#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x52 s SER 2 N 0.00 -0.02 0.32 1.61 1.04 -1.26 -5.18 113.70 110.21 1x52 s SER 2 Ca 0.00 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.13 1x52 s SER 2 Cb 0.00 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 1x52 s SER 2 CO 0.00 -0.62 0.22 -0.44 0.98 0.00 0.00 173.24 173.38 1x52 s SER 3 N -2.24 1.65 0.28 7.02 0.01 -1.26 -5.14 113.70 114.01 1x52 s SER 3 Ca -0.03 -1.68 0.06 0.00 1.31 0.00 0.00 55.95 55.61 1x52 s SER 3 Cb 0.00 0.51 -0.02 0.00 0.21 0.00 0.00 66.02 66.72 1x52 s SER 3 CO -0.05 -0.99 0.21 0.61 0.41 0.00 0.00 173.24 173.42 1x52 n GLY 4 N -0.62 3.18 3.32 3.44 0.00 -1.26 -5.06 105.19 108.18 1x52 n GLY 4 Ca 0.04 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 1x52 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x52 n SER 5 N -1.89 -4.86 -4.09 1.61 7.64 -1.26 -5.04 113.62 105.73 1x52 n SER 5 Ca 0.04 -0.23 -0.07 0.00 1.01 0.00 0.00 58.87 59.62 1x52 n SER 5 Cb 0.49 -1.43 -0.10 0.00 -1.01 0.00 0.00 64.21 62.15 1x52 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x52 s SER 6 N -1.48 0.52 -0.43 6.43 1.04 -1.26 -4.85 113.70 113.67 1x52 s SER 6 Ca 0.31 -0.98 -0.01 0.00 0.48 0.00 0.00 55.95 55.76 1x52 s SER 6 Cb -0.03 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1x52 s SER 6 CO 0.80 -0.58 0.18 0.61 0.98 0.00 0.00 173.24 175.23 1x52 n GLY 7 N 0.18 0.36 0.00 7.32 0.00 -1.26 -5.08 105.19 106.71 1x52 n GLY 7 Ca -0.14 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1x52 n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x52 n THR 8 N -3.55 0.00 -1.71 2.61 -2.24 -1.26 -4.93 114.28 103.20 1x52 n THR 8 Ca -0.03 0.00 -0.61 0.00 -2.27 0.00 0.00 64.05 61.14 1x52 n THR 8 Cb 0.53 -0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 67.89 1x52 n THR 8 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1x52 n VAL 9 N 0.00 0.16 -2.60 2.28 0.31 -1.26 -4.80 118.33 112.42 1x52 n VAL 9 Ca 0.00 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.88 1x52 n VAL 9 Cb 0.00 -0.87 -0.01 0.00 -0.91 0.00 0.00 33.84 32.04 1x52 n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x52 s ALA 10 N 2.98 3.12 0.27 3.52 0.00 -1.26 -4.89 121.76 125.50 1x52 s ALA 10 Ca 1.00 -2.68 0.03 0.00 0.00 0.00 0.00 51.96 50.30 1x52 s ALA 10 Cb -1.23 -4.56 -0.03 0.00 0.00 0.00 0.00 23.12 17.30 1x52 s ALA 10 CO 0.70 -3.39 0.22 -1.54 0.00 0.00 0.00 175.76 171.76 1x52 s SER 11 N 4.43 0.89 0.19 0.00 1.04 -1.26 -5.11 113.70 113.87 1x52 s SER 11 Ca 0.50 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1x52 s SER 11 Cb 0.02 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1x52 s SER 11 CO 0.00 -0.97 0.00 0.54 0.98 0.00 0.00 173.24 173.79 1x52 n ARG 12 N -0.45 0.00 -3.61 4.02 1.74 -1.26 -5.14 116.66 111.96 1x52 n ARG 12 Ca 0.04 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.96 1x52 n ARG 12 Cb 0.64 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 32.01 1x52 n ARG 12 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1x52 s LEU 13 N -5.95 -0.15 0.00 0.55 -0.00 -1.26 -4.99 118.68 106.87 1x52 s LEU 13 Ca 0.00 0.55 0.00 0.00 -0.00 0.00 0.00 54.13 54.68 1x52 s LEU 13 Cb 0.00 2.10 0.00 0.00 -0.00 0.00 0.00 46.19 48.29 1x52 s LEU 13 CO 0.00 -0.53 0.00 -1.20 -0.00 0.00 0.00 176.35 174.62 1x52 n SER 14 N 1.14 0.00 -3.77 1.48 7.64 -1.26 -5.11 113.62 113.75 1x52 n SER 14 Ca -0.19 -0.05 -0.06 0.00 1.01 0.00 0.00 58.87 59.57 1x52 n SER 14 Cb 0.57 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 1x52 n SER 14 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x52 s ASP 15 N 0.00 -0.25 -0.01 6.43 2.15 -1.26 -5.05 116.67 118.69 1x52 s ASP 15 Ca 0.00 -0.46 -0.22 0.00 0.43 0.00 0.00 52.55 52.30 1x52 s ASP 15 Cb 0.00 0.60 -0.13 0.00 -0.30 0.00 0.00 42.92 43.10 1x52 s ASP 15 CO 0.00 -1.10 0.94 0.74 -0.17 0.00 0.00 175.17 175.58 1x52 h THR 16 N 2.00 0.09 0.14 1.71 2.02 -1.99 -3.12 112.91 113.75 1x52 h THR 16 Ca -0.22 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 1x52 h THR 16 Cb 1.25 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1x52 h THR 16 CO 0.25 0.02 -0.07 0.50 0.37 0.00 0.00 175.52 176.59 1x52 h LYS 17 N -1.16 -0.18 -0.75 6.66 3.11 -2.01 -2.69 116.57 119.55 1x52 h LYS 17 Ca -0.08 0.01 0.12 0.00 -2.81 