#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x52 n SER 2 N 0.00 0.00 -2.55 1.61 2.88 -1.26 -5.16 113.62 109.14 1x52 n SER 2 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1x52 n SER 2 Cb 0.00 0.39 -0.04 0.00 -0.75 0.00 0.00 64.21 63.81 1x52 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x52 n SER 3 N -2.35 -0.73 0.00 -3.46 2.88 -1.26 -5.18 113.62 103.52 1x52 n SER 3 Ca 0.00 -2.50 0.00 0.00 -1.33 0.00 0.00 58.87 55.04 1x52 n SER 3 Cb 0.00 1.51 0.00 0.00 -0.75 0.00 0.00 64.21 64.97 1x52 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x52 n GLY 4 N -0.44 1.11 3.52 0.46 0.00 -1.26 -5.15 105.19 103.42 1x52 n GLY 4 Ca 0.03 -1.90 -0.25 0.00 0.00 0.00 0.00 46.02 43.90 1x52 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x52 s SER 5 N 0.00 2.78 -0.01 1.61 0.15 -1.26 -5.16 113.70 111.81 1x52 s SER 5 Ca 0.00 -1.59 -0.07 0.00 0.70 0.00 0.00 55.95 54.99 1x52 s SER 5 Cb 0.00 0.35 0.02 0.00 -1.71 0.00 0.00 66.02 64.69 1x52 s SER 5 CO 0.00 -0.84 0.32 -0.24 1.20 0.00 0.00 173.24 173.68 1x52 n SER 6 N -1.13 -0.28 0.00 5.45 2.88 -1.26 -5.20 113.62 114.07 1x52 n SER 6 Ca -0.06 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.43 1x52 n SER 6 Cb 0.66 0.43 0.00 0.00 -0.75 0.00 0.00 64.21 64.55 1x52 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x52 n GLY 7 N -0.23 2.24 3.18 0.46 0.00 -1.26 -5.12 105.19 104.46 1x52 n GLY 7 Ca 0.01 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 1x52 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x52 s THR 8 N -2.33 0.14 -0.41 2.61 2.01 -1.26 -5.13 115.64 111.27 1x52 s THR 8 Ca 0.00 -1.63 0.01 0.00 0.31 0.00 0.00 61.69 60.38 1x52 s THR 8 Cb 0.00 -1.70 0.13 0.00 0.01 0.00 0.00 72.50 70.94 1x52 s THR 8 CO 0.00 -0.63 0.22 -0.69 -0.69 0.00 0.00 174.62 172.82 1x52 s VAL 9 N -3.96 1.10 0.21 3.82 1.01 -1.26 -5.11 120.40 116.22 1x52 s VAL 9 Ca 0.14 -2.25 0.02 0.00 0.00 0.00 0.00 61.98 59.89 1x52 s VAL 9 Cb 0.06 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1x52 s VAL 9 CO -0.05 -0.89 0.02 0.00 0.00 0.00 0.00 175.10 174.19 1x52 s ALA 10 N 0.64 1.61 0.07 5.51 0.00 -1.26 -5.18 121.76 123.15 1x52 s ALA 10 Ca 0.17 -1.72 -0.04 0.00 0.00 0.00 0.00 51.96 50.37 1x52 s ALA 10 Cb -0.23 0.64 0.01 0.00 0.00 0.00 0.00 23.12 23.54 1x52 s ALA 10 CO -0.02 -0.33 0.19 0.45 0.00 0.00 0.00 175.76 176.06 1x52 n SER 11 N -0.36 -0.46 -3.88 0.00 2.88 -1.26 -5.19 113.62 105.34 1x52 n SER 11 Ca -0.04 -1.30 -0.08 0.00 -1.33 0.00 0.00 58.87 56.11 1x52 n SER 11 Cb 0.64 0.77 -0.03 0.00 -0.75 0.00 0.00 64.21 64.84 1x52 n SER 11 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1x52 s ARG 12 N -2.02 1.63 -0.14 -1.46 3.52 -1.26 -5.18 118.95 114.04 1x52 s ARG 12 Ca 0.04 -1.05 -0.10 0.00 -0.13 0.00 0.00 55.73 54.49 1x52 s ARG 12 Cb -0.01 0.55 0.05 0.00 -1.56 0.00 0.00 34.95 33.97 1x52 s ARG 12 CO 0.02 -0.72 0.36 -1.17 -0.81 0.00 0.00 175.30 172.99 1x52 s LEU 13 N -2.94 0.32 -0.22 -0.88 2.96 -1.26 -4.97 118.68 111.69 1x52 s LEU 13 Ca 0.15 0.75 -0.13 0.00 -0.22 0.00 0.00 54.13 54.68 1x52 s LEU 13 Cb -0.03 1.19 0.07 0.00 0.50 0.00 0.00 46.19 47.92 1x52 s LEU 13 CO 0.06 -0.16 0.55 -0.44 -1.32 0.00 0.00 176.35 175.04 1x52 s SER 14 N 0.83 -0.71 0.45 3.68 0.01 -1.26 -5.07 113.70 111.63 1x52 s SER 14 Ca -0.05 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.39 1x52 s SER 14 Cb -0.06 1.08 0.00 0.00 0.21 0.00 0.00 66.02 67.25 1x52 s SER 14 CO -0.06 -0.21 0.00 -0.67 0.41 0.00 0.00 173.24 172.71 1x52 n ASP 15 N 4.12 -7.70 -0.10 2.44 2.03 -1.26 -0.74 116.55 115.34 1x52 n ASP 15 Ca -0.21 1.19 -0.18 0.00 0.52 0.00 0.00 54.79 56.11 1x52 n ASP 15 Cb 0.57 -3.36 -0.08 0.00 -0.72 0.00 0.00 41.12 37.53 1x52 n ASP 15 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1x52 n THR 16 N -3.64 1.50 0.03 5.18 -1.04 -1.26 -4.09 114.28 110.96 1x52 n THR 16 Ca 0.01 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.87 1x52 n THR 16 Cb 0.50 -2.12 -0.09 0.00 -1.82 0.00 0.00 70.33 66.80 1x52 n THR 16 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1x52 h LYS 17 N -1.00 -0.09 -0.74 -2.82 1.57 -2.01 -2.99 116.57 108.49 1x52 h LYS 17 Ca -0.30 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.55 1x52 h LYS 17 Cb 1.15 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.42 1x52 h LYS 17 CO -0.18 0.33 0.42 0.00 -0.57 0.00 0.00 179.45 179.45 1x52 h ALA 18 N 0.32 1.01 -0.54 3.86 0.00 -1.84 -2.22 119.26 119.84 1x52 h ALA 18 Ca -0.01 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1x52 h ALA 18 Cb 0.47 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1x52 h ALA 18 CO 0.02 0.11 0.07 0.00 0.00 0.00 0.00 179.25 179.45 1x52 h ALA 19 N 1.38 0.59 -0.05 0.00 0.00 -0.90 0.25 119.26 120.53 1x52 h ALA 19 Ca 0.33 0.13 -0.19 0.00 0.00 0.00 0.00 54.91 55.18 1x52 h ALA 19 Cb 0.21 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1x52 h ALA 19 CO -0.19 -0.34 -0.78 0.78 0.00 0.00 0.00 179.25 178.72 1x52 h GLY 20 N 0.20 0.39 0.70 0.00 0.00 -1.26 0.93 103.07 104.03 1x52 h GLY 20 Ca 0.28 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1x52 h GLY 20 CO -0.39 0.52 -0.02 0.83 0.00 0.00 0.00 176.54 177.49 1x52 h GLU 21 N 0.23 -0.05 0.16 4.80 3.07 -1.05 -2.21 114.58 119.53 1x52 h GLU 21 Ca -0.04 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.83 1x52 h GLU 21 Cb 1.37 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.27 1x52 h GLU 21 CO 0.13 0.26 -0.20 0.28 -1.40 0.00 0.00 179.01 178.07 1x52 h VAL 22 N -0.35 0.55 -0.66 3.13 2.07 -0.50 -1.60 116.25 118.89 1x52 h VAL 22 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1x52 h VAL 22 Cb 0.32 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1x52 h VAL 22 CO 0.01 0.00 0.43 0.50 0.02 0.00 0.00 177.57 178.53 1x52 h LYS 23 N -0.41 0.81 -0.44 1.57 3.11 -0.85 0.17 116.57 120.52 1x52 h LYS 23 Ca 0.01 -0.05 -0.03 0.00 -2.81 0.00 0.00 60.65 57.77 1x52 h LYS 23 Cb 0.41 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.44 1x52 h LYS 23 CO -0.08 0.54 0.17 0.00 -2.81 0.00 0.00 179.45 177.27 1x52 h ALA 24 N 1.60 0.58 -0.56 5.00 0.00 -1.02 -0.76 119.26 124.10 1x52 h ALA 24 Ca 0.25 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1x52 h ALA 24 Cb -0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1x52 h ALA 24 CO -0.06 0.20 0.33 1.25 0.00 0.00 0.00 179.25 180.97 1x52 h LEU 25 N 0.57 0.53 -0.23 0.00 5.85 -0.19 -0.97 115.31 120.88 1x52 h LEU 25 Ca 0.15 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1x52 h LEU 25 Cb 0.21 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1x52 h LEU 25 CO -0.01 0.37 0.14 -0.78 -0.34 0.00 0.00 178.44 177.83 1x52 h ASP 26 N 0.66 0.27 0.17 1.25 3.58 -0.46 0.40 116.42 122.29 1x52 h ASP 26 Ca 0.23 -0.04 -0.19 0.00 0.42 0.00 0.00 57.03 57.45 1x52 h ASP 26 Cb 0.04 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 1x52 h ASP 26 CO -0.11 0.23 -0.73 -0.78 -2.88 0.00 0.00 179.24 174.98 1x52 h ASP 27 N 0.29 0.58 0.95 2.28 1.82 -1.08 -2.75 116.42 118.50 1x52 h ASP 27 Ca 0.08 -0.37 -0.05 0.00 -0.39 0.00 0.00 57.03 56.30 1x52 h ASP 27 Cb 0.00 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 39.85 1x52 h ASP 27 CO -0.02 1.12 -0.45 0.15 -1.61 0.00 0.00 179.24 178.43 1x52 h PHE 28 N 0.33 -1.18 -0.89 0.28 3.57 -0.93 -3.16 116.94 114.96 1x52 h PHE 28 Ca -0.03 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.56 1x52 h PHE 28 Cb 1.31 0.39 -0.07 0.00 2.79 0.00 0.00 35.95 40.37 1x52 h PHE 28 CO 0.05 -0.73 0.58 1.88 -2.23 0.00 0.00 178.31 177.85 1x52 h TYR 29 N -1.30 0.90 -0.24 0.41 0.05 -0.93 -0.52 116.97 115.33 1x52 h TYR 29 Ca -0.13 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.74 1x52 h TYR 29 Cb 0.98 -0.29 -0.07 0.00 1.01 0.00 0.00 36.73 38.36 1x52 h TYR 29 CO -0.00 0.37 -0.24 -0.22 -1.05 0.00 0.00 178.16 177.02 1x52 h LYS 30 N 0.79 -0.24 -0.26 4.88 3.64 -1.49 -0.87 116.57 123.03 1x52 h LYS 30 Ca 0.43 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.76 1x52 h LYS 30 Cb 0.57 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1x52 h LYS 30 CO -0.20 -0.16 -0.15 0.52 -2.27 0.00 0.00 179.45 177.19 1x52 h MET 31 N -0.25 0.45 -0.65 1.90 2.86 -1.24 -0.60 114.93 117.41 1x52 h MET 31 Ca 0.14 -0.13 0.12 0.00 -2.06 0.00 0.00 59.70 57.76 1x52 h MET 31 Cb 0.45 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 1x52 h MET 31 CO -0.38 0.60 0.44 1.25 1.06 0.00 0.00 176.91 179.87 1x52 h LEU 32 N 0.41 0.36 0.12 1.22 5.85 0.23 0.25 115.31 123.75 1x52 h LEU 32 Ca 0.07 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1x52 h LEU 32 Cb 0.51 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1x52 h LEU 32 CO 