#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 7.12 0.19 1.61 0.15 -1.26 -5.03 113.70 116.49 1x5f s SER 2 Ca 0.00 1.38 -0.10 0.00 0.70 0.00 0.00 55.95 57.93 1x5f s SER 2 Cb 0.00 -2.50 -0.01 0.00 -1.71 0.00 0.00 66.02 61.80 1x5f s SER 2 CO 0.00 -0.36 0.33 -0.94 1.20 0.00 0.00 173.24 173.47 1x5f s SER 3 N 1.06 -0.00 -0.21 5.45 1.04 -1.26 -5.18 113.70 114.61 1x5f s SER 3 Ca 0.44 -0.90 -0.17 0.00 0.48 0.00 0.00 55.95 55.80 1x5f s SER 3 Cb -0.18 0.48 0.06 0.00 0.10 0.00 0.00 66.02 66.48 1x5f s SER 3 CO 0.17 -0.96 0.55 -0.83 0.98 0.00 0.00 173.24 173.15 1x5f s GLY 4 N -2.99 -0.44 -0.26 7.32 0.00 -1.26 -5.16 107.32 104.53 1x5f s GLY 4 Ca 0.20 1.70 -0.26 0.00 0.00 0.00 0.00 44.72 46.35 1x5f s GLY 4 CO 0.03 1.58 1.09 -1.35 0.00 0.00 0.00 173.10 174.45 1x5f s SER 5 N 0.71 -0.37 -0.18 1.64 1.04 -1.26 -5.14 113.70 110.14 1x5f s SER 5 Ca -0.03 0.66 -0.21 0.00 0.48 0.00 0.00 55.95 56.84 1x5f s SER 5 Cb -0.05 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 1x5f s SER 5 CO -0.05 -0.17 0.64 -0.94 0.98 0.00 0.00 173.24 173.71 1x5f s SER 6 N -0.08 6.74 0.78 7.02 1.04 -1.26 -5.06 113.70 122.87 1x5f s SER 6 Ca 0.03 0.89 -0.08 0.00 0.48 0.00 0.00 55.95 57.27 1x5f s SER 6 Cb -0.04 -2.36 0.10 0.00 0.10 0.00 0.00 66.02 63.82 1x5f s SER 6 CO -0.06 -0.25 1.10 -0.83 0.98 0.00 0.00 173.24 174.18 1x5f s GLY 7 N 1.12 1.71 0.28 7.32 0.00 -1.26 -5.10 107.32 111.40 1x5f s GLY 7 Ca 0.30 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 44.02 1x5f s GLY 7 CO 0.11 -0.55 0.26 -1.83 0.00 0.00 0.00 173.10 171.08 1x5f s GLU 8 N -5.41 2.91 -0.68 2.90 -1.05 -1.26 -5.07 118.70 111.03 1x5f s GLU 8 Ca 0.64 -1.11 -0.20 0.00 -0.15 0.00 0.00 54.97 54.15 1x5f s GLU 8 Cb -0.08 -2.57 0.10 0.00 -0.44 0.00 0.00 34.13 31.14 1x5f s GLU 8 CO 0.47 0.28 0.87 -3.38 0.95 0.00 0.00 175.26 174.45 1x5f s HIS 9 N -2.18 2.93 -0.68 4.83 -3.43 -1.26 -4.97 115.29 110.53 1x5f s HIS 9 Ca 0.36 -0.93 0.02 0.00 -0.80 0.00 0.00 55.06 53.71 1x5f s HIS 9 Cb -0.07 -4.15 0.17 0.00 -1.43 0.00 0.00 32.58 27.09 1x5f s HIS 9 CO 0.26 -1.44 0.48 0.00 -2.00 0.00 0.00 174.74 172.04 1x5f s ALA 10 N 3.07 3.73 1.23 -1.38 0.00 -1.26 -5.09 121.76 122.06 1x5f s ALA 10 Ca 0.19 -3.60 -0.19 0.00 0.00 0.00 0.00 51.96 48.36 1x5f s ALA 10 Cb -0.18 -2.38 0.28 0.00 0.00 0.00 0.00 23.12 20.84 1x5f s ALA 10 CO 0.04 -2.09 1.00 -0.35 0.00 0.00 0.00 175.76 174.36 1x5f n PRO 11 N 2.59 -2.99 -3.51 0.00 -0.04 -1.26 -5.10 135.00 124.69 1x5f n PRO 11 Ca 0.14 -1.60 -0.11 0.00 -0.04 0.00 0.00 63.50 61.89 1x5f n PRO 11 Cb 0.35 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 1x5f n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5f s ALA 12 N -3.01 -1.80 -0.45 0.55 0.00 -1.26 -5.13 121.76 110.67 1x5f s ALA 12 Ca 0.65 1.10 -0.07 0.00 0.00 0.00 0.00 51.96 53.63 1x5f s ALA 12 Cb -0.06 0.19 0.11 0.00 0.00 0.00 0.00 23.12 23.35 1x5f s ALA 12 CO 0.50 -0.57 0.29 0.99 0.00 0.00 0.00 175.76 176.97 1x5f s THR 13 N -2.48 3.93 -0.07 0.00 2.01 -1.26 -5.07 115.64 112.69 1x5f s THR 13 Ca 0.00 -1.82 -0.15 0.00 0.31 0.00 0.00 61.69 60.03 1x5f s THR 13 Cb -0.01 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 1x5f s THR 13 CO -0.04 -0.71 0.40 0.42 -0.69 0.00 0.00 174.62 173.99 1x5f s THR 14 N 1.30 5.15 0.00 -0.82 -4.23 -1.26 -4.97 115.64 110.81 1x5f s THR 14 Ca 0.06 0.80 0.00 0.00 -1.18 0.00 0.00 61.69 61.37 1x5f s THR 14 Cb -0.25 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 69.87 1x5f s THR 14 CO -0.01 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 1x5f n GLY 15 N 2.61 3.81 3.77 3.99 0.00 -1.26 -5.16 105.19 112.96 1x5f n GLY 15 Ca -0.12 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 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 1.36 2.84 0.18 1.61 0.04 -1.26 -5.06 135.00 134.71 1x5f s PRO 16 Ca 0.00 1.41 0.07 0.00 0.04 0.00 0.00 61.00 62.52 1x5f s PRO 16 Cb 0.00 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1x5f s PRO 16 CO 0.00 -1.22 0.04 -0.51 0.04 0.00 0.00 177.00 175.35 1x5f s LEU 17 N -4.79 3.45 0.00 -3.56 1.43 -1.26 -5.00 118.68 108.96 1x5f s LEU 17 Ca 0.67 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1x5f s LEU 17 Cb -0.21 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1x5f s LEU 17 CO 0.40 0.07 0.00 -0.81 0.23 0.00 0.00 176.35 176.24 1x5f n PRO 18 N -0.31 0.11 -4.39 1.29 -0.04 -1.26 -4.92 135.00 125.48 1x5f n PRO 18 Ca -0.09 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.16 1x5f n PRO 18 Cb 0.56 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.86 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 1.25 0.79 3.54 0.01 -1.26 -3.63 113.70 112.88 1x5f s SER 19 Ca 0.00 -0.19 -0.17 0.00 1.31 0.00 0.00 55.95 56.90 1x5f s SER 19 Cb 0.00 -0.40 -0.12 0.00 0.21 0.00 0.00 66.02 65.70 1x5f s SER 19 CO 0.00 0.05 -0.33 0.00 0.41 0.00 0.00 173.24 173.37 1x5f n ALA 20 N 3.45 -4.00 -1.13 1.44 0.00 -0.92 -4.60 120.51 114.75 1x5f n ALA 20 Ca -0.20 -0.41 -0.29 0.00 0.00 0.00 0.00 53.44 52.55 1x5f n ALA 20 Cb 0.53 -1.36 0.20 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.86 -0.16 0.44 0.00 0.04 -1.26 -4.53 135.00 127.67 1x5f s PRO 21 Ca 0.50 0.32 0.01 0.00 0.04 0.00 0.00 61.00 61.87 1x5f s PRO 21 Cb -0.31 -1.69 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 1x5f s PRO 21 CO 0.73 -3.09 0.02 0.54 0.04 0.00 0.00 177.00 175.25 1x5f n ARG 22 N -4.39 0.85 -4.09 4.56 5.12 -1.20 -4.78 116.66 112.73 1x5f n ARG 22 Ca 0.07 -3.26 -0.34 0.00 -1.93 0.00 0.00 57.85 52.40 1x5f n ARG 22 Cb 0.58 1.03 -0.00 0.00 -1.16 0.00 0.00 32.46 32.91 1x5f n ARG 22 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1x5f n ASP 23 N -1.33 -3.96 -4.60 0.55 8.00 -1.26 -0.67 116.55 113.27 1x5f n ASP 23 Ca -0.16 -0.91 -0.43 0.00 0.71 0.00 0.00 54.79 54.00 1x5f n ASP 23 Cb 0.57 -3.26 -0.02 0.00 -0.02 0.00 0.00 41.12 38.39 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 -3.30 3.66 0.13 2.53 1.01 -1.26 -4.10 120.40 119.08 1x5f s VAL 24 Ca 0.71 0.68 -0.07 0.00 0.00 0.00 0.00 61.98 63.30 1x5f s VAL 24 Cb -0.37 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1x5f s VAL 24 CO 0.89 -0.53 0.19 0.68 0.00 0.00 0.00 175.10 176.33 1x5f s VAL 25 N 6.14 0.10 -0.48 2.92 -7.23 0.05 -5.01 120.40 116.88 1x5f s VAL 25 Ca 0.72 -1.47 -0.16 0.00 -1.81 0.00 0.00 61.98 59.26 1x5f s VAL 25 Cb -0.19 -1.74 0.08 0.00 0.56 0.00 0.00 36.38 35.09 1x5f s VAL 25 CO 0.33 -0.47 0.43 0.00 -0.31 0.00 0.00 175.10 175.08 1x5f s ALA 26 N -3.95 3.56 0.54 1.32 0.00 -1.26 0.56 121.76 122.53 1x5f s ALA 26 Ca 0.15 -2.13 0.26 0.00 0.00 0.00 0.00 51.96 50.24 1x5f s ALA 26 Cb 0.05 -3.12 1.44 0.00 0.00 0.00 0.00 23.12 21.48 1x5f s ALA 26 CO -0.03 -1.79 1.99 1.03 0.00 0.00 0.00 175.76 176.96 1x5f h SER 27 N 8.79 0.00 -4.81 0.00 0.87 -0.71 -3.43 113.55 114.27 1x5f h SER 27 Ca -0.29 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.26 1x5f h SER 27 Cb 1.11 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.88 1x5f h SER 27 CO 0.91 0.00 0.28 -0.22 -0.53 0.00 0.00 176.83 177.27 1x5f s LEU 28 N -8.48 -0.57 -0.33 2.23 0.20 -1.01 -4.97 118.68 105.75 1x5f s LEU 28 Ca -0.05 0.52 0.03 0.00 0.69 0.00 0.00 54.13 55.32 1x5f s LEU 28 Cb 0.19 2.38 0.10 0.00 -0.43 0.00 0.00 46.19 48.43 1x5f s LEU 28 CO 0.70 -0.61 0.06 -0.69 -0.29 0.00 0.00 176.35 175.52 1x5f s VAL 29 N -1.64 1.95 0.46 1.68 1.01 -1.26 0.99 120.40 123.59 1x5f s VAL 29 Ca -0.07 -2.12 -0.08 0.00 0.00 0.00 0.00 61.98 59.72 1x5f s VAL 29 Cb -0.00 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1x5f s VAL 29 CO 0.04 -0.61 0.79 -0.55 0.00 0.00 0.00 175.10 174.77 1x5f s SER 30 N 1.07 6.37 0.46 3.32 0.15 0.30 -4.62 113.70 120.75 1x5f s SER 30 Ca 0.10 1.04 0.26 0.00 0.70 0.00 0.00 55.95 58.05 1x5f s SER 30 Cb -0.19 -2.29 1.03 0.00 -1.71 0.00 0.00 66.02 62.86 1x5f s SER 30 CO -0.12 -0.52 1.87 0.71 1.20 0.00 0.00 173.24 176.38 1x5f h THR 31 N 0.54 0.48 -0.00 6.45 1.35 -1.96 -3.07 112.91 116.70 1x5f h THR 31 Ca -0.47 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 1x5f h THR 31 Cb 1.20 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1x5f h THR 31 CO 0.63 0.18 -0.05 0.54 -0.25 0.00 0.00 175.52 176.57 1x5f n ARG 32 N -3.37 1.29 -3.74 4.72 1.74 -1.26 -1.81 116.66 114.23 1x5f n ARG 32 Ca 0.00 -0.54 -0.08 0.00 -0.77 0.00 0.00 57.85 56.47 1x5f n ARG 32 Cb 0.40 -0.96 0.03 0.00 -1.02 0.00 0.00 32.46 30.90 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 -0.14 -2.16 -3.69 -1.55 1.16 -1.16 -1.16 117.46 108.76 1x5f n PHE 33 Ca 0.02 -1.72 -0.11 0.00 -1.87 0.00 0.00 57.45 53.77 1x5f n PHE 33 Cb 0.09 0.86 -0.11 0.00 -1.61 0.00 0.00 39.48 38.70 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 -2.11 -0.24 -0.18 1.97 1.01 -1.13 0.11 121.20 120.64 1x5f s ILE 34 Ca 0.17 0.15 -0.26 0.00 0.00 0.00 0.00 60.65 60.71 1x5f s ILE 34 Cb -0.04 -0.55 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 1x5f s ILE 34 CO 0.10 0.06 0.86 -0.75 0.00 0.00 0.00 174.94 175.22 1x5f s LYS 35 N 1.82 4.29 0.14 2.79 2.47 0.28 -2.32 119.74 129.21 1x5f s LYS 35 Ca -0.06 1.06 0.04 0.00 -1.56 0.00 0.00 55.97 55.46 1x5f s LYS 35 Cb -0.10 -3.59 -0.04 0.00 -1.46 0.00 0.00 37.83 32.64 1x5f s LYS 35 CO -0.11 -0.37 0.13 -0.51 0.16 0.00 0.00 175.35 174.64 1x5f s LEU 36 N 2.30 3.83 -0.23 5.43 2.01 0.09 -0.04 118.68 132.08 1x5f s LEU 36 Ca 0.39 -0.09 -0.12 0.00 0.01 0.00 0.00 54.13 54.32 1x5f s LEU 36 Cb -0.16 -2.45 0.07 0.00 0.01 0.00 0.00 46.19 43.66 1x5f s LEU 36 CO 0.12 0.09 0.55 0.42 1.01 0.00 0.00 176.35 178.54 1x5f s THR 37 N -1.67 -0.10 0.21 5.49 -4.23 0.19 -2.35 115.64 113.18 1x5f s THR 37 Ca 0.31 0.05 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 1x5f s THR 37 Cb -0.11 -0.81 -0.03 0.00 1.34 0.00 0.00 72.50 72.90 1x5f s THR 37 CO 0.23 0.02 0.23 -1.66 -0.54 0.00 0.00 174.62 172.91 1x5f s TRP 38 N 1.66 0.91 0.56 3.99 -2.14 -0.71 -0.77 118.94 122.44 1x5f s TRP 38 Ca -0.09 -1.18 0.08 0.00 2.66 0.00 0.00 56.10 57.57 1x5f s TRP 38 Cb -0.07 -0.33 0.06 0.00 -3.10 0.00 0.00 33.47 30.03 1x5f s TRP 38 CO -0.16 -0.74 0.61 1.03 -2.66 0.00 0.00 176.95 175.03 1x5f s ARG 39 N -4.11 2.29 0.39 3.25 0.52 0.15 -4.67 118.95 116.77 1x5f s ARG 39 Ca 0.34 -1.81 -0.25 0.00 -0.52 0.00 0.00 55.73 53.48 1x5f s ARG 39 Cb 0.05 -2.40 -0.09 0.00 0.52 0.00 0.00 34.95 33.03 1x5f s ARG 39 CO 0.11 -0.75 1.18 0.95 0.02 0.00 0.00 175.30 176.81 1x5f s THR 40 N -2.71 3.13 0.77 0.02 -4.23 -1.26 -3.26 115.64 108.09 1x5f s THR 40 Ca 0.49 0.96 -0.11 0.00 -1.18 0.00 0.00 61.69 61.86 1x5f s THR 40 Cb -0.04 -3.54 0.05 0.00 1.34 0.00 0.00 72.50 70.31 1x5f s THR 40 CO 0.31 0.10 1.09 -2.16 -0.54 0.00 0.00 174.62 173.42 1x5f s PRO 41 N -2.25 2.29 0.30 3.99 0.04 -1.05 -4.30 135.00 134.01 1x5f s PRO 41 Ca 0.56 1.19 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 1x5f s PRO 41 Cb -0.31 -1.90 0.44 0.00 0.04 0.00 0.00 34.50 32.77 1x5f s PRO 41 CO 0.39 -1.62 1.92 0.00 0.04 0.00 0.00 177.00 177.74 1x5f h ALA 42 N -1.05 1.35 -0.20 8.56 0.00 -1.81 -2.25 119.26 123.85 1x5f h ALA 42 Ca -0.44 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 1x5f h ALA 42 Cb 1.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1x5f h ALA 42 CO 0.51 0.54 -0.39 1.03 0.00 0.00 0.00 179.25 180.94 1x5f h SER 43 N 1.00 0.48 -3.24 0.00 0.87 -1.92 -3.39 113.55 107.36 1x5f h SER 43 Ca 0.25 -0.20 -0.59 0.00 -1.23 0.00 0.00 61.79 60.02 1x5f h SER 43 Cb 0.02 -0.13 -0.40 0.00 -0.44 0.00 0.00 62.40 61.44 1x5f h SER 43 CO -0.04 0.82 -0.75 -1.81 -0.53 0.00 0.00 176.83 174.52 1x5f s ASP 44 N -6.85 4.07 0.18 6.23 1.11 -0.86 -4.97 116.67 115.58 1x5f s ASP 44 Ca -0.06 -1.79 0.21 0.00 0.18 0.00 0.00 52.55 51.08 1x5f s ASP 44 Cb 0.13 -0.96 0.87 0.00 1.07 0.00 0.00 42.92 44.03 1x5f s ASP 44 CO 0.80 -0.40 1.63 -0.81 1.18 0.00 0.00 175.17 177.58 1x5f n PRO 45 N 4.66 0.13 -0.03 8.23 -0.04 -1.16 -2.54 135.00 144.26 1x5f n PRO 45 Ca -0.00 0.38 -0.01 0.00 -0.04 0.00 0.00 63.50 63.82 1x5f n PRO 45 