0.00 0.00 60.65 57.90 1x52 h LYS 17 Cb 0.60 0.04 -0.09 0.00 -1.00 0.00 0.00 32.23 31.78 1x52 h LYS 17 CO 0.12 0.07 0.34 0.00 -2.81 0.00 0.00 179.45 177.17 1x52 h ALA 18 N 0.41 1.06 0.00 5.00 0.00 -1.98 -1.68 119.26 122.08 1x52 h ALA 18 Ca -0.02 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1x52 h ALA 18 Cb 0.33 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1x52 h ALA 18 CO 0.03 -0.13 -0.08 0.00 0.00 0.00 0.00 179.25 179.07 1x52 h ALA 19 N 1.50 1.04 -0.17 0.00 0.00 -1.42 -0.28 119.26 119.93 1x52 h ALA 19 Ca 0.40 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 1x52 h ALA 19 Cb 0.53 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1x52 h ALA 19 CO -0.35 0.10 -0.30 0.78 0.00 0.00 0.00 179.25 179.49 1x52 h GLY 20 N 1.81 0.55 0.98 0.00 0.00 -0.99 -0.51 103.07 104.91 1x52 h GLY 20 Ca -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1x52 h GLY 20 CO 0.01 0.57 0.24 0.83 0.00 0.00 0.00 176.54 178.19 1x52 h GLU 21 N 0.14 0.76 0.09 4.80 3.07 -1.40 -1.82 114.58 120.22 1x52 h GLU 21 Ca 0.01 -0.12 0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1x52 h GLU 21 Cb 0.88 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 1x52 h GLU 21 CO 0.07 0.64 -0.11 0.28 -1.40 0.00 0.00 179.01 178.48 1x52 h VAL 22 N 0.70 0.73 -0.93 3.13 2.07 -1.03 0.29 116.25 121.21 1x52 h VAL 22 Ca 0.18 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.71 1x52 h VAL 22 Cb 0.13 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1x52 h VAL 22 CO -0.02 0.00 0.62 0.50 0.02 0.00 0.00 177.57 178.69 1x52 h LYS 23 N -0.24 1.22 0.36 1.57 3.11 -0.89 0.24 116.57 121.94 1x52 h LYS 23 Ca 0.01 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1x52 h LYS 23 Cb 0.24 -0.28 -0.02 0.00 -1.00 0.00 0.00 32.23 31.18 1x52 h LYS 23 CO -0.05 0.81 -0.31 0.00 -2.81 0.00 0.00 179.45 177.08 1x52 h ALA 24 N 1.42 -0.69 -0.86 5.00 0.00 -1.11 -1.00 119.26 122.02 1x52 h ALA 24 Ca 0.34 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1x52 h ALA 24 Cb -0.14 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1x52 h ALA 24 CO -0.08 -0.92 0.53 1.25 0.00 0.00 0.00 179.25 180.04 1x52 h LEU 25 N -0.68 0.83 0.01 0.00 5.85 0.35 0.03 115.31 121.70 1x52 h LEU 25 Ca -0.03 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1x52 h LEU 25 Cb 0.61 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1x52 h LEU 25 CO -0.03 0.53 -0.00 -0.78 -0.34 0.00 0.00 178.44 177.81 1x52 h ASP 26 N 0.97 -0.01 -0.55 1.25 3.58 -0.49 0.13 116.42 121.30 1x52 h ASP 26 Ca 0.38 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.70 1x52 h ASP 26 Cb 0.18 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 1x52 h ASP 26 CO -0.18 0.00 -0.09 -0.78 -2.88 0.00 0.00 179.24 175.32 1x52 h ASP 27 N -0.02 1.04 0.66 2.28 3.58 -0.74 -2.16 116.42 121.06 1x52 h ASP 27 Ca -0.00 -0.34 -0.03 0.00 0.42 0.00 0.00 57.03 57.08 1x52 h ASP 27 Cb 0.02 -0.28 0.01 0.00 1.72 0.00 0.00 39.33 40.80 1x52 h ASP 27 CO 0.00 1.13 -0.32 0.15 -2.88 0.00 0.00 179.24 177.33 1x52 h PHE 28 N 0.93 -0.83 -0.93 0.28 3.04 -0.86 -3.08 116.94 115.50 1x52 h PHE 28 Ca 0.15 -0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.18 1x52 h PHE 28 Cb 0.66 0.27 -0.07 0.00 2.56 0.00 0.00 35.95 39.37 1x52 h PHE 28 CO 0.04 -0.49 0.60 1.88 -2.02 0.00 0.00 178.31 178.32 1x52 h TYR 29 N -0.99 1.01 -0.52 0.41 0.05 -0.68 0.53 116.97 116.78 1x52 h TYR 29 Ca -0.09 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.77 1x52 h TYR 29 Cb 0.71 -0.33 -0.09 0.00 1.01 0.00 0.00 36.73 38.04 1x52 h TYR 29 CO -0.01 0.46 -0.56 -0.22 -1.05 0.00 0.00 178.16 176.78 1x52 h LYS 30 N 0.93 -0.30 -0.33 4.88 3.64 -1.36 -1.88 116.57 122.15 1x52 h LYS 30 Ca 0.43 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.77 1x52 h LYS 30 Cb 0.41 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1x52 h LYS 30 CO -0.19 -0.20 -0.05 0.52 -2.27 0.00 0.00 179.45 177.25 1x52 h MET 31 N -0.31 0.54 -0.54 1.90 2.86 -1.08 -1.33 114.93 116.96 1x52 h MET 31 Ca 0.09 -0.13 0.15 0.00 -2.06 0.00 0.00 59.70 57.75 1x52 h MET 31 Cb 0.55 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1x52 h MET 31 CO -0.66 0.60 0.39 1.25 1.06 0.00 0.00 176.91 179.55 1x52 h LEU 32 N 0.51 0.02 0.00 1.22 5.85 -0.13 0.21 115.31 122.99 1x52 h LEU 32 