0.03 0.20 -0.06 1.56 -0.34 0.00 0.00 178.44 179.84 1x52 h GLN 33 N 0.39 -0.16 -0.01 1.25 1.08 -1.06 -3.38 115.11 113.22 1x52 h GLN 33 Ca 0.31 0.01 -0.21 0.00 -1.45 0.00 0.00 58.65 57.31 1x52 h GLN 33 Cb 0.67 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1x52 h GLN 33 CO -0.09 -0.11 -0.88 0.45 -0.95 0.00 0.00 178.83 177.25 1x52 h HIS 34 N -0.80 0.48 -1.15 2.96 3.86 -0.30 -3.40 115.15 116.80 1x52 h HIS 34 Ca -0.02 -0.26 -0.18 0.00 -1.16 0.00 0.00 60.37 58.75 1x52 h HIS 34 Cb 0.13 -0.06 -0.19 0.00 1.06 0.00 0.00 27.41 28.35 1x52 h HIS 34 CO 0.01 1.06 -0.53 -1.83 0.86 0.00 0.00 177.93 177.50 1x52 s GLU 35 N -3.30 1.02 0.26 2.45 -1.05 0.81 -5.04 118.70 113.85 1x52 s GLU 35 Ca -0.05 -1.06 0.19 0.00 -0.15 0.00 0.00 54.97 53.91 1x52 s GLU 35 Cb 0.10 -0.17 0.97 0.00 -0.44 0.00 0.00 34.13 34.58 1x52 s GLU 35 CO 0.85 -1.31 1.59 -0.35 0.95 0.00 0.00 175.26 176.99 1x52 n PRO 36 N 3.14 0.13 0.17 -4.83 -0.04 -0.89 -0.92 135.00 131.77 1x52 n PRO 36 Ca 0.18 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.31 1x52 n PRO 36 Cb 0.55 -1.87 0.63 0.00 -0.04 0.00 0.00 33.50 32.77 1x52 n PRO 36 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1x52 h ASP 37 N 0.00 0.00 -0.42 3.54 5.19 -1.82 0.16 116.42 123.06 1x52 h ASP 37 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1x52 h ASP 37 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1x52 h ASP 37 CO 0.00 0.00 0.00 0.54 -3.12 0.00 0.00 179.24 176.66 1x52 n ARG 38 N -2.34 2.64 -3.45 3.56 1.74 -0.10 -2.94 116.66 115.77 1x52 n ARG 38 Ca -0.01 -2.15 -0.28 0.00 -0.77 0.00 0.00 57.85 54.64 1x52 n ARG 38 Cb 0.07 -1.35 -0.11 0.00 -1.02 0.00 0.00 32.46 30.04 1x52 n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x52 s ALA 39 N -1.03 1.15 0.09 7.54 0.00 0.04 -1.14 121.76 128.42 1x52 s ALA 39 Ca 0.30 -2.10 -0.11 0.00 0.00 0.00 0.00 51.96 50.05 1x52 s ALA 39 Cb 0.16 -1.62 -0.06 0.00 0.00 0.00 0.00 23.12 21.60 1x52 s ALA 39 CO 0.21 -2.06 0.44 -0.06 0.00 0.00 0.00 175.76 174.28 1x52 s PHE 40 N 0.70 3.59 0.13 0.00 0.40 -1.05 -4.82 117.98 116.93 1x52 s PHE 40 Ca 0.23 0.86 -0.02 0.00 -0.60 0.00 0.00 56.93 57.40 1x52 s PHE 40 Cb -0.14 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1x52 s PHE 40 CO -0.06 0.50 0.07 1.52 0.70 0.00 0.00 175.22 177.95 1x52 s TYR 41 N -1.40 0.80 0.09 0.36 1.13 -1.26 -1.83 117.35 115.23 1x52 s TYR 41 Ca 0.34 -1.19 0.00 0.00 -1.41 0.00 0.00 57.07 54.81 1x52 s TYR 41 Cb -0.14 -0.44 0.00 0.00 -1.10 0.00 0.00 41.96 40.27 1x52 s TYR 41 CO 0.18 -0.52 0.00 0.41 -2.51 0.00 0.00 175.55 173.11 1x52 n GLY 42 N -0.09 -3.48 0.32 5.49 0.00 -0.00 -4.30 105.19 103.13 1x52 n GLY 42 Ca -0.06 -0.97 0.10 0.00 0.00 0.00 0.00 46.02 45.08 1x52 n GLY 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x52 h LEU 43 N 0.45 -0.45 -0.74 0.99 5.85 -1.92 -0.78 115.31 118.70 1x52 h LEU 43 Ca 0.00 0.24 0.08 0.00 0.84 0.00 0.00 57.88 59.04 1x52 h LEU 43 Cb 0.00 0.43 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 1x52 h LEU 43 CO 0.00 -0.27 0.41 0.50 -0.34 0.00 0.00 178.44 178.74 1x52 h LYS 44 N 0.06 0.70 0.37 1.25 3.64 -1.98 0.22 116.57 120.82 1x52 h LYS 44 Ca 0.51 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.83 1x52 h LYS 44 Cb 0.96 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1x52 h LYS 44 CO -0.82 0.46 -0.18 1.96 -2.27 0.00 0.00 179.45 178.61 1x52 h GLN 45 N 0.72 -0.47 -0.87 1.90 4.20 -1.33 -2.85 115.11 116.40 1x52 h GLN 45 Ca 0.35 0.03 0.14 0.00 0.06 0.00 0.00 58.65 59.23 1x52 h GLN 45 Cb 0.29 0.11 -0.09 0.00 0.30 0.00 0.00 27.48 28.09 1x52 h GLN 45 CO -0.23 -0.16 0.47 0.28 -0.67 0.00 0.00 178.83 178.53 1x52 h VAL 46 N -0.86 0.77 0.00 -0.54 2.07 -1.24 0.46 116.25 116.91 1x52 h VAL 46 Ca -0.05 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1x52 h VAL 46 Cb 0.54 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1x52 h VAL 46 CO 0.08 0.13 -0.08 -0.33 0.02 0.00 0.00 177.57 177.39 1x52 h GLU 47 N 0.69 0.00 0.00 1.57 5.08 -0.57 -1.50 114.58 119.85 1x52 h GLU 47 Ca 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 1x52 h GLU 47 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1x52 h GLU 47 CO -0.34 0.08 0.00 1.17 -1.00 0.00 0.00 179.01 178.92 1x52 n LYS 48 N -3.69 0.00 -0.28 2.33 4.81 0.03 -4.17 118.16 117.19 1x52 n LYS 48 Ca -0.02 0.48 0.31 0.00 -0.87 0.00 0.00 58.31 58.21 1x52 n LYS 48 Cb 0.19 -1.17 0.70 0.00 0.02 0.00 0.00 35.03 34.76 1x52 n LYS 48 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1x52 h ALA 49 N -2.00 2.87 -0.63 3.14 0.00 -0.40 0.63 119.26 122.87 1x52 h ALA 49 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.02 1x52 h ALA 49 Cb 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.74 1x52 h ALA 49 CO 0.00 -1.19 -0.09 -0.97 0.00 0.00 0.00 179.25 177.00 1x52 h ASN 50 N 0.08 -0.46 -0.92 0.00 -0.73 -1.51 -1.50 115.58 110.54 1x52 h ASN 50 Ca 0.52 0.18 0.23 0.00 1.87 0.00 0.00 56.30 59.10 1x52 h ASN 50 Cb 1.94 0.34 -0.13 0.00 0.27 0.00 0.00 38.32 40.75 1x52 h ASN 50 CO -0.06 -0.18 0.43 1.05 -0.37 0.00 0.00 177.43 178.31 1x52 h GLU 51 N 0.04 0.42 -0.01 6.67 4.11 0.12 -1.53 114.58 124.40 1x52 h GLU 51 Ca 0.32 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.72 1x52 h GLU 51 Cb 0.50 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1x52 h GLU 51 CO -0.61 0.28 -0.02 0.00 0.07 0.00 0.00 179.01 178.73 1x52 n ALA 52 N -2.46 2.62 -2.68 1.06 0.00 -0.60 -4.90 120.51 113.55 1x52 n ALA 52 Ca 0.23 -0.42 -0.17 0.00 0.00 0.00 0.00 53.44 53.08 1x52 n ALA 52 Cb 0.68 -1.20 -0.00 0.00 0.00 0.00 0.00 19.45 18.93 1x52 n ALA 52 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1x52 n MET 53 N -0.00 -2.71 0.00 0.00 2.81 -0.58 -4.87 117.12 111.77 1x52 n MET 53 Ca 0.19 0.70 0.11 0.00 -1.81 0.00 0.00 57.70 56.89 1x52 n MET 53 Cb 0.33 -5.37 0.09 0.00 -0.71 0.00 0.00 33.22 27.56 1x52 n MET 53 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x52 n ALA 54 N -2.60 3.87 -2.61 3.04 0.00 -1.00 -4.92 120.51 116.30 1x52 n ALA 54 Ca -0.14 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.36 1x52 n ALA 54 Cb 0.62 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 1x52 n ALA 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x52 s ILE 55 N -2.78 4.56 -0.07 0.00 1.01 -1.26 -0.10 121.20 122.56 1x52 s ILE 55 Ca 0.14 1.32 -0.19 0.00 0.00 0.00 0.00 60.65 61.92 1x52 s ILE 55 Cb 0.17 -4.35 -0.15 0.00 0.01 0.00 0.00 42.46 38.14 1x52 s ILE 55 CO 0.69 -0.53 0.75 -0.78 0.00 0.00 0.00 174.94 175.08 1x52 h ASP 56 N 8.40 -0.16 -3.73 3.58 1.82 -1.32 -3.37 116.42 121.65 1x52 h ASP 56 Ca -0.23 -0.37 -0.17 0.00 -0.39 0.00 0.00 57.03 55.87 1x52 h ASP 56 Cb 1.07 0.04 -0.26 0.00 0.68 0.00 0.00 39.33 40.86 1x52 h ASP 56 CO 0.99 0.43 -0.45 -0.89 -1.61 0.00 0.00 179.24 177.72 1x52 s THR 57 N -3.08 -0.01 -0.07 2.25 2.01 -1.16 -1.04 115.64 114.53 1x52 s THR 57 Ca -0.12 0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.91 1x52 s THR 57 Cb 0.00 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1x52 s THR 57 CO 0.44 0.01 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.10 1x52 s LEU 58 N 0.34 3.25 -0.13 4.42 2.96 -0.08 -0.37 118.68 129.07 1x52 s LEU 58 Ca -0.02 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 1x52 s LEU 58 Cb -0.03 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1x52 s LEU 58 CO -0.01 0.36 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.44 1x52 s LEU 59 N -0.78 1.89 0.01 -0.68 1.43 0.33 -0.60 118.68 120.28 1x52 s LEU 59 Ca 0.12 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1x52 s LEU 59 Cb -0.11 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 1x52 s LEU 59 CO 0.02 0.03 -0.04 -0.51 0.23 0.00 0.00 176.35 176.08 1x52 s ILE 60 N 1.01 0.28 0.16 -0.59 2.07 -0.82 -0.86 121.20 122.45 1x52 s ILE 60 Ca -0.04 -0.33 -0.31 0.00 -1.41 0.00 0.00 60.65 58.56 1x52 s ILE 60 Cb -0.15 -0.27 -0.09 0.00 0.13 0.00 0.00 42.46 42.08 1x52 s ILE 60 CO -0.04 -0.03 1.44 -0.55 -1.91 0.00 0.00 174.94 173.85 1x52 s SER 61 N -0.39 6.74 0.44 4.50 0.15 0.41 -1.02 113.70 124.52 1x52 s SER 61 Ca -0.02 2.47 0.17 0.00 0.70 0.00 0.00 55.95 59.27 1x52 s SER 61 Cb -0.03 -2.60 1.10 0.00 -1.71 0.00 0.00 66.02 62.79 1x52 s SER 61 CO -0.00 -0.70 1.91 -2.24 1.20 0.00 0.00 173.24 173.41 1x52 h ASP 62 N 6.44 0.35 -0.87 5.45 2.03 -1.89 -1.44 116.42 126.48 1x52 h ASP 62 Ca -0.43 0.02 0.10 0.00 -0.73 0.00 0.00 57.03 55.99 1x52 h ASP 62 Cb 1.21 -0.04 -0.06 0.00 -0.83 0.00 0.00 39.33 39.60 1x52 h ASP 62 CO 0.86 0.17 0.56 1.05 -1.03 0.00 0.00 179.24 180.86 1x52 h GLU 63 N 0.36 0.81 -0.20 4.15 4.11 -1.91 0.21 114.58 122.11 1x52 h GLU 63 Ca 