Cb 0.41 -1.76 -0.07 0.00 -0.04 0.00 0.00 33.50 32.05 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 -2.02 0.00 -2.82 0.54 8.25 -1.26 -4.77 115.22 113.14 1x5f n HIS 46 Ca 0.02 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.32 1x5f n HIS 46 Cb 0.21 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 30.96 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 2.30 -0.30 0.02 -1.41 0.00 -1.15 -4.68 105.19 99.98 1x5f n GLY 47 Ca -0.09 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.25 0.65 -0.99 1.61 -0.08 -1.26 -3.90 116.55 111.33 1x5f n ASP 48 Ca 0.05 -0.35 0.08 0.00 -1.51 0.00 0.00 54.79 53.05 1x5f n ASP 48 Cb 0.32 0.73 0.24 0.00 2.34 0.00 0.00 41.12 44.75 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 -1.79 3.68 -3.79 1.67 0.23 -1.26 -4.60 115.26 109.40 1x5f n ASN 49 Ca 0.03 -2.35 -0.13 0.00 -0.53 0.00 0.00 54.58 51.60 1x5f n ASN 49 Cb 0.40 -0.41 -0.13 0.00 -2.08 0.00 0.00 39.78 37.56 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 -1.64 1.15 0.91 -4.53 0.05 -1.25 -4.40 118.68 108.97 1x5f s LEU 50 Ca 0.36 0.30 -0.15 0.00 0.05 0.00 0.00 54.13 54.70 1x5f s LEU 50 Cb 0.23 0.46 0.16 0.00 -2.05 0.00 0.00 46.19 45.00 1x5f s LEU 50 CO 0.18 -0.09 1.27 -0.89 -0.55 0.00 0.00 176.35 176.27 1x5f s THR 51 N 0.51 2.00 -0.04 5.48 2.01 0.31 -3.41 115.64 122.51 1x5f s THR 51 Ca -0.04 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 61.98 1x5f s THR 51 Cb -0.05 -2.99 0.01 0.00 0.01 0.00 0.00 72.50 69.47 1x5f s THR 51 CO -0.02 0.00 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.50 1x5f s TYR 52 N -3.78 1.05 0.00 4.92 2.02 -1.26 0.11 117.35 120.41 1x5f s TYR 52 Ca 0.70 -0.30 0.03 0.00 -0.37 0.00 0.00 57.07 57.13 1x5f s TYR 52 Cb -0.06 -0.78 -0.03 0.00 -0.40 0.00 0.00 41.96 40.69 1x5f s TYR 52 CO 0.52 -0.15 -0.05 -1.12 -1.57 0.00 0.00 175.55 173.17 1x5f s SER 53 N 0.41 4.78 -0.21 2.29 0.01 0.80 -2.51 113.70 119.27 1x5f s SER 53 Ca -0.07 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.10 1x5f s SER 53 Cb -0.11 -1.16 0.05 0.00 0.21 0.00 0.00 66.02 65.01 1x5f s SER 53 CO 0.01 0.28 -0.11 -0.69 0.41 0.00 0.00 173.24 173.14 1x5f s VAL 54 N -1.03 1.80 -0.32 3.43 1.01 -1.10 -0.75 120.40 123.44 1x5f s VAL 54 Ca 0.18 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 1x5f s VAL 54 Cb -0.11 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1x5f s VAL 54 CO 0.08 0.14 0.21 -0.36 0.00 0.00 0.00 175.10 175.17 1x5f s PHE 55 N 1.32 3.21 -0.02 5.22 0.40 0.67 -1.38 117.98 127.41 1x5f s PHE 55 Ca -0.03 -0.25 0.07 0.00 -0.60 0.00 0.00 56.93 56.12 1x5f s PHE 55 Cb -0.17 -2.43 -0.02 0.00 0.51 0.00 0.00 43.02 40.91 1x5f s PHE 55 CO -0.08 -0.35 -0.22 1.52 0.70 0.00 0.00 175.22 176.79 1x5f s TYR 56 N 1.70 2.46 -0.24 0.36 1.13 -0.85 -0.22 117.35 121.69 1x5f s TYR 56 Ca 0.06 -0.33 -0.25 0.00 -1.41 0.00 0.00 57.07 55.14 1x5f s TYR 56 Cb -0.17 -1.52 0.07 0.00 -1.10 0.00 0.00 41.96 39.23 1x5f s TYR 56 CO 0.09 0.08 0.70 -0.08 -2.51 0.00 0.00 175.55 173.83 1x5f s THR 57 N -0.70 0.00 0.24 -3.49 -1.32 -1.16 -1.79 115.64 107.42 1x5f s THR 57 Ca 0.11 -0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.28 1x5f s THR 57 Cb -0.10 -0.97 -0.11 0.00 -1.51 0.00 0.00 72.50 69.80 1x5f s THR 57 CO 0.00 -0.00 1.62 -0.75 -2.21 0.00 0.00 174.62 173.29 1x5f s LYS 58 N 0.22 4.15 -0.47 7.08 2.20 -1.26 -1.50 119.74 130.15 1x5f s LYS 58 Ca -0.01 2.53 -0.43 0.00 -0.36 0.00 0.00 55.97 57.70 1x5f s LYS 58 Cb -0.04 -3.07 -0.18 0.00 -1.51 0.00 0.00 37.83 33.03 1x5f s LYS 58 CO 0.02 -0.65 2.08 -1.91 -0.36 0.00 0.00 175.35 174.53 1x5f n GLU 59 N 3.09 0.21 0.00 4.03 0.00 -1.25 -0.18 120.64 126.54 1x5f n GLU 59 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.34 1x5f n GLU 59 Cb 0.37 -1.67 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 6.91 3.24 3.61 8.31 0.00 -1.26 -5.06 105.19 120.94 1x5f n GLY 60 Ca 0.50 -0.89 -0.49 0.00 0.00 0.00 0.00 46.02 45.13 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 