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1x52 h LEU 32 Cb 0.41 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1x52 h LEU 32 CO 0.02 0.01 -0.13 1.56 -0.34 0.00 0.00 178.44 179.56 1x52 h GLN 33 N 0.02 0.00 -0.46 1.25 1.08 -1.25 -3.39 115.11 112.37 1x52 h GLN 33 Ca 0.26 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.34 1x52 h GLN 33 Cb 1.01 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.42 1x52 h GLN 33 CO -0.01 0.00 -0.17 0.45 -0.95 0.00 0.00 178.83 178.15 1x52 h HIS 34 N -0.46 1.01 -1.01 2.96 3.86 -0.66 -3.39 115.15 117.45 1x52 h HIS 34 Ca 0.00 -0.22 -0.23 0.00 -1.16 0.00 0.00 60.37 58.76 1x52 h HIS 34 Cb 0.13 -0.24 -0.19 0.00 1.06 0.00 0.00 27.41 28.17 1x52 h HIS 34 CO -0.06 0.99 -0.57 -0.85 0.86 0.00 0.00 177.93 178.31 1x52 n GLU 35 N -4.13 0.55 0.00 2.45 0.28 0.63 -5.02 120.64 115.40 1x52 n GLU 35 Ca 0.01 -2.16 0.05 0.00 -0.16 0.00 0.00 57.16 54.90 1x52 n GLU 35 Cb 0.42 -1.49 0.25 0.00 1.43 0.00 0.00 31.44 32.06 1x52 n GLU 35 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1x52 n PRO 36 N 2.65 0.14 0.32 3.44 -0.04 -0.53 -0.88 135.00 140.09 1x52 n PRO 36 Ca 0.18 0.19 0.22 0.00 -0.04 0.00 0.00 63.50 64.05 1x52 n PRO 36 Cb 0.56 -1.50 1.16 0.00 -0.04 0.00 0.00 33.50 33.68 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 -0.44 3.54 3.32 -1.92 -0.73 116.42 120.18 1x52 h ASP 37 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1x52 h ASP 37 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1x52 h ASP 37 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 1x52 n ARG 38 N -3.00 2.78 -3.62 3.56 1.74 -0.06 -2.19 116.66 115.88 1x52 n ARG 38 Ca -0.03 -2.19 -0.29 0.00 -0.77 0.00 0.00 57.85 54.57 1x52 n ARG 38 Cb 0.07 -1.35 -0.13 0.00 -1.02 0.00 0.00 32.46 30.03 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 -1.01 1.56 -0.04 7.54 0.00 -0.28 -1.27 121.76 128.26 1x52 s ALA 39 Ca 0.30 -2.11 -0.14 0.00 0.00 0.00 0.00 51.96 50.00 1x52 s ALA 39 Cb 0.16 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 1x52 s ALA 39 CO 0.20 -1.99 0.38 -0.06 0.00 0.00 0.00 175.76 174.30 1x52 s PHE 40 N 0.91 3.67 0.06 0.00 0.40 -0.61 -4.81 117.98 117.59 1x52 s PHE 40 Ca 0.16 0.90 -0.01 0.00 -0.60 0.00 0.00 56.93 57.38 1x52 s PHE 40 Cb -0.22 -2.30 -0.04 0.00 0.51 0.00 0.00 43.02 40.97 1x52 s PHE 40 CO -0.06 0.55 -0.03 1.52 0.70 0.00 0.00 175.22 177.91 1x52 s TYR 41 N -0.71 0.57 0.07 0.36 1.13 -1.26 -0.94 117.35 116.57 1x52 s TYR 41 Ca 0.22 -1.07 0.00 0.00 -1.41 0.00 0.00 57.07 54.82 1x52 s TYR 41 Cb -0.16 -0.40 0.00 0.00 -1.10 0.00 0.00 41.96 40.30 1x52 s TYR 41 CO 0.11 -0.37 0.00 0.41 -2.51 0.00 0.00 175.55 173.19 1x52 n GLY 42 N 0.09 -3.25 0.37 5.49 0.00 0.11 -4.18 105.19 103.82 1x52 n GLY 42 Ca -0.13 -1.08 0.02 0.00 0.00 0.00 0.00 46.02 44.82 1x52 n GLY 42 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x52 n LEU 43 N -0.93 -0.52 -0.19 0.99 7.94 -1.26 -1.14 117.00 121.89 1x52 n LEU 43 Ca 0.00 1.70 -0.06 0.00 -1.11 0.00 0.00 56.01 56.54 1x52 n LEU 43 Cb 0.00 -0.44 0.03 0.00 0.53 0.00 0.00 43.42 43.55 1x52 n LEU 43 CO 0.00 -1.57 1.10 0.50 -1.11 0.00 0.00 177.39 176.31 1x52 h LYS 44 N 0.00 0.71 0.58 1.96 3.64 -1.99 -1.19 116.57 120.29 1x52 h LYS 44 Ca 0.39 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1x52 h LYS 44 Cb 0.64 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1x52 h LYS 44 CO -0.99 0.47 -0.28 1.96 -2.27 0.00 0.00 179.45 178.35 1x52 h GLN 45 N 0.73 -0.75 -0.92 1.90 4.20 -1.30 -3.05 115.11 115.93 1x52 h GLN 45 Ca 0.21 0.05 0.25 0.00 0.06 0.00 0.00 58.65 59.22 1x52 h GLN 45 Cb -0.06 0.17 -0.14 0.00 0.30 0.00 0.00 27.48 27.76 1x52 h GLN 45 CO -0.06 -0.44 0.39 0.28 -0.67 0.00 0.00 178.83 178.33 1x52 h VAL 46 N -1.00 0.38 -0.76 -0.54 2.07 -1.37 0.17 116.25 115.20 1x52 h VAL 46 Ca -0.08 -0.11 0.12 0.00 0.82 0.00 0.00 66.70 67.44 1x52 h VAL 46 Cb 0.66 0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.37 1x52 h VAL 46 CO 0.13 0.06 0.37 -0.33 0.02 0.00 0.00 177.57 177.82 1x52 h GLU 47 N 0.33 0.57 -0.31 1.57 5.08 -1.11 -0.02 114.58 120.69 1x52 h GLU 47 Ca 0.60 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.80 1x52 h GLU 47 Cb 1.22 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1x52 h GLU 47 CO -0.59 0.38 -0.30 -0.22 -1.00 0.00 