0.38 -0.05 -0.14 0.00 0.07 0.00 0.00 59.36 59.62 1x52 h GLU 63 Cb 0.95 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1x52 h GLU 63 CO -0.12 0.54 -0.41 -0.07 0.07 0.00 0.00 179.01 179.02 1x52 h LEU 64 N 0.84 0.72 -0.59 3.06 3.38 -1.63 -0.98 115.31 120.11 1x52 h LEU 64 Ca 0.41 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1x52 h LEU 64 Cb 0.44 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1x52 h LEU 64 CO -0.17 1.13 0.00 0.33 0.09 0.00 0.00 178.44 179.82 1x52 n PHE 65 N -4.22 0.33 -1.23 1.13 7.35 -0.41 -1.95 117.46 118.46 1x52 n PHE 65 Ca -0.06 0.17 0.08 0.00 -0.76 0.00 0.00 57.45 56.88 1x52 n PHE 65 Cb 0.54 -0.77 0.12 0.00 0.35 0.00 0.00 39.48 39.72 1x52 n PHE 65 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1x52 n ARG 66 N -1.84 1.07 -1.48 -4.13 1.74 0.60 -4.88 116.66 107.73 1x52 n ARG 66 Ca -0.00 -2.30 -0.35 0.00 -0.77 0.00 0.00 57.85 54.42 1x52 n ARG 66 Cb 0.05 -1.33 0.09 0.00 -1.02 0.00 0.00 32.46 30.25 1x52 n ARG 66 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1x52 s HIS 67 N -2.38 2.00 0.13 -1.55 2.46 -0.42 -4.95 115.29 110.58 1x52 s HIS 67 Ca 0.26 1.57 -0.01 0.00 0.47 0.00 0.00 55.06 57.36 1x52 s HIS 67 Cb 0.23 -3.56 -0.13 0.00 -0.13 0.00 0.00 32.58 28.99 1x52 s HIS 67 CO 0.02 -2.79 1.28 -0.56 -2.47 0.00 0.00 174.74 170.23 1x52 h GLN 68 N -0.10 0.24 -6.07 2.88 -0.00 -1.91 -3.42 115.11 106.72 1x52 h GLN 68 Ca -0.49 -0.31 -0.58 0.00 -0.00 0.00 0.00 58.65 57.27 1x52 h GLN 68 Cb 1.31 0.10 -0.06 0.00 -0.00 0.00 0.00 27.48 28.83 1x52 h GLN 68 CO 0.50 1.07 0.79 0.34 -0.00 0.00 0.00 178.83 181.53 1x52 s ASP 69 N -7.00 7.09 0.50 0.06 -1.08 -1.26 -4.93 116.67 110.05 1x52 s ASP 69 Ca -0.03 1.37 0.16 0.00 -0.52 0.00 0.00 52.55 53.52 1x52 s ASP 69 Cb 0.09 -2.54 1.20 0.00 -1.46 0.00 0.00 42.92 40.21 1x52 s ASP 69 CO 0.85 -0.67 2.11 0.58 0.52 0.00 0.00 175.17 178.56 1x52 h VAL 70 N 5.45 1.03 0.50 1.11 2.07 -1.98 0.19 116.25 124.63 1x52 h VAL 70 Ca -0.19 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1x52 h VAL 70 Cb 1.06 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1x52 h VAL 70 CO 0.98 0.05 -0.24 0.00 0.02 0.00 0.00 177.57 178.37 1x52 h ALA 71 N 1.95 -0.67 0.42 1.67 0.00 -1.96 0.71 119.26 121.39 1x52 h ALA 71 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1x52 h ALA 71 Cb 0.08 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1x52 h ALA 71 CO 0.01 -0.79 -0.39 1.15 0.00 0.00 0.00 179.25 179.23 1x52 h THR 72 N -0.86 0.21 -0.35 0.00 2.02 -1.92 -2.47 112.91 109.55 1x52 h THR 72 Ca -0.07 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.17 1x52 h THR 72 Cb 0.59 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 1x52 h THR 72 CO 0.11 0.00 -0.02 -0.09 0.37 0.00 0.00 175.52 175.90 1x52 h ARG 73 N -0.83 0.08 -0.92 6.66 2.43 -0.65 -1.12 114.38 120.02 1x52 h ARG 73 Ca -0.04 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.25 1x52 h ARG 73 Cb 0.73 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.17 1x52 h ARG 73 CO -0.04 0.05 0.55 0.77 -1.51 0.00 0.00 179.97 179.78 1x52 h SER 74 N 0.08 0.77 -0.22 -3.80 0.02 -0.76 -1.17 113.55 108.46 1x52 h SER 74 Ca 0.17 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1x52 h SER 74 Cb 0.24 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1x52 h SER 74 CO -0.29 0.39 0.04 0.03 -1.14 0.00 0.00 176.83 175.85 1x52 h ARG 75 N 0.84 0.12 0.56 3.45 3.08 -0.73 0.63 114.38 122.35 1x52 h ARG 75 Ca 0.47 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.49 1x52 h ARG 75 Cb 0.53 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.56 1x52 h ARG 75 CO -0.29 0.08 -0.27 1.88 -1.07 0.00 0.00 179.97 180.30 1x52 h TYR 76 N 0.13 -0.70 -0.55 3.04 0.05 -1.07 -1.57 116.97 116.30 1x52 h TYR 76 Ca 0.10 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 1x52 h TYR 76 Cb 0.10 0.23 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 1x52 h TYR 76 CO -0.15 -0.40 0.19 -0.39 -1.05 0.00 0.00 178.16 176.36 1x52 h VAL 77 N -0.85 1.21 0.78 -2.88 -1.51 -1.04 0.11 116.25 112.07 1x52 h VAL 77 Ca -0.08 -0.69 -0.03 0.00 -1.23 0.00 0.00 66.70 64.67 1x52 h VAL 77 Cb 0.62 0.59 -0.00 0.00 -2.13 0.00 0.00 31.29 30.36 1x52 h VAL 77 CO 0.13 0.27 -0.50 0.03 -1.23 0.00 0.00 177.57 176.27 1x52 h ARG 78 N 0.79 -1.16 -0.67 5.19 2.47 -0.88 -0.82 