0.40 0.27 -0.61 2.08 0.75 -4.85 119.36 117.40 1x5f n ILE 61 Ca 0.00 -0.10 0.05 0.00 0.56 0.00 0.00 62.75 63.26 1x5f n ILE 61 Cb 0.00 -1.06 0.20 0.00 -0.75 0.00 0.00 39.64 38.03 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 2.31 2.95 -3.96 -1.39 0.00 -1.26 -4.72 120.51 114.43 1x5f n ALA 62 Ca 0.16 -0.89 -0.30 0.00 0.00 0.00 0.00 53.44 52.41 1x5f n ALA 62 Cb 0.24 -1.03 -0.16 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.77 1.82 0.24 0.00 0.52 -1.26 -5.13 118.95 113.37 1x5f s ARG 63 Ca 0.28 -0.75 0.11 0.00 -0.52 0.00 0.00 55.73 54.85 1x5f s ARG 63 Cb 0.19 -2.30 -0.05 0.00 0.52 0.00 0.00 34.95 33.31 1x5f s ARG 63 CO 0.12 -0.44 -0.20 -1.83 0.02 0.00 0.00 175.30 172.97 1x5f s GLU 64 N 1.47 1.67 -0.06 3.54 1.03 -1.26 -4.65 118.70 120.44 1x5f s GLU 64 Ca -0.01 -1.61 0.04 0.00 0.03 0.00 0.00 54.97 53.42 1x5f s GLU 64 Cb -0.16 -1.85 -0.02 0.00 -0.80 0.00 0.00 34.13 31.30 1x5f s GLU 64 CO -0.08 0.37 -0.18 1.03 -1.33 0.00 0.00 175.26 175.07 1x5f s ARG 65 N -3.12 2.63 -0.12 -4.83 1.81 -0.74 -4.91 118.95 109.68 1x5f s ARG 65 Ca 0.26 -0.77 -0.10 0.00 -1.72 0.00 0.00 55.73 53.40 1x5f s ARG 65 Cb -0.07 -2.34 -0.05 0.00 -0.45 0.00 0.00 34.95 32.05 1x5f s ARG 65 CO 0.13 0.48 0.20 0.54 -0.68 0.00 0.00 175.30 175.97 1x5f s VAL 66 N -0.38 5.40 -0.25 3.52 0.11 -1.26 -2.01 120.40 125.53 1x5f s VAL 66 Ca 0.04 0.34 0.01 0.00 -2.93 0.00 0.00 61.98 59.44 1x5f s VAL 66 Cb -0.12 -3.49 0.07 0.00 -1.53 0.00 0.00 36.38 31.31 1x5f s VAL 66 CO 0.02 0.55 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.60 1x5f s GLU 67 N -0.60 1.64 -0.04 1.54 2.56 -0.48 -4.91 118.70 118.42 1x5f s GLU 67 Ca 0.15 -1.11 -0.30 0.00 0.00 0.00 0.00 54.97 53.71 1x5f s GLU 67 Cb -0.13 -2.65 -0.03 0.00 2.00 0.00 0.00 34.13 33.32 1x5f s GLU 67 CO 0.04 -0.64 1.19 -0.80 -0.56 0.00 0.00 175.26 174.49 1x5f s ASN 68 N 1.33 7.07 -0.08 -1.70 -0.87 -1.26 -2.71 114.94 116.71 1x5f s ASN 68 Ca -0.04 1.83 -0.38 0.00 -1.57 0.00 0.00 52.86 52.69 1x5f s ASN 68 Cb -0.19 -2.56 -0.16 0.00 -0.02 0.00 0.00 41.25 38.32 1x5f s ASN 68 CO -0.07 -0.55 1.55 0.35 -2.57 0.00 0.00 177.10 175.80 1x5f n THR 69 N 4.50 0.16 -0.49 1.60 -2.24 -1.04 -4.73 114.28 112.03 1x5f n THR 69 Ca 0.10 -0.03 0.41 0.00 -2.27 0.00 0.00 64.05 62.27 1x5f n THR 69 Cb 0.46 -1.05 0.63 0.00 -2.10 0.00 0.00 70.33 68.27 1x5f n THR 69 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1x5f n SER 70 N 3.98 0.00 -3.86 3.42 2.88 -1.26 -4.21 113.62 114.57 1x5f n SER 70 Ca 0.22 0.85 -0.12 0.00 -1.33 0.00 0.00 58.87 58.50 1x5f n SER 70 Cb 0.17 -0.38 -0.12 0.00 -0.75 0.00 0.00 64.21 63.13 1x5f n SER 70 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1x5f s HIS 71 N -4.57 -0.04 0.24 0.66 3.76 -1.26 -5.14 115.29 108.93 1x5f s HIS 71 Ca -0.04 0.10 -0.30 0.00 -0.15 0.00 0.00 55.06 54.67 1x5f s HIS 71 Cb 0.21 -0.01 -0.09 0.00 1.11 0.00 0.00 32.58 33.80 1x5f s HIS 71 CO 0.69 -0.11 1.28 -1.25 -0.85 0.00 0.00 174.74 174.49 1x5f s PRO 72 N -0.40 4.42 0.00 8.40 0.04 -1.26 -3.01 135.00 143.18 1x5f s PRO 72 Ca -0.05 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1x5f s PRO 72 Cb -0.03 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1x5f s PRO 72 CO 0.00 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1x5f n GLY 73 N 1.88 3.27 3.61 0.56 0.00 -1.22 -4.96 105.19 108.32 1x5f n GLY 73 Ca 0.04 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.30 1.23 -0.76 1.61 4.07 -1.16 -4.84 120.64 119.49 1x5f n GLU 74 Ca 0.00 0.44 -0.07 0.00 -0.06 0.00 0.00 57.16 57.47 1x5f n GLU 74 Cb 0.00 -2.10 0.20 0.00 -0.06 0.00 0.00 31.44 29.48 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 2.92 2.72 -3.57 5.31 2.81 -1.26 -4.86 117.12 121.19 1x5f n MET 75 Ca 0.19 -2.16 -0.08 0.00 -1.81 0.00 0.00 57.70 53.84 1x5f n MET 75 Cb 0.19 -1.92 -0.04 0.00 -0.71 0.00 0.00 33.22 30.74 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 -2.28 0.53 0.01 0.03 1.03 -1.26 -1.74 119.66 115.98 