0.00 179.01 177.28 1x52 h LYS 48 N 0.59 0.74 -0.82 2.33 1.63 -0.62 -2.21 116.57 118.21 1x52 h LYS 48 Ca 0.39 -0.39 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1x52 h LYS 48 Cb 0.49 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.09 1x52 h LYS 48 CO -0.32 1.01 0.45 0.00 -3.45 0.00 0.00 179.45 177.14 1x52 h ALA 49 N 0.72 1.05 -0.42 5.00 0.00 -0.85 -2.44 119.26 122.32 1x52 h ALA 49 Ca 0.05 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1x52 h ALA 49 Cb 0.87 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1x52 h ALA 49 CO 0.07 0.56 -0.09 -0.97 0.00 0.00 0.00 179.25 178.82 1x52 h ASN 50 N 1.14 0.72 -0.87 0.00 -1.24 -0.84 -1.54 115.58 112.94 1x52 h ASN 50 Ca 0.29 -0.20 0.04 0.00 0.71 0.00 0.00 56.30 57.14 1x52 h ASN 50 Cb 0.03 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 38.84 1x52 h ASN 50 CO -0.05 0.84 0.57 -0.33 -1.29 0.00 0.00 177.43 177.18 1x52 h GLU 51 N 0.67 1.03 0.00 6.67 5.08 -1.13 -1.28 114.58 125.62 1x52 h GLU 51 Ca 0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1x52 h GLU 51 Cb 0.55 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1x52 h GLU 51 CO 0.03 0.68 0.00 0.00 -1.00 0.00 0.00 179.01 178.72 1x52 n ALA 52 N -2.40 2.34 -0.77 3.43 0.00 -0.78 -4.89 120.51 117.44 1x52 n ALA 52 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1x52 n ALA 52 Cb 0.14 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.18 -0.73 0.00 0.00 2.81 -0.48 -4.87 117.12 112.67 1x52 n MET 53 Ca 0.15 0.18 0.11 0.00 -1.81 0.00 0.00 57.70 56.33 1x52 n MET 53 Cb 0.16 -4.38 0.57 0.00 -0.71 0.00 0.00 33.22 28.86 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 1.00 2.17 -2.31 3.04 0.00 -0.65 -4.78 120.51 118.98 1x52 n ALA 54 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 1x52 n ALA 54 Cb 0.18 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.62 3.86 -0.01 0.00 1.01 -1.26 -0.50 121.20 121.68 1x52 s ILE 55 Ca 0.21 0.88 -0.24 0.00 0.00 0.00 0.00 60.65 61.50 1x52 s ILE 55 Cb 0.16 -4.14 -0.16 0.00 0.01 0.00 0.00 42.46 38.32 1x52 s ILE 55 CO 0.36 -0.72 1.14 -0.78 0.00 0.00 0.00 174.94 174.94 1x52 h ASP 56 N 10.90 -0.28 -3.65 3.58 3.58 -1.47 -3.35 116.42 125.74 1x52 h ASP 56 Ca -0.28 -0.24 -0.18 0.00 0.42 0.00 0.00 57.03 56.75 1x52 h ASP 56 Cb 1.11 0.07 -0.27 0.00 1.72 0.00 0.00 39.33 41.96 1x52 h ASP 56 CO 1.08 0.15 -0.47 -0.89 -2.88 0.00 0.00 179.24 176.23 1x52 s THR 57 N -4.29 -0.02 -0.03 2.25 2.01 -1.21 -0.55 115.64 113.81 1x52 s THR 57 Ca -0.14 0.06 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1x52 s THR 57 Cb 0.02 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 1x52 s THR 57 CO 0.53 0.02 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.21 1x52 s LEU 58 N 0.54 3.25 -0.13 4.42 2.96 -0.31 -0.34 118.68 129.07 1x52 s LEU 58 Ca -0.03 -0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1x52 s LEU 58 Cb -0.05 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.87 1x52 s LEU 58 CO -0.03 0.32 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.47 1x52 s LEU 59 N -1.17 1.37 0.02 -0.68 1.43 0.07 -0.98 118.68 118.74 1x52 s LEU 59 Ca 0.15 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1x52 s LEU 59 Cb -0.11 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 1x52 s LEU 59 CO 0.05 -0.11 -0.03 -0.51 0.23 0.00 0.00 176.35 175.98 1x52 s ILE 60 N 1.64 0.14 0.43 -0.59 2.07 -1.00 -0.53 121.20 123.35 1x52 s ILE 60 Ca 0.05 -0.90 -0.25 0.00 -1.41 0.00 0.00 60.65 58.14 1x52 s ILE 60 Cb -0.13 -0.28 -0.08 0.00 0.13 0.00 0.00 42.46 42.10 1x52 s ILE 60 CO -0.09 -0.48 1.26 -0.55 -1.91 0.00 0.00 174.94 173.18 1x52 s SER 61 N -1.43 6.18 0.34 4.50 0.15 0.00 -1.01 113.70 122.42 1x52 s SER 61 Ca -0.15 2.56 0.02 0.00 0.70 0.00 0.00 55.95 59.07 1x52 s SER 61 Cb -0.10 -2.63 0.60 0.00 -1.71 0.00 0.00 66.02 62.19 1x52 s SER 61 CO -0.01 -0.93 1.99 -2.24 1.20 0.00 0.00 173.24 173.25 1x52 h ASP 62 N 2.39 0.75 -0.50 5.45 2.03 -1.89 -2.26 116.42 122.39 1x52 h ASP 62 Ca -0.50 -0.03 0.11 0.00 -0.73 0.00 0.00 57.03 55.89 1x52 h ASP 62 Cb 1.25 -0.19 -0.03 0.00 -0.83 0.00 0.00 39.33 39.54 1x52 h ASP 62 CO 0.61 0.56 0.34 1.05 -1.03 0.00 0.00 179.24 180.78 1x52 h GLU 63 N 0.87 0.18 0.19 4.15 4.11 -1.91 -0.43 114.58 121.73 1x52 h GLU 63 Ca 0.23 -0.01 -0.28 