114.38 119.29 1x52 h ARG 78 Ca 0.18 0.08 0.07 0.00 -1.26 0.00 0.00 59.98 59.05 1x52 h ARG 78 Cb 0.20 0.26 -0.06 0.00 -1.65 0.00 0.00 29.97 28.72 1x52 h ARG 78 CO -0.01 -0.77 0.36 1.25 0.56 0.00 0.00 179.97 181.35 1x52 h LEU 79 N -1.20 0.50 -0.20 3.04 5.85 -0.91 0.16 115.31 122.55 1x52 h LEU 79 Ca -0.10 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1x52 h LEU 79 Cb 0.97 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 1x52 h LEU 79 CO 0.10 0.32 -0.18 0.58 -0.34 0.00 0.00 178.44 178.91 1x52 h VAL 80 N 0.64 0.52 -0.03 1.05 2.07 -0.66 -0.43 116.25 119.41 1x52 h VAL 80 Ca 0.31 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.66 1x52 h VAL 80 Cb 0.24 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1x52 h VAL 80 CO -0.21 0.00 -0.75 0.44 0.02 0.00 0.00 177.57 177.07 1x52 h ASP 81 N -0.19 0.26 -0.66 0.57 3.32 -0.12 -2.90 116.42 116.69 1x52 h ASP 81 Ca 0.12 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1x52 h ASP 81 Cb 0.38 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1x52 h ASP 81 CO -0.31 0.91 0.31 0.28 -1.72 0.00 0.00 179.24 178.71 1x52 h SER 82 N 0.14 0.89 -0.20 6.45 0.02 -0.57 -1.91 113.55 118.37 1x52 h SER 82 Ca -0.03 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1x52 h SER 82 Cb 1.31 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1x52 h SER 82 CO 0.11 0.76 0.05 0.58 -1.14 0.00 0.00 176.83 177.19 1x52 h VAL 83 N 0.97 1.15 0.00 2.27 2.07 -0.87 0.10 116.25 121.94 1x52 h VAL 83 Ca 0.24 -0.54 -0.11 0.00 0.82 0.00 0.00 66.70 67.11 1x52 h VAL 83 Cb 0.12 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1x52 h VAL 83 CO -0.03 0.19 -0.51 0.11 0.02 0.00 0.00 177.57 177.35 1x52 h LYS 84 N 0.41 0.00 -0.14 1.57 1.57 -1.29 0.11 116.57 118.80 1x52 h LYS 84 Ca 0.10 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1x52 h LYS 84 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1x52 h LYS 84 CO -0.00 0.51 0.03 0.93 -0.57 0.00 0.00 179.45 180.34 1x52 h GLU 85 N 0.00 0.23 -0.53 3.15 5.08 -0.66 -3.04 114.58 118.81 1x52 h GLU 85 Ca -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1x52 h GLU 85 Cb 0.92 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1x52 h GLU 85 CO 0.07 0.41 0.00 0.09 -1.00 0.00 0.00 179.01 178.58 1x52 n ASN 86 N -4.82 0.53 -3.79 1.42 3.02 -0.08 -4.84 115.26 106.70 1x52 n ASN 86 Ca -0.05 -1.47 -0.30 0.00 -0.03 0.00 0.00 54.58 52.73 1x52 n ASN 86 Cb 0.17 -0.27 0.02 0.00 -0.61 0.00 0.00 39.78 39.10 1x52 n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x52 n ALA 87 N -0.04 -2.37 -2.45 5.41 0.00 -0.97 -4.87 120.51 115.21 1x52 n ALA 87 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 53.44 52.95 1x52 n ALA 87 Cb 0.13 -3.13 -0.11 0.00 0.00 0.00 0.00 19.45 16.34 1x52 n ALA 87 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x52 s GLY 88 N -3.79 1.40 0.45 0.00 0.00 0.35 -4.92 107.32 100.81 1x52 s GLY 88 Ca 0.31 -1.49 -0.21 0.00 0.00 0.00 0.00 44.72 43.33 1x52 s GLY 88 CO 0.88 -1.54 1.02 -1.59 0.00 0.00 0.00 173.10 171.87 1x52 s THR 89 N -2.04 3.88 -0.17 0.90 2.01 -0.21 -3.83 115.64 116.19 1x52 s THR 89 Ca 0.16 1.25 -0.05 0.00 0.31 0.00 0.00 61.69 63.35 1x52 s THR 89 Cb -0.06 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 1x52 s THR 89 CO 0.07 -0.18 0.00 -0.69 -0.69 0.00 0.00 174.62 173.13 1x52 s VAL 90 N -1.92 4.24 -0.17 3.82 1.01 -1.26 -0.90 120.40 125.21 1x52 s VAL 90 Ca 0.63 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1x52 s VAL 90 Cb -0.17 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.35 1x52 s VAL 90 CO 0.21 0.48 -0.20 -0.13 0.00 0.00 0.00 175.10 175.46 1x52 s ARG 91 N 0.39 3.02 -0.24 2.72 1.81 0.23 -4.95 118.95 121.93 1x52 s ARG 91 Ca -0.01 -0.83 -0.07 0.00 -1.72 0.00 0.00 55.73 53.10 1x52 s ARG 91 Cb -0.13 -2.55 -0.02 0.00 -0.45 0.00 0.00 34.95 31.79 1x52 s ARG 91 CO 0.02 -0.15 0.04 0.42 -0.68 0.00 0.00 175.30 174.95 1x52 s ILE 92 N 1.15 4.11 0.51 1.52 -1.09 -1.26 -1.94 121.20 124.19 1x52 s ILE 92 Ca 0.01 -0.24 -0.04 0.00 -2.23 0.00 0.00 60.65 58.15 1x52 s ILE 92 Cb -0.14 -2.91 -0.01 0.00 -1.58 0.00 0.00 42.46 37.82 1x52 s ILE 92 CO -0.09 0.36 0.79 -0.36 -1.23 0.00 0.00 174.94 174.41 1x52 s PHE 93 N 1.55 3.39 -0.34 3.97 0.40 -0.19 -4.90 117.98 121.86 1x52 s PHE 93 Ca 0.06 0.62 -0.10 0.00 -0.60 0.00 0.00 