1x5f s GLN 76 Ca 0.39 -0.03 -0.27 0.00 0.04 0.00 0.00 55.36 55.50 1x5f s GLN 76 Cb 0.32 0.25 0.06 0.00 0.03 0.00 0.00 33.01 33.67 1x5f s GLN 76 CO 0.09 -0.20 0.61 0.54 -2.54 0.00 0.00 175.29 173.80 1x5f s VAL 77 N -1.84 0.01 -0.13 3.63 0.11 -0.99 -4.95 120.40 116.24 1x5f s VAL 77 Ca 0.03 -0.07 -0.02 0.00 -2.93 0.00 0.00 61.98 58.98 1x5f s VAL 77 Cb -0.01 -0.98 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1x5f s VAL 77 CO -0.03 -0.04 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.75 1x5f s THR 78 N -1.93 3.76 -0.60 5.04 2.01 -1.26 -0.73 115.64 121.93 1x5f s THR 78 Ca -0.08 -0.42 -0.07 0.00 0.31 0.00 0.00 61.69 61.43 1x5f s THR 78 Cb -0.01 -2.62 0.16 0.00 0.01 0.00 0.00 72.50 70.04 1x5f s THR 78 CO 0.03 0.52 0.46 -0.63 -0.69 0.00 0.00 174.62 174.31 1x5f s ILE 79 N 0.10 4.27 0.27 1.82 -1.09 -0.98 -4.96 121.20 120.63 1x5f s ILE 79 Ca -0.02 -2.39 -0.04 0.00 -2.23 0.00 0.00 60.65 55.98 1x5f s ILE 79 Cb -0.14 -3.76 0.06 0.00 -1.58 0.00 0.00 42.46 37.04 1x5f s ILE 79 CO 0.03 -0.86 0.37 0.00 -1.23 0.00 0.00 174.94 173.25 1x5f n GLN 80 N 4.16 -0.26 -3.50 2.79 3.00 -1.26 -2.82 117.38 119.49 1x5f n GLN 80 Ca 0.03 -0.62 -0.20 0.00 -0.01 0.00 0.00 57.00 56.20 1x5f n GLN 80 Cb 0.41 -0.37 0.08 0.00 0.00 0.00 0.00 30.24 30.37 1x5f n GLN 80 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1x5f n ASN 81 N -3.21 -4.11 -4.68 1.08 4.13 -1.11 -4.90 115.26 102.46 1x5f n ASN 81 Ca 0.05 -0.58 -0.25 0.00 1.68 0.00 0.00 54.58 55.48 1x5f n ASN 81 Cb 0.17 -5.04 -0.08 0.00 -1.54 0.00 0.00 39.78 33.28 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 -6.77 3.04 -0.11 3.41 1.43 -0.31 -5.04 118.68 114.34 1x5f s LEU 82 Ca 0.28 -1.06 -0.03 0.00 -1.03 0.00 0.00 54.13 52.29 1x5f s LEU 82 Cb -0.12 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 1x5f s LEU 82 CO 0.72 -0.38 0.00 -0.32 0.23 0.00 0.00 176.35 176.60 1x5f s MET 83 N -3.79 3.22 0.64 1.70 -2.45 -1.26 -4.51 119.30 112.85 1x5f s MET 83 Ca 0.37 -0.42 -0.16 0.00 -1.25 0.00 0.00 55.69 54.24 1x5f s MET 83 Cb 0.03 -2.86 -0.01 0.00 1.25 0.00 0.00 34.83 33.23 1x5f s MET 83 CO 0.21 0.57 1.11 -1.25 1.05 0.00 0.00 175.02 176.71 1x5f s PRO 84 N -0.52 2.87 -1.39 4.11 0.04 -0.75 -3.43 135.00 135.92 1x5f s PRO 84 Ca 0.09 1.42 -0.09 0.00 0.04 0.00 0.00 61.00 62.46 1x5f s PRO 84 Cb -0.12 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.52 1x5f s PRO 84 CO 0.02 -1.20 0.59 0.00 0.04 0.00 0.00 177.00 176.45 1x5f n ALA 85 N -2.28 -1.08 -3.79 8.56 0.00 -1.18 -4.85 120.51 115.89 1x5f n ALA 85 Ca 0.10 0.15 -0.25 0.00 0.00 0.00 0.00 53.44 53.45 1x5f n ALA 85 Cb 0.52 -3.31 -0.17 0.00 0.00 0.00 0.00 19.45 16.48 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 -3.05 0.52 0.51 0.00 2.01 -1.22 -4.90 115.64 109.52 1x5f s THR 86 Ca 0.42 -0.09 -0.23 0.00 0.31 0.00 0.00 61.69 62.10 1x5f s THR 86 Cb -0.21 -0.73 -0.06 0.00 0.01 0.00 0.00 72.50 71.51 1x5f s THR 86 CO 0.52 0.18 1.36 -0.69 -0.69 0.00 0.00 174.62 175.30 1x5f s VAL 87 N 1.90 2.16 -0.09 3.82 1.01 -1.26 -3.46 120.40 124.48 1x5f s VAL 87 Ca 0.04 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1x5f s VAL 87 Cb -0.13 -3.07 0.04 0.00 0.00 0.00 0.00 36.38 33.23 1x5f s VAL 87 CO -0.06 0.00 0.20 -0.31 0.00 0.00 0.00 175.10 174.93 1x5f s TYR 88 N -1.29 -0.26 -0.57 5.22 2.02 0.13 -3.79 117.35 118.81 1x5f s TYR 88 Ca 0.68 0.67 -0.20 0.00 -0.37 0.00 0.00 57.07 57.84 1x5f s TYR 88 Cb -0.40 -0.03 0.08 0.00 -0.40 0.00 0.00 41.96 41.20 1x5f s TYR 88 CO 0.49 -0.22 0.75 0.42 -1.57 0.00 0.00 175.55 175.42 1x5f s ILE 89 N 1.39 4.71 0.12 2.71 -1.09 -0.57 -1.31 121.20 127.16 1x5f s ILE 89 Ca -0.08 -0.59 -0.19 0.00 -2.23 0.00 0.00 60.65 57.57 1x5f s ILE 89 Cb -0.11 -4.46 -0.07 0.00 -1.58 0.00 0.00 42.46 36.23 1x5f s ILE 89 CO -0.07 -1.07 0.61 -0.36 -1.23 0.00 0.00 174.94 172.81 1x5f s PHE 90 N 3.03 3.74 -0.09 3.97 0.40 0.54 -2.97 117.98 126.61 1x5f s PHE 90 Ca 0.16 1.27 -0.02 0.00 -0.60 0.00 0.00 56.93 57.75 1x5f