0.00 0.07 0.00 0.00 59.36 59.37 1x52 h GLU 63 Cb -0.07 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.17 1x52 h GLU 63 CO -0.05 0.12 -1.29 -0.07 0.07 0.00 0.00 179.01 177.79 1x52 h LEU 64 N 0.18 0.62 -1.95 3.06 3.38 -1.87 -2.50 115.31 116.23 1x52 h LEU 64 Ca 0.23 -0.92 0.11 0.00 0.09 0.00 0.00 57.88 57.39 1x52 h LEU 64 Cb 0.68 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1x52 h LEU 64 CO -0.04 1.61 0.44 0.15 0.09 0.00 0.00 178.44 180.69 1x52 h PHE 65 N -0.10 0.00 0.00 1.13 3.57 -0.54 -1.86 116.94 119.14 1x52 h PHE 65 Ca -0.24 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.22 1x52 h PHE 65 Cb 1.93 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 40.58 1x52 h PHE 65 CO 0.15 0.00 -0.53 2.89 -2.23 0.00 0.00 178.31 178.59 1x52 n ARG 66 N -3.59 1.01 -1.63 1.11 1.85 -0.40 -4.82 116.66 110.19 1x52 n ARG 66 Ca 0.06 -2.64 -0.42 0.00 -1.00 0.00 0.00 57.85 53.85 1x52 n ARG 66 Cb 0.60 -1.11 0.01 0.00 -1.05 0.00 0.00 32.46 30.91 1x52 n ARG 66 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1x52 n HIS 67 N -0.70 1.44 -0.37 2.89 -0.00 -0.70 -4.91 115.22 112.88 1x52 n HIS 67 Ca 0.14 0.56 0.00 0.00 0.46 0.00 0.00 57.72 58.88 1x52 n HIS 67 Cb 0.79 -2.27 0.15 0.00 -0.12 0.00 0.00 29.99 28.54 1x52 n HIS 67 CO 0.00 0.00 0.00 -0.56 0.46 0.00 0.00 176.34 176.24 1x52 h GLN 68 N 1.74 1.23 -5.90 1.57 3.07 -1.91 -3.38 115.11 111.53 1x52 h GLN 68 Ca -0.45 -0.07 -0.60 0.00 0.09 0.00 0.00 58.65 57.62 1x52 h GLN 68 Cb 1.33 -0.28 -0.10 0.00 0.08 0.00 0.00 27.48 28.51 1x52 h GLN 68 CO 0.58 0.81 0.47 0.34 0.09 0.00 0.00 178.83 181.12 1x52 s ASP 69 N -6.04 6.63 0.35 0.06 -1.08 -1.26 -4.93 116.67 110.40 1x52 s ASP 69 Ca -0.13 0.51 0.17 0.00 -0.52 0.00 0.00 52.55 52.58 1x52 s ASP 69 Cb 0.19 -2.43 1.23 0.00 -1.46 0.00 0.00 42.92 40.45 1x52 s ASP 69 CO 0.82 -0.76 1.55 0.52 0.52 0.00 0.00 175.17 177.81 1x52 n VAL 70 N 5.81 -0.41 0.06 1.11 0.31 -1.26 -0.83 118.33 123.12 1x52 n VAL 70 Ca 0.05 2.02 -0.11 0.00 -0.01 0.00 0.00 64.34 66.28 1x52 n VAL 70 Cb 0.48 -3.22 -0.01 0.00 -0.91 0.00 0.00 33.84 30.18 1x52 n VAL 70 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x52 h ALA 71 N 1.96 0.49 -0.04 3.52 0.00 -1.92 0.25 119.26 123.51 1x52 h ALA 71 Ca 0.79 -0.66 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1x52 h ALA 71 Cb 2.04 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.79 1x52 h ALA 71 CO -0.78 0.80 -0.37 1.15 0.00 0.00 0.00 179.25 180.05 1x52 h THR 72 N 0.24 1.45 -0.30 0.00 2.02 -1.57 -3.21 112.91 111.53 1x52 h THR 72 Ca -0.05 -1.85 0.07 0.00 0.77 0.00 0.00 66.41 65.35 1x52 h THR 72 Cb 1.44 2.47 -0.07 0.00 -1.74 0.00 0.00 68.15 70.25 1x52 h THR 72 CO 0.14 0.53 -0.13 -0.09 0.37 0.00 0.00 175.52 176.34 1x52 h ARG 73 N -0.21 -0.08 -0.58 6.66 2.43 -0.97 -3.07 114.38 118.56 1x52 h ARG 73 Ca -0.03 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.24 1x52 h ARG 73 Cb 1.05 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.55 1x52 h ARG 73 CO 0.07 -0.05 0.17 0.66 -1.51 0.00 0.00 179.97 179.32 1x52 h SER 74 N -0.08 0.11 0.07 -3.80 4.64 -0.52 -0.65 113.55 113.32 1x52 h SER 74 Ca 0.15 0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.59 1x52 h SER 74 Cb 0.31 0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 1x52 h SER 74 CO -0.36 0.07 -0.33 0.03 -0.87 0.00 0.00 176.83 175.38 1x52 h ARG 75 N 0.33 -0.50 0.88 4.77 3.08 -1.54 0.76 114.38 122.15 1x52 h ARG 75 Ca 0.30 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.34 1x52 h ARG 75 Cb 0.40 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1x52 h ARG 75 CO -0.34 -0.34 -0.46 1.88 -1.07 0.00 0.00 179.97 179.64 1x52 h TYR 76 N -0.52 -1.22 -0.69 3.04 0.05 -1.34 -1.13 116.97 115.16 1x52 h TYR 76 Ca 0.04 -0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.84 1x52 h TYR 76 Cb 0.58 0.42 -0.04 0.00 1.01 0.00 0.00 36.73 38.69 1x52 h TYR 76 CO -0.31 -0.73 0.46 -0.39 -1.05 0.00 0.00 178.16 176.14 1x52 h VAL 77 N -1.23 1.08 0.67 -2.88 -1.51 -0.84 0.28 116.25 111.81 1x52 h VAL 77 Ca -0.12 -0.27 -0.03 0.00 -1.23 0.00 0.00 66.70 65.04 1x52 h VAL 77 Cb 0.96 0.21 0.01 0.00 -2.13 0.00 0.00 31.29 30.34 1x52 h VAL 77 CO 0.17 0.15 -0.32 0.03 -1.23 0.00 0.00 177.57 176.37 1x52 h ARG 78 N 0.80 -0.86 -0.59 5.19 2.47 -0.84 -1.37 