1.26 -0.08 121.76 127.42 1x5f s ALA 94 Ca -0.08 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 1x5f s ALA 94 Cb -0.02 -2.08 0.05 0.00 0.00 0.00 0.00 23.12 21.07 1x5f s ALA 94 CO 0.06 0.37 0.21 -0.65 0.00 0.00 0.00 175.76 175.75 1x5f s GLN 95 N -3.42 0.13 0.31 0.00 -0.21 0.21 -2.84 119.66 113.84 1x5f s GLN 95 Ca 0.40 0.57 0.01 0.00 0.02 0.00 0.00 55.36 56.36 1x5f s GLN 95 Cb -0.11 -0.14 -0.00 0.00 1.00 0.00 0.00 33.01 33.76 1x5f s GLN 95 CO 0.29 -0.23 0.03 0.27 -2.12 0.00 0.00 175.29 173.54 1x5f n ASN 96 N 4.76 2.26 -0.53 5.90 0.23 -1.11 0.10 115.26 126.88 1x5f n ASN 96 Ca -0.16 -2.43 0.41 0.00 -0.53 0.00 0.00 54.58 51.87 1x5f n ASN 96 Cb 0.51 0.39 0.64 0.00 -2.08 0.00 0.00 39.78 39.25 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 -0.74 -0.01 0.01 -3.83 2.85 -1.26 -0.77 118.16 114.41 1x5f n LYS 97 Ca -0.10 0.95 -0.01 0.00 -1.05 0.00 0.00 58.31 58.10 1x5f n LYS 97 Cb 0.41 -2.07 -0.00 0.00 -0.65 0.00 0.00 35.03 32.72 1x5f n LYS 97 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x5f h HIS 98 N 0.00 -0.03 0.00 5.58 3.86 -1.94 -3.51 115.15 119.11 1x5f h HIS 98 Ca 0.77 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.97 1x5f h HIS 98 Cb 2.88 0.01 0.00 0.00 1.06 0.00 0.00 27.41 31.36 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 1.04 -0.53 3.65 2.45 0.00 0.05 -5.10 105.19 106.75 1x5f n GLY 99 Ca -0.00 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 6.93 0.00 1.61 0.01 -1.26 -2.74 113.70 114.24 1x5f s SER 100 Ca 0.00 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.57 1x5f s SER 100 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1x5f s SER 100 CO 0.00 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.42 1x5f n GLY 101 N 3.76 0.83 3.74 3.44 0.00 -1.13 -4.96 105.19 110.86 1x5f n GLY 101 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1x5f n GLY 101 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x5f s GLU 102 N 1.21 4.19 -0.15 1.61 2.12 -1.22 -4.98 118.70 121.49 1x5f s GLU 102 Ca 0.00 -0.00 -0.25 0.00 0.36 0.00 0.00 54.97 55.07 1x5f s GLU 102 Cb 0.00 -3.41 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 1x5f s GLU 102 CO 0.00 0.29 0.82 -1.12 -0.54 0.00 0.00 175.26 174.72 1x5f s SER 103 N 0.33 6.99 1.24 -1.70 0.01 -1.26 -2.65 113.70 116.65 1x5f s SER 103 Ca 0.14 1.21 -0.17 0.00 1.31 0.00 0.00 55.95 58.43 1x5f s SER 103 Cb -0.12 -2.46 0.27 0.00 0.21 0.00 0.00 66.02 63.92 1x5f s SER 103 CO 0.02 -0.35 0.67 -0.24 0.41 0.00 0.00 173.24 173.74 1x5f n SER 104 N 4.96 -2.71 -4.78 2.44 2.88 0.16 -4.90 113.62 111.68 1x5f n SER 104 Ca 0.04 -0.38 -0.36 0.00 -1.33 0.00 0.00 58.87 56.83 1x5f n SER 104 Cb 0.49 -1.06 -0.03 0.00 -0.75 0.00 0.00 64.21 62.86 1x5f n SER 104 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x5f s ALA 105 N -2.25 3.00 0.03 -1.46 0.00 -1.26 -4.61 121.76 115.21 1x5f s ALA 105 Ca 0.62 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 53.05 1x5f s ALA 105 Cb -0.17 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 1x5f s ALA 105 CO 0.60 -0.41 1.43 -1.25 0.00 0.00 0.00 175.76 176.13 1x5f s PRO 106 N -2.72 4.28 -0.14 0.00 0.04 -1.26 -4.62 135.00 130.58 1x5f s PRO 106 Ca 0.62 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.62 1x5f s PRO 106 Cb -0.24 -3.52 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 1x5f s PRO 106 CO 0.29 -0.57 0.09 -1.17 0.04 0.00 0.00 177.00 175.68 1x5f s LEU 107 N 2.18 4.03 -0.49 -3.56 2.96 0.31 -4.90 118.68 119.21 1x5f s LEU 107 Ca 0.65 0.26 -0.17 0.00 -0.22 0.00 0.00 54.13 54.65 1x5f s LEU 107 Cb -0.33 -1.99 0.08 0.00 0.50 0.00 0.00 46.19 44.44 1x5f s LEU 107 CO 0.28 0.30 0.48 -0.60 -1.32 0.00 0.00 176.35 175.49 1x5f s ARG 108 N -0.39 3.02 -0.13 1.98 3.52 -1.26 -0.99 118.95 124.70 1x5f s ARG 108 Ca 0.10 -1.28 0.01 0.00 -0.13 0.00 0.00 55.73 54.42 1x5f s ARG 108 Cb -0.12 -4.15 -0.01 0.00 -1.56 0.00 0.00 34.95 29.11 1x5f s ARG 108 CO 0.02 -1.13 -0.15 0.08 -0.81 0.00 0.00 175.30 173.30 1x5f s VAL 109 N 1.92 2.85 -0.20 7.11 1.01 -1.12 -4.93 120.40 127.04 1x5f s VAL 109 Ca 0.07 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 1x5f s VAL 109 Cb -0.24 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 1x5f s VAL 109 CO 0.07 0.53 -0.01 -0.70 0.00 0.00 0.00 175.10 175.00 1x5f s GLU 110 N 0.41 3.61 0.99 2.72 2.12 -1.26 -0.36 118.70 126.94 1x5f s GLU 110 Ca -0.11 -0.52 -0.17 0.00 0.36 0.00 0.00 54.97 54.53 1x5f s GLU 110 Cb -0.16 -3.06 0.25 0.00 0.26 0.00 0.00 34.13 31.42 1x5f s GLU 110 CO 0.05 0.03 0.85 0.25 -0.54 0.00 0.00 175.26 175.91 1x5f n THR 111 N 4.18 0.00 -4.22 -1.70 -2.24 -1.21 -4.93 114.28 104.16 1x5f n THR 111 Ca -0.17 -0.36 -0.33 0.00 -2.27 0.00 0.00 64.05 60.92 1x5f n THR 111 Cb 0.52 -1.16 -0.08 0.00 -2.10 0.00 0.00 70.33 67.51 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 -4.95 2.95 -0.61 -0.78 -1.52 -1.26 -3.81 119.66 109.69 1x5f s GLN 112 Ca 0.56 -0.50 -0.26 0.00 -1.95 0.00 0.00 55.36 53.20 1x5f s GLN 112 Cb -0.06 -2.79 -0.02 0.00 -0.22 0.00 0.00 33.01 29.93 1x5f s GLN 112 CO 0.43 0.66 1.86 -1.25 -0.25 0.00 0.00 175.29 176.74 1x5f s PRO 113 N -1.45 2.62 0.21 2.91 0.04 -1.26 -3.10 135.00 134.97 1x5f s PRO 113 Ca 0.19 0.61 -0.06 0.00 0.04 0.00 0.00 61.00 61.78 1x5f s PRO 113 Cb -0.12 -4.39 -0.06 0.00 0.04 0.00 0.00 34.50 29.97 1x5f s PRO 113 CO 0.09 -2.74 0.48 -1.83 0.04 0.00 0.00 177.00 173.04 1x5f s GLU 114 N 7.05 3.68 -1.06 4.56 4.04 -1.26 -4.31 118.70 131.40 1x5f s GLU 114 Ca 0.67 0.05 -0.05 0.00 0.04 0.00 0.00 54.97 55.68 1x5f s GLU 114 Cb -0.13 -2.73 0.01 0.00 0.02 0.00 0.00 34.13 31.30 1x5f s GLU 114 CO 0.21 0.35 0.92 0.45 -1.84 0.00 0.00 175.26 175.35 1x5f n SER 115 N -0.26 -4.70 -4.76 0.83 2.88 -1.26 -5.02 113.62 101.34 1x5f n SER 115 Ca -0.01 -0.45 -0.23 0.00 -1.33 0.00 0.00 58.87 56.85 1x5f n SER 115 Cb 0.53 -4.18 -0.06 0.00 -0.75 0.00 0.00 64.21 59.75 1x5f n SER 115 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5f s GLY 116 N -3.46 1.54 0.00 0.46 0.00 -1.26 -4.99 107.32 99.60 1x5f s GLY 116 Ca 0.36 -1.45 0.13 0.00 0.00 0.00 0.00 44.72 43.75 1x5f s GLY 116 CO 0.59 -1.49 1.18 -1.55 0.00 0.00 0.00 173.10 171.82 1x5f n PRO 117 N -0.90 0.49 -1.04 2.90 -0.04 -1.26 -4.85 135.00 130.30 1x5f n PRO 117 Ca -0.08 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.95 1x5f n PRO 117 Cb 0.58 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.53 1x5f n PRO 117 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5f n SER 118 N -0.90 0.50 -4.38 3.54 7.64 -1.26 -4.88 113.62 113.88 1x5f n SER 118 Ca 0.09 0.44 -0.19 0.00 1.01 0.00 0.00 58.87 60.22 1x5f n SER 118 Cb 0.04 -0.71 -0.10 0.00 -1.01 0.00 0.00 64.21 62.42 1x5f n SER 118 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5f s SER 119 N 5.33 2.12 0.00 6.43 0.01 -1.26 -5.19 113.70 121.13 1x5f s SER 119 Ca 0.98 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1x5f s SER 119 Cb -1.14 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 65.05 1x5f s SER 119 CO 0.49 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 174.23