s PHE 90 Cb -0.20 -2.51 0.03 0.00 0.51 0.00 0.00 43.02 40.85 1x5f s PHE 90 CO 0.10 0.50 0.01 1.03 0.70 0.00 0.00 175.22 177.56 1x5f s ARG 91 N -1.46 0.62 -0.07 0.44 0.52 0.70 -0.34 118.95 119.36 1x5f s ARG 91 Ca 0.34 0.04 -0.12 0.00 -0.52 0.00 0.00 55.73 55.48 1x5f s ARG 91 Cb -0.18 -1.12 -0.05 0.00 0.52 0.00 0.00 34.95 34.12 1x5f s ARG 91 CO 0.20 -0.34 0.29 0.08 0.02 0.00 0.00 175.30 175.55 1x5f s VAL 92 N 1.96 5.25 -0.00 3.52 1.01 -1.26 -0.23 120.40 130.64 1x5f s VAL 92 Ca 0.04 0.56 -0.04 0.00 0.00 0.00 0.00 61.98 62.54 1x5f s VAL 92 Cb -0.13 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 1x5f s VAL 92 CO -0.06 0.57 0.08 -0.32 0.00 0.00 0.00 175.10 175.37 1x5f s MET 93 N -0.87 0.33 0.18 2.72 0.00 0.07 0.38 119.30 122.12 1x5f s MET 93 Ca 0.19 -0.32 -0.07 0.00 0.00 0.00 0.00 55.69 55.50 1x5f s MET 93 Cb -0.14 0.13 -0.06 0.00 0.00 0.00 0.00 34.83 34.76 1x5f s MET 93 CO 0.09 -0.07 0.45 0.00 0.00 0.00 0.00 175.02 175.49 1x5f s ALA 94 N -1.02 3.70 -0.06 4.11 0.00 -1.26 -0.14 121.76 127.09 1x5f s ALA 94 Ca -0.11 -0.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 1x5f s ALA 94 Cb -0.06 -2.25 0.04 0.00 0.00 0.00 0.00 23.12 20.84 1x5f s ALA 94 CO 0.00 0.59 0.12 -0.65 0.00 0.00 0.00 175.76 175.82 1x5f s GLN 95 N -2.76 0.03 0.24 0.00 -0.21 0.12 -2.84 119.66 114.23 1x5f s GLN 95 Ca 0.44 0.38 0.00 0.00 0.02 0.00 0.00 55.36 56.20 1x5f s GLN 95 Cb -0.12 -0.25 -0.00 0.00 1.00 0.00 0.00 33.01 33.64 1x5f s GLN 95 CO 0.24 -0.22 0.01 0.27 -2.12 0.00 0.00 175.29 173.47 1x5f n ASN 96 N 4.59 2.42 0.16 5.90 0.23 -1.08 0.12 115.26 127.59 1x5f n ASN 96 Ca -0.19 -2.09 0.13 0.00 -0.53 0.00 0.00 54.58 51.90 1x5f n ASN 96 Cb 0.51 0.23 0.37 0.00 -2.08 0.00 0.00 39.78 38.81 1x5f n ASN 96 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1x5f h LYS 97 N 0.00 0.00 0.00 -3.83 2.10 -2.02 -1.71 116.57 111.12 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 0.00 0.72 -2.00 0.00 0.00 179.45 178.50 1x5f n HIS 98 N -2.92 0.00 0.00 0.07 8.25 -1.26 -5.10 115.22 114.26 1x5f n HIS 98 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1x5f n HIS 98 Cb 0.97 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.61 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 1.60 -0.44 3.43 -1.41 0.00 -0.64 -5.11 105.19 102.62 1x5f n GLY 99 Ca 0.00 0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 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 5.44 0.00 1.61 0.01 -1.26 -2.65 113.70 112.85 1x5f s SER 100 Ca 0.00 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1x5f s SER 100 Cb 0.00 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.25 1x5f s SER 100 CO 0.00 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1x5f n GLY 101 N 4.96 0.81 3.85 3.44 0.00 -1.13 -4.98 105.19 112.14 1x5f n GLY 101 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 0.54 3.82 -0.16 1.61 2.12 -1.24 -4.97 118.70 120.43 1x5f s GLU 102 Ca 0.00 0.29 -0.20 0.00 0.36 0.00 0.00 54.97 55.42 1x5f s GLU 102 Cb 0.00 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 1x5f s GLU 102 CO 0.00 0.68 0.60 -1.12 -0.54 0.00 0.00 175.26 174.88 1x5f s SER 103 N -1.20 6.73 1.20 -1.70 0.01 -1.26 -2.17 113.70 115.30 1x5f s SER 103 Ca 0.24 0.88 -0.17 0.00 1.31 0.00 0.00 55.95 58.21 1x5f s SER 103 Cb -0.16 -2.34 0.23 0.00 0.21 0.00 0.00 66.02 63.96 1x5f s SER 103 CO 0.13 -0.17 0.50 -1.54 0.41 0.00 0.00 173.24 172.57 1x5f n SER 104 N 4.49 -2.70 -4.77 2.44 3.41 0.16 -4.88 113.62 111.77 1x5f n SER 104 Ca -0.03 -0.34 -0.36 0.00 -0.26 0.00 0.00 58.87 57.87 1x5f n SER 104 Cb 0.50 -1.01 0.01 0.00 -0.26 0.00 0.00 64.21 63.45 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 -2.22 2.80 -0.18 7.33 0.00 -1.26 -4.63 121.76 123.59 1x5f s ALA 105 Ca 0.58 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 53.22 1x5f s ALA 105 Cb -0.15 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1x5f s ALA 105 CO 0.59 -0.87 1.58 -1.25 0.00 0.00 0.00 175.76 