114.38 119.19 1x52 h ARG 78 Ca 0.28 0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 59.03 1x52 h ARG 78 Cb 0.11 0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.60 1x52 h ARG 78 CO -0.08 -0.54 0.25 1.25 0.56 0.00 0.00 179.97 181.40 1x52 h LEU 79 N -1.01 0.76 0.05 3.04 5.85 -0.38 -0.78 115.31 122.85 1x52 h LEU 79 Ca -0.09 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1x52 h LEU 79 Cb 0.72 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1x52 h LEU 79 CO 0.15 0.67 -0.02 0.58 -0.34 0.00 0.00 178.44 179.48 1x52 h VAL 80 N 0.84 0.96 -0.62 1.05 2.07 -0.45 -2.44 116.25 117.65 1x52 h VAL 80 Ca 0.20 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1x52 h VAL 80 Cb 0.14 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1x52 h VAL 80 CO -0.02 0.01 0.34 -0.78 0.02 0.00 0.00 177.57 177.13 1x52 h ASP 81 N -0.08 0.77 -0.20 0.57 3.58 -0.59 -2.59 116.42 117.89 1x52 h ASP 81 Ca -0.01 -0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.31 1x52 h ASP 81 Cb 0.06 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 1x52 h ASP 81 CO 0.01 0.62 -0.10 -1.28 -2.88 0.00 0.00 179.24 175.62 1x52 h SER 82 N 0.87 0.54 -0.40 2.28 0.87 -0.99 -2.93 113.55 113.79 1x52 h SER 82 Ca 0.22 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 1x52 h SER 82 Cb 0.03 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 1x52 h SER 82 CO -0.04 0.68 0.15 0.58 -0.53 0.00 0.00 176.83 177.67 1x52 h VAL 83 N 0.52 1.19 -0.17 2.23 2.07 -1.02 -2.24 116.25 118.84 1x52 h VAL 83 Ca 0.10 -0.64 -0.12 0.00 0.82 0.00 0.00 66.70 66.87 1x52 h VAL 83 Cb 0.48 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1x52 h VAL 83 CO 0.03 0.24 -0.40 0.11 0.02 0.00 0.00 177.57 177.56 1x52 h LYS 84 N 0.67 0.38 0.00 1.57 1.57 -1.58 -0.65 116.57 118.52 1x52 h LYS 84 Ca 0.16 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1x52 h LYS 84 Cb 0.19 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1x52 h LYS 84 CO -0.01 0.72 -0.04 0.93 -0.57 0.00 0.00 179.45 180.49 1x52 h GLU 85 N 0.31 0.00 -0.69 3.15 4.39 -1.39 -1.84 114.58 118.51 1x52 h GLU 85 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1x52 h GLU 85 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1x52 h GLU 85 CO 0.07 0.04 0.00 0.09 -1.16 0.00 0.00 179.01 178.05 1x52 n ASN 86 N -3.82 4.14 -2.85 1.42 4.13 -0.84 -4.96 115.26 112.48 1x52 n ASN 86 Ca -0.03 -2.17 -0.21 0.00 1.68 0.00 0.00 54.58 53.86 1x52 n ASN 86 Cb 0.13 -0.52 0.01 0.00 -1.54 0.00 0.00 39.78 37.87 1x52 n ASN 86 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x52 n ALA 87 N 1.41 -0.88 -2.65 5.41 0.00 -0.69 -4.94 120.51 118.16 1x52 n ALA 87 Ca 0.24 0.21 -0.29 0.00 0.00 0.00 0.00 53.44 53.61 1x52 n ALA 87 Cb 0.71 -3.07 -0.04 0.00 0.00 0.00 0.00 19.45 17.05 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 -2.47 1.93 0.51 0.00 0.00 -0.31 -4.97 107.32 102.01 1x52 s GLY 88 Ca 0.21 -0.66 -0.19 0.00 0.00 0.00 0.00 44.72 44.08 1x52 s GLY 88 CO 0.26 -0.58 1.04 -1.59 0.00 0.00 0.00 173.10 172.23 1x52 s THR 89 N -1.90 3.82 0.01 0.90 2.01 0.29 -4.11 115.64 116.67 1x52 s THR 89 Ca 0.41 1.07 0.08 0.00 0.31 0.00 0.00 61.69 63.56 1x52 s THR 89 Cb -0.11 -3.44 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 1x52 s THR 89 CO 0.28 -0.31 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.96 1x52 s VAL 90 N -2.10 1.97 -0.08 3.82 1.01 -1.26 -1.16 120.40 122.60 1x52 s VAL 90 Ca 0.66 -1.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1x52 s VAL 90 Cb -0.16 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.58 1x52 s VAL 90 CO 0.24 0.44 -0.03 -0.13 0.00 0.00 0.00 175.10 175.62 1x52 s ARG 91 N -0.89 0.97 -0.20 2.72 1.81 -0.16 -4.87 118.95 118.33 1x52 s ARG 91 Ca 0.10 -0.05 -0.16 0.00 -1.72 0.00 0.00 55.73 53.91 1x52 s ARG 91 Cb -0.10 -1.19 -0.04 0.00 -0.45 0.00 0.00 34.95 33.17 1x52 s ARG 91 CO 0.00 -0.27 0.39 0.42 -0.68 0.00 0.00 175.30 175.17 1x52 s ILE 92 N 1.78 5.20 0.56 1.52 -1.09 -1.26 -2.38 121.20 125.53 1x52 s ILE 92 Ca 0.03 0.69 -0.03 0.00 -2.23 0.00 0.00 60.65 59.12 1x52 s ILE 92 Cb -0.13 -3.72 0.02 0.00 -1.58 0.00 0.00 42.46 37.05 1x52 s ILE 92 CO -0.06 0.25 0.83 -0.36 -1.23 0.00 0.00 174.94 174.38 1x52 s PHE 93 N 1.31 3.11 -0.39 3.97 0.40 -0.18 -4.90 117.98 121.31 1x52 s