56.93 56.91 1x52 s PHE 93 Cb -0.15 -2.43 0.01 0.00 0.51 0.00 0.00 43.02 40.96 1x52 s PHE 93 CO 0.02 -0.46 0.18 -1.12 0.70 0.00 0.00 175.22 174.54 1x52 s SER 94 N -4.19 5.64 0.53 1.36 0.01 -1.26 -3.21 113.70 112.58 1x52 s SER 94 Ca 0.49 -0.72 0.23 0.00 1.31 0.00 0.00 55.95 57.26 1x52 s SER 94 Cb -0.10 -2.01 1.36 0.00 0.21 0.00 0.00 66.02 65.48 1x52 s SER 94 CO 0.43 -0.28 2.04 -1.28 0.41 0.00 0.00 173.24 174.56 1x52 h SER 95 N 8.39 0.00 -0.58 2.44 0.87 -1.97 -1.16 113.55 121.54 1x52 h SER 95 Ca -0.29 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.19 1x52 h SER 95 Cb 1.13 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.06 1x52 h SER 95 CO 0.64 0.00 0.08 -0.07 -0.53 0.00 0.00 176.83 176.95 1x52 h LEU 96 N 0.00 0.96 -9.85 2.23 -0.00 -2.00 -3.42 115.31 103.22 1x52 h LEU 96 Ca 0.18 -0.23 -0.49 0.00 -0.00 0.00 0.00 57.88 57.34 1x52 h LEU 96 Cb 0.74 -0.26 0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1x52 h LEU 96 CO -0.00 0.97 0.44 -2.28 -0.00 0.00 0.00 178.44 177.57 1x52 s HIS 97 N -5.14 3.52 0.25 1.13 2.46 -0.44 -4.96 115.29 112.11 1x52 s HIS 97 Ca -0.11 1.71 0.35 0.00 0.47 0.00 0.00 55.06 57.48 1x52 s HIS 97 Cb 0.15 -3.19 1.81 0.00 -0.13 0.00 0.00 32.58 31.21 1x52 s HIS 97 CO 0.84 -0.45 2.08 -0.24 -2.47 0.00 0.00 174.74 174.49 1x52 h VAL 98 N 2.80 0.00 0.00 0.89 3.04 -1.84 0.07 116.25 121.21 1x52 h VAL 98 Ca -0.47 -0.13 -0.01 0.00 -1.01 0.00 0.00 66.70 65.08 1x52 h VAL 98 Cb 1.21 0.99 -0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1x52 h VAL 98 CO 0.65 0.00 -0.05 0.28 -1.01 0.00 0.00 177.57 177.44 1x52 h SER 99 N 0.00 0.00 0.53 3.17 0.02 -1.93 -0.01 113.55 115.33 1x52 h SER 99 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1x52 h SER 99 Cb 0.14 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.68 1x52 h SER 99 CO 0.00 0.05 -0.25 1.23 -1.14 0.00 0.00 176.83 176.72 1x52 h GLY 100 N 0.28 -0.74 0.95 -3.77 0.00 -1.16 -0.94 103.07 97.69 1x52 h GLY 100 Ca -0.00 0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.69 1x52 h GLY 100 CO 0.01 -0.27 0.49 0.83 0.00 0.00 0.00 176.54 177.59 1x52 h GLU 101 N -0.77 0.68 -0.24 4.80 5.08 -1.34 0.85 114.58 123.65 1x52 h GLU 101 Ca -0.07 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1x52 h GLU 101 Cb 0.57 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1x52 h GLU 101 CO 0.12 0.45 -0.05 1.96 -1.00 0.00 0.00 179.01 180.49 1x52 h GLN 102 N 0.70 0.46 -0.63 2.33 4.20 -1.00 -3.17 115.11 118.00 1x52 h GLN 102 Ca 0.33 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1x52 h GLN 102 Cb 0.38 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1x52 h GLN 102 CO -0.12 0.68 0.30 1.25 -0.67 0.00 0.00 178.83 180.27 1x52 h LEU 103 N 0.20 0.80 -1.90 1.46 5.85 0.29 -2.71 115.31 119.30 1x52 h LEU 103 Ca 0.06 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1x52 h LEU 103 Cb 0.51 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1x52 h LEU 103 CO 0.02 0.68 -0.10 0.28 -0.34 0.00 0.00 178.44 178.99 1x52 h SER 104 N 0.89 0.00 0.00 1.25 0.02 -0.87 0.39 113.55 115.22 1x52 h SER 104 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1x52 h SER 104 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1x52 h SER 104 CO -0.03 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.76 1x52 n GLN 105 N -4.21 0.49 -1.79 3.45 6.02 -1.02 -1.58 117.38 118.75 1x52 n GLN 105 Ca -0.03 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.98 1x52 n GLN 105 Cb 0.18 -1.31 0.05 0.00 1.02 0.00 0.00 30.24 30.18 1x52 n GLN 105 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1x52 n LEU 106 N -0.81 1.58 -0.18 1.08 4.77 0.10 -4.98 117.00 118.56 1x52 n LEU 106 Ca 0.07 -2.66 -0.02 0.00 -0.03 0.00 0.00 56.01 53.37 1x52 n LEU 106 Cb 0.03 0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1x52 n LEU 106 CO 0.05 0.84 -0.02 0.35 -1.33 0.00 0.00 177.39 177.28 1x52 n THR 107 N -0.06 0.00 -1.12 -5.08 -2.24 -0.61 -2.72 114.28 102.45 1x52 n THR 107 Ca 0.10 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.84 1x52 n THR 107 Cb 0.99 -1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.10 1x52 n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x52 n GLY 108 N 0.83 0.70 2.84 3.38 0.00 0.71 -4.85 105.19 108.80 1x52 n GLY 108 Ca -0.02 