175.81 1x5f s PRO 106 N -3.01 3.93 -0.18 0.00 0.04 -1.26 -4.61 135.00 129.91 1x5f s PRO 106 Ca 0.70 1.77 -0.14 0.00 0.04 0.00 0.00 61.00 63.37 1x5f s PRO 106 Cb -0.29 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.22 1x5f s PRO 106 CO 0.34 -1.12 0.32 -1.17 0.04 0.00 0.00 177.00 175.41 1x5f s LEU 107 N 4.73 4.20 -0.39 -3.56 2.96 0.54 -4.91 118.68 122.25 1x5f s LEU 107 Ca 0.70 0.49 -0.18 0.00 -0.22 0.00 0.00 54.13 54.91 1x5f s LEU 107 Cb -0.26 -2.41 0.01 0.00 0.50 0.00 0.00 46.19 44.03 1x5f s LEU 107 CO 0.27 0.03 0.52 -0.60 -1.32 0.00 0.00 176.35 175.26 1x5f s ARG 108 N 0.81 3.40 -0.13 1.98 3.00 -1.26 -0.34 118.95 126.41 1x5f s ARG 108 Ca 0.17 -0.37 0.00 0.00 -1.00 0.00 0.00 55.73 54.53 1x5f s ARG 108 Cb -0.14 -3.89 0.02 0.00 0.00 0.00 0.00 34.95 30.95 1x5f s ARG 108 CO 0.06 -0.79 -0.13 0.08 0.00 0.00 0.00 175.30 174.51 1x5f s VAL 109 N 2.43 1.47 -0.22 7.11 1.01 -0.43 -4.96 120.40 126.81 1x5f s VAL 109 Ca 0.18 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1x5f s VAL 109 Cb -0.15 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1x5f s VAL 109 CO 0.15 0.44 0.08 -0.70 0.00 0.00 0.00 175.10 175.07 1x5f s GLU 110 N 1.42 3.83 1.30 2.72 2.12 -1.26 -0.69 118.70 128.14 1x5f s GLU 110 Ca 0.03 -0.40 -0.21 0.00 0.36 0.00 0.00 54.97 54.74 1x5f s GLU 110 Cb -0.13 -3.31 0.33 0.00 0.26 0.00 0.00 34.13 31.27 1x5f s GLU 110 CO -0.08 0.02 1.05 0.95 -0.54 0.00 0.00 175.26 176.66 1x5f s THR 111 N 1.06 1.40 -0.02 -1.70 -4.23 -1.22 -4.92 115.64 106.01 1x5f s THR 111 Ca 0.05 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.57 1x5f s THR 111 Cb -0.14 -2.34 -0.03 0.00 1.34 0.00 0.00 72.50 71.32 1x5f s THR 111 CO 0.03 0.00 -0.02 -1.10 -0.54 0.00 0.00 174.62 173.00 1x5f s GLN 112 N -5.35 2.76 -0.46 3.99 -1.52 -1.26 -3.69 119.66 114.14 1x5f s GLN 112 Ca 0.71 -0.60 -0.28 0.00 -1.95 0.00 0.00 55.36 53.24 1x5f s GLN 112 Cb -0.10 -2.65 -0.02 0.00 -0.22 0.00 0.00 33.01 30.03 1x5f s GLN 112 CO 0.56 0.63 1.77 -1.25 -0.25 0.00 0.00 175.29 176.75 1x5f s PRO 113 N -1.39 3.08 0.00 2.91 0.04 -1.26 -3.11 135.00 135.27 1x5f s PRO 113 Ca 0.18 1.01 0.23 0.00 0.04 0.00 0.00 61.00 62.46 1x5f s PRO 113 Cb -0.11 -4.25 0.98 0.00 0.04 0.00 0.00 34.50 31.16 1x5f s PRO 113 CO 0.08 -2.18 1.68 -0.85 0.04 0.00 0.00 177.00 175.77 1x5f n GLU 114 N 8.69 1.53 -5.01 4.56 0.28 -1.26 -4.83 120.64 124.60 1x5f n GLU 114 Ca 0.21 -0.79 -0.31 0.00 -0.16 0.00 0.00 57.16 56.11 1x5f n GLU 114 Cb 0.49 -1.41 -0.15 0.00 1.43 0.00 0.00 31.44 31.81 1x5f n GLU 114 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1x5f s SER 115 N -1.71 3.29 -0.19 -1.84 0.01 -1.26 -5.13 113.70 106.87 1x5f s SER 115 Ca 0.34 -0.49 -0.28 0.00 1.31 0.00 0.00 55.95 56.83 1x5f s SER 115 Cb 0.18 -0.40 0.12 0.00 0.21 0.00 0.00 66.02 66.13 1x5f s SER 115 CO 0.28 0.29 0.97 -0.83 0.41 0.00 0.00 173.24 174.36 1x5f s GLY 116 N -1.00 -0.27 0.33 3.44 0.00 -1.26 -5.04 107.32 103.52 1x5f s GLY 116 Ca 0.11 2.16 0.12 0.00 0.00 0.00 0.00 44.72 47.12 1x5f s GLY 116 CO 0.01 1.29 1.73 -0.56 0.00 0.00 0.00 173.10 175.57 1x5f h PRO 117 N 3.17 0.00 -5.21 2.90 0.13 -2.03 -3.45 132.00 127.51 1x5f h PRO 117 Ca -0.22 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.35 1x5f h PRO 117 Cb 1.16 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 1x5f h PRO 117 CO 0.25 0.48 -0.56 -1.12 -0.23 0.00 0.00 178.00 176.82 1x5f s SER 118 N -6.87 2.96 -0.45 1.44 0.01 -1.26 -5.12 113.70 104.41 1x5f s SER 118 Ca -0.02 -1.52 -0.16 0.00 1.31 0.00 0.00 55.95 55.56 1x5f s SER 118 Cb 0.13 0.17 0.05 0.00 0.21 0.00 0.00 66.02 66.59 1x5f s SER 118 CO 0.74 -0.74 0.39 -0.55 0.41 0.00 0.00 173.24 173.49 1x5f s SER 119 N -3.61 6.15 0.00 2.44 0.15 -1.26 -5.14 113.70 112.42 1x5f s SER 119 Ca 0.27 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1x5f s SER 119 Cb 0.06 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1x5f s SER 119 CO 0.13 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.58