PHE 93 Ca 0.19 0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 56.76 1x52 s PHE 93 Cb -0.15 -2.70 0.03 0.00 0.51 0.00 0.00 43.02 40.71 1x52 s PHE 93 CO 0.08 -0.80 0.24 -1.12 0.70 0.00 0.00 175.22 174.31 1x52 s SER 94 N -4.34 5.86 0.46 1.36 0.01 -1.26 -3.05 113.70 112.74 1x52 s SER 94 Ca 0.54 -0.97 0.32 0.00 1.31 0.00 0.00 55.95 57.15 1x52 s SER 94 Cb -0.10 -2.07 1.44 0.00 0.21 0.00 0.00 66.02 65.50 1x52 s SER 94 CO 0.42 -0.41 1.66 -1.28 0.41 0.00 0.00 173.24 174.04 1x52 h SER 95 N 8.50 0.20 -0.28 2.44 0.87 -1.96 -1.69 113.55 121.63 1x52 h SER 95 Ca -0.26 0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.31 1x52 h SER 95 Cb 1.11 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1x52 h SER 95 CO 0.69 -0.09 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.74 1x52 h LEU 96 N 0.11 0.66-10.33 2.23 -0.00 -1.97 -3.39 115.31 102.62 1x52 h LEU 96 Ca 0.77 -0.18 -0.51 0.00 -0.00 0.00 0.00 57.88 57.96 1x52 h LEU 96 Cb 2.55 -0.18 0.11 0.00 -0.00 0.00 0.00 40.66 43.14 1x52 h LEU 96 CO -0.28 0.79 0.34 -2.28 -0.00 0.00 0.00 178.44 177.01 1x52 s HIS 97 N -4.82 2.87 0.36 1.13 2.46 -0.63 -4.92 115.29 111.73 1x52 s HIS 97 Ca -0.09 1.46 0.07 0.00 0.47 0.00 0.00 55.06 56.97 1x52 s HIS 97 Cb 0.14 -2.96 0.75 0.00 -0.13 0.00 0.00 32.58 30.39 1x52 s HIS 97 CO 0.80 -1.51 1.93 -0.24 -2.47 0.00 0.00 174.74 173.25 1x52 h VAL 98 N -0.92 0.97 0.00 0.89 3.04 -1.89 0.33 116.25 118.67 1x52 h VAL 98 Ca -0.44 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 1x52 h VAL 98 Cb 1.22 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 1x52 h VAL 98 CO 0.55 0.14 0.00 0.28 -1.01 0.00 0.00 177.57 177.52 1x52 h SER 99 N 0.75 0.00 0.00 3.17 0.02 -1.93 0.33 113.55 115.90 1x52 h SER 99 Ca 0.36 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.26 1x52 h SER 99 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1x52 h SER 99 CO -0.13 0.00 -0.20 1.23 -1.14 0.00 0.00 176.83 176.59 1x52 h GLY 100 N 1.44 0.15 0.54 -3.77 0.00 -1.07 -0.83 103.07 99.53 1x52 h GLY 100 Ca 0.00 -0.26 0.14 0.00 0.00 0.00 0.00 47.33 47.21 1x52 h GLY 100 CO 0.00 0.23 0.57 0.83 0.00 0.00 0.00 176.54 178.17 1x52 h GLU 101 N -0.58 0.65 0.61 4.80 4.39 -1.20 0.71 114.58 123.96 1x52 h GLU 101 Ca -0.02 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 1x52 h GLU 101 Cb 0.97 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 29.48 1x52 h GLU 101 CO 0.04 0.43 -0.29 1.96 -1.16 0.00 0.00 179.01 179.99 1x52 h GLN 102 N 0.67 -0.78 -0.67 2.33 1.08 -0.97 -3.29 115.11 113.48 1x52 h GLN 102 Ca 0.44 0.05 0.11 0.00 -1.45 0.00 0.00 58.65 57.81 1x52 h GLN 102 Cb 0.72 0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 28.29 1x52 h GLN 102 CO -0.20 -0.52 0.45 1.25 -0.95 0.00 0.00 178.83 178.86 1x52 h LEU 103 N -0.85 0.41 -1.70 1.46 5.85 0.12 -1.52 115.31 119.08 1x52 h LEU 103 Ca -0.08 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.73 1x52 h LEU 103 Cb 0.62 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1x52 h LEU 103 CO 0.14 0.23 0.35 -1.28 -0.34 0.00 0.00 178.44 177.54 1x52 h SER 104 N 0.45 0.31 0.03 1.25 0.87 -0.98 0.28 113.55 115.74 1x52 h SER 104 Ca 0.32 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1x52 h SER 104 Cb 0.63 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1x52 h SER 104 CO -0.10 0.19 -0.02 1.56 -0.53 0.00 0.00 176.83 177.94 1x52 h GLN 105 N 0.35 0.00 -0.81 2.24 4.20 -1.34 -1.46 115.11 118.29 1x52 h GLN 105 Ca 0.23 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.49 1x52 h GLN 105 Cb 0.47 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 28.00 1x52 h GLN 105 CO -0.06 0.02 0.42 1.28 -0.67 0.00 0.00 178.83 179.82 1x52 n LEU 106 N -4.31 6.09 0.00 1.46 4.77 0.47 -4.90 117.00 120.57 1x52 n LEU 106 Ca -0.03 -3.82 0.00 0.00 -0.03 0.00 0.00 56.01 52.13 1x52 n LEU 106 Cb 0.11 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1x52 n LEU 106 CO 0.32 1.22 0.00 0.35 -1.33 0.00 0.00 177.39 177.96 1x52 n THR 107 N -1.09 0.00 -1.09 -5.08 -2.24 -0.55 -2.81 114.28 101.43 1x52 n THR 107 Ca 0.52 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 1x52 n THR 107 Cb 1.32 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 -2.00 0.48 3.17 3.38 0.00 0.67 -4.82 105.19 106.07 1x52 n GLY 108 Ca 