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.18 1x52 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x52 s VAL 109 N -2.10 -0.25 0.30 1.61 0.11 -1.10 -0.45 120.40 118.52 1x52 s VAL 109 Ca 0.00 0.35 -0.03 0.00 -2.93 0.00 0.00 61.98 59.37 1x52 s VAL 109 Cb 0.00 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.55 1x52 s VAL 109 CO 0.00 0.15 0.39 0.00 -3.33 0.00 0.00 175.10 172.31 1x52 s ALA 110 N 2.24 0.76 -0.15 1.54 0.00 -0.04 -0.82 121.76 125.29 1x52 s ALA 110 Ca 0.03 -1.49 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 1x52 s ALA 110 Cb -0.12 1.22 0.09 0.00 0.00 0.00 0.00 23.12 24.31 1x52 s ALA 110 CO -0.06 -0.75 0.80 0.00 0.00 0.00 0.00 175.76 175.75 1x52 s ALA 111 N -3.49 -1.83 0.16 0.00 0.00 -0.76 -0.51 121.76 115.33 1x52 s ALA 111 Ca 0.32 1.59 -0.26 0.00 0.00 0.00 0.00 51.96 53.61 1x52 s ALA 111 Cb 0.01 -0.57 -0.08 0.00 0.00 0.00 0.00 23.12 22.48 1x52 s ALA 111 CO 0.17 -0.33 0.80 0.42 0.00 0.00 0.00 175.76 176.82 1x52 s ILE 112 N -0.67 4.36 -0.07 0.00 1.01 0.51 -2.53 121.20 123.81 1x52 s ILE 112 Ca -0.05 1.75 -0.02 0.00 0.00 0.00 0.00 60.65 62.34 1x52 s ILE 112 Cb -0.02 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 1x52 s ILE 112 CO 0.04 0.50 0.02 -0.76 0.00 0.00 0.00 174.94 174.75 1x52 s LEU 113 N -1.03 3.69 0.10 2.97 1.43 -0.29 -0.89 118.68 124.65 1x52 s LEU 113 Ca 0.37 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.32 1x52 s LEU 113 Cb -0.23 -1.92 -0.12 0.00 0.03 0.00 0.00 46.19 43.94 1x52 s LEU 113 CO 0.27 0.36 1.49 0.03 0.23 0.00 0.00 176.35 178.72 1x52 h ARG 114 N 4.90 -0.58 -5.17 1.70 3.08 -0.82 -3.45 114.38 114.04 1x52 h ARG 114 Ca -0.51 0.04 -0.35 0.00 0.07 0.00 0.00 59.98 59.23 1x52 h ARG 114 Cb 1.19 0.13 -0.15 0.00 0.08 0.00 0.00 29.97 31.23 1x52 h ARG 114 CO 0.56 -0.39 -0.72 -0.59 -1.07 0.00 0.00 179.97 177.76 1x52 s PHE 115 N -5.41 1.34 -0.47 3.04 -0.12 -1.26 -5.06 117.98 110.04 1x52 s PHE 115 Ca -0.14 -0.71 -0.28 0.00 -0.05 0.00 0.00 56.93 55.75 1x52 s PHE 115 Cb 0.06 -0.67 -0.00 0.00 -0.63 0.00 0.00 43.02 41.77 1x52 s PHE 115 CO 0.54 0.13 1.62 -1.25 -0.05 0.00 0.00 175.22 176.21 1x52 s PRO 116 N -3.62 3.24 0.31 1.99 0.04 -1.26 -4.70 135.00 131.00 1x52 s PRO 116 Ca 0.17 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.81 1x52 s PRO 116 Cb 0.01 -4.18 -0.12 0.00 0.04 0.00 0.00 34.50 30.26 1x52 s PRO 116 CO 0.02 -1.99 1.54 0.28 0.04 0.00 0.00 177.00 176.89 1x52 n VAL 117 N 7.15 1.31 -2.04 -0.36 0.31 -1.15 -4.94 118.33 118.61 1x52 n VAL 117 Ca 0.18 -0.33 -0.43 0.00 -0.01 0.00 0.00 64.34 63.76 1x52 n VAL 117 Cb 0.49 -1.90 -0.03 0.00 -0.91 0.00 0.00 33.84 31.49 1x52 n VAL 117 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1x52 s PRO 118 N -0.96 3.59 0.10 5.55 0.04 -1.26 -4.54 135.00 137.52 1x52 s PRO 118 Ca 0.61 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1x52 s PRO 118 Cb -0.51 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 29.91 1x52 s PRO 118 CO 0.53 -1.55 0.00 0.45 0.04 0.00 0.00 177.00 176.47 1x52 n SER 119 N 9.29 -0.85 0.00 6.66 2.88 -1.26 -5.11 113.62 125.24 1x52 n SER 119 Ca 0.21 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1x52 n SER 119 Cb 0.46 1.16 0.00 0.00 -0.75 0.00 0.00 64.21 65.07 1x52 n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x52 n GLY 120 N -1.30 4.39 0.23 0.46 0.00 -1.26 -4.96 105.19 102.74 1x52 n GLY 120 Ca 0.00 -1.39 0.11 0.00 0.00 0.00 0.00 46.02 44.74 1x52 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x52 h PRO 121 N 0.00 0.00 -6.60 1.61 0.13 -1.96 -3.42 132.00 121.76 1x52 h PRO 121 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1x52 h PRO 121 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1x52 h PRO 121 CO 0.00 0.20 -0.95 0.43 -0.23 0.00 0.00 178.00 177.45 1x52 n SER 122 N -3.48 -4.89 -4.58 1.44 7.64 -1.26 -4.58 113.62 103.91 1x52 n SER 122 Ca -0.01 -1.07 -0.39 0.00 1.01 0.00 0.00 58.87 58.42 1x52 n SER 122 Cb 0.37 -2.37 0.04 0.00 -1.01 0.00 0.00 64.21 61.24 1x52 n SER 122 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x52 n SER 123 N -2.39 0.53 -0.20 6.43 7.64 -1.26 -5.10 113.62 119.27 1x52 n SER 123 Ca -0.15 0.85 0.15 0.00 1.01 0.00 0.00 58.87 60.73 1x52 n SER 123 Cb 0.60 -1.33 0.77 0.00 -1.01 0.00 0.00 64.21 63.24 1x52 n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64