0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.00 -0.61 0.36 1.61 0.11 -1.12 -0.82 120.40 117.93 1x52 s VAL 109 Ca 0.00 0.15 -0.07 0.00 -2.93 0.00 0.00 61.98 59.13 1x52 s VAL 109 Cb 0.00 -0.65 0.02 0.00 -1.53 0.00 0.00 36.38 34.22 1x52 s VAL 109 CO 0.00 0.05 0.58 0.00 -3.33 0.00 0.00 175.10 172.40 1x52 s ALA 110 N 2.57 0.23 -0.06 1.54 0.00 0.30 -0.71 121.76 125.64 1x52 s ALA 110 Ca 0.01 -1.24 -0.31 0.00 0.00 0.00 0.00 51.96 50.42 1x52 s ALA 110 Cb -0.13 0.99 0.07 0.00 0.00 0.00 0.00 23.12 24.05 1x52 s ALA 110 CO -0.12 -0.86 0.69 0.00 0.00 0.00 0.00 175.76 175.46 1x52 s ALA 111 N -2.82 -1.77 0.26 0.00 0.00 -0.12 -0.75 121.76 116.56 1x52 s ALA 111 Ca 0.25 1.36 -0.21 0.00 0.00 0.00 0.00 51.96 53.36 1x52 s ALA 111 Cb -0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 23.12 22.93 1x52 s ALA 111 CO 0.17 -0.37 0.79 0.42 0.00 0.00 0.00 175.76 176.77 1x52 s ILE 112 N -1.10 4.48 -0.06 0.00 1.01 0.54 -1.58 121.20 124.48 1x52 s ILE 112 Ca -0.10 1.41 0.05 0.00 0.00 0.00 0.00 60.65 62.01 1x52 s ILE 112 Cb -0.00 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1x52 s ILE 112 CO 0.09 0.16 -0.20 -0.76 0.00 0.00 0.00 174.94 174.24 1x52 s LEU 113 N -2.06 2.37 0.27 2.97 1.43 -0.40 -1.22 118.68 122.05 1x52 s LEU 113 Ca 0.46 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.13 1x52 s LEU 113 Cb -0.17 -1.46 0.35 0.00 0.03 0.00 0.00 46.19 44.94 1x52 s LEU 113 CO 0.21 0.27 1.94 0.03 0.23 0.00 0.00 176.35 179.04 1x52 h ARG 114 N 5.88 1.19 -4.69 1.70 3.08 -1.12 -3.44 114.38 116.97 1x52 h ARG 114 Ca -0.36 -0.08 -0.25 0.00 0.07 0.00 0.00 59.98 59.36 1x52 h ARG 114 Cb 1.17 -0.26 -0.16 0.00 0.08 0.00 0.00 29.97 30.79 1x52 h ARG 114 CO 0.49 0.80 -0.71 -0.59 -1.07 0.00 0.00 179.97 178.90 1x52 s PHE 115 N -5.97 0.89 0.05 3.04 -0.12 -1.26 -5.09 117.98 109.53 1x52 s PHE 115 Ca -0.12 -0.81 -0.31 0.00 -0.05 0.00 0.00 56.93 55.64 1x52 s PHE 115 Cb 0.18 -0.51 -0.08 0.00 -0.63 0.00 0.00 43.02 41.98 1x52 s PHE 115 CO 0.81 -0.11 1.63 -1.25 -0.05 0.00 0.00 175.22 176.25 1x52 s PRO 116 N -3.34 4.20 -0.12 1.99 0.04 -1.26 -4.71 135.00 131.80 1x52 s PRO 116 Ca 0.08 2.29 -0.29 0.00 0.04 0.00 0.00 61.00 63.11 1x52 s PRO 116 Cb 0.02 -3.63 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 1x52 s PRO 116 CO -0.03 -0.73 1.24 0.08 0.04 0.00 0.00 177.00 177.60 1x52 s VAL 117 N 2.72 4.27 0.42 -0.36 1.01 -0.93 -4.99 120.40 122.54 1x52 s VAL 117 Ca 0.73 1.56 -0.26 0.00 0.00 0.00 0.00 61.98 64.01 1x52 s VAL 117 Cb -0.38 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 1x52 s VAL 117 CO 0.32 -0.09 1.34 -2.16 0.00 0.00 0.00 175.10 174.51 1x52 s PRO 118 N 3.00 3.88 0.20 2.72 0.04 -1.26 -4.93 135.00 138.65 1x52 s PRO 118 Ca 0.55 2.24 -0.23 0.00 0.04 0.00 0.00 61.00 63.59 1x52 s PRO 118 Cb -0.23 -2.73 0.05 0.00 0.04 0.00 0.00 34.50 31.63 1x52 s PRO 118 CO 0.17 -0.59 0.84 -1.54 0.04 0.00 0.00 177.00 175.92 1x52 s SER 119 N -0.67 -0.24 0.42 6.66 1.04 -1.26 -5.10 113.70 114.56 1x52 s SER 119 Ca 0.58 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.59 1x52 s SER 119 Cb -0.40 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1x52 s SER 119 CO 0.51 -1.08 0.61 -0.83 0.98 0.00 0.00 173.24 173.43 1x52 s GLY 120 N -2.90 1.64 1.09 7.32 0.00 -1.26 -5.11 107.32 108.09 1x52 s GLY 120 Ca 0.11 -1.28 -0.12 0.00 0.00 0.00 0.00 44.72 43.43 1x52 s GLY 120 CO 0.03 -1.12 1.06 2.56 0.00 0.00 0.00 173.10 175.63 1x52 s PRO 121 N -4.43 -0.31 -0.33 2.90 0.04 -1.26 -5.01 135.00 126.60 1x52 s PRO 121 Ca 0.49 1.03 0.17 0.00 0.04 0.00 0.00 61.00 62.73 1x52 s PRO 121 Cb -0.10 -1.61 0.45 0.00 0.04 0.00 0.00 34.50 33.28 1x52 s PRO 121 CO 0.35 -3.37 0.96 0.43 0.04 0.00 0.00 177.00 175.41 1x52 n SER 122 N -4.69 1.24 0.00 6.66 7.64 -1.26 -4.95 113.62 118.25 1x52 n SER 122 Ca 0.06 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.22 1x52 n SER 122 Cb 0.54 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1x52 n SER 122 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x52 n SER 123 N -0.07 0.00 0.00 6.43 2.88 -1.26 -5.30 113.62 116.30 1x52 n SER 123 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1x52 n SER 123 Cb 0.82 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 1x52 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42