#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 -3.63 1.61 7.64 -1.26 -4.66 113.62 113.32 1x52 n SER 2 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 1x52 n SER 2 Cb 0.00 -0.36 0.02 0.00 -1.01 0.00 0.00 64.21 62.86 1x52 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x52 n SER 3 N 0.02 -5.56 -0.00 6.43 7.64 -1.26 -4.53 113.62 116.36 1x52 n SER 3 Ca 0.00 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1x52 n SER 3 Cb 0.00 -3.05 0.00 0.00 -1.01 0.00 0.00 64.21 60.15 1x52 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x52 n GLY 4 N -1.73 -1.64 1.47 0.23 0.00 -1.26 -5.02 105.19 97.24 1x52 n GLY 4 Ca -0.15 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 0.23 -0.77 -3.43 1.61 7.64 -1.26 -5.14 113.62 112.49 1x52 n SER 5 Ca 0.00 0.20 -0.12 0.00 1.01 0.00 0.00 58.87 59.96 1x52 n SER 5 Cb 0.00 1.02 -0.02 0.00 -1.01 0.00 0.00 64.21 64.19 1x52 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x52 s SER 6 N -1.24 -0.56 -0.23 6.43 0.15 -1.26 -5.20 113.70 111.79 1x52 s SER 6 Ca 0.00 0.01 -0.30 0.00 0.70 0.00 0.00 55.95 56.36 1x52 s SER 6 Cb 0.00 0.59 0.17 0.00 -1.71 0.00 0.00 66.02 65.07 1x52 s SER 6 CO 0.00 -0.95 1.23 -0.83 1.20 0.00 0.00 173.24 173.89 1x52 s GLY 7 N -2.70 -0.07 0.03 9.45 0.00 -1.26 -5.18 107.32 107.59 1x52 s GLY 7 Ca 0.01 2.41 -0.05 0.00 0.00 0.00 0.00 44.72 47.09 1x52 s GLY 7 CO -0.12 1.00 0.09 -1.08 0.00 0.00 0.00 173.10 172.99 1x52 s THR 8 N -1.25 0.12 0.06 0.90 -1.32 -1.26 -5.17 115.64 107.72 1x52 s THR 8 Ca 0.06 -1.03 -0.10 0.00 -1.21 0.00 0.00 61.69 59.41 1x52 s THR 8 Cb -0.01 -0.78 0.01 0.00 -1.51 0.00 0.00 72.50 70.21 1x52 s THR 8 CO -0.05 -0.57 0.22 0.68 -2.21 0.00 0.00 174.62 172.70 1x52 s VAL 9 N -2.35 0.11 0.29 5.08 -7.23 -1.26 -5.19 120.40 109.85 1x52 s VAL 9 Ca -0.07 -0.92 -0.07 0.00 -1.81 0.00 0.00 61.98 59.10 1x52 s VAL 9 Cb -0.03 -1.05 -0.00 0.00 0.56 0.00 0.00 36.38 35.86 1x52 s VAL 9 CO -0.03 -0.51 0.45 0.00 -0.31 0.00 0.00 175.10 174.70 1x52 s ALA 10 N -2.99 0.31 -0.28 1.32 0.00 -1.26 -5.15 121.76 113.70 1x52 s ALA 10 Ca -0.02 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.72 1x52 s ALA 10 Cb 0.01 1.13 0.18 0.00 0.00 0.00 0.00 23.12 24.43 1x52 s ALA 10 CO -0.06 -0.80 0.52 -1.12 0.00 0.00 0.00 175.76 174.29 1x52 s SER 11 N -3.12 -0.81 0.00 0.00 0.01 -1.26 -5.14 113.70 103.38 1x52 s SER 11 Ca 0.27 0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.92 1x52 s SER 11 Cb 0.00 1.74 0.00 0.00 0.21 0.00 0.00 66.02 67.97 1x52 s SER 11 CO 0.14 -0.29 0.00 0.54 0.41 0.00 0.00 173.24 174.04 1x52 n ARG 12 N 5.40 3.52 -1.52 12.44 3.00 -1.26 -5.02 116.66 133.22 1x52 n ARG 12 Ca 0.00 0.00 -0.51 0.00 -0.01 0.00 0.00 57.85 57.33 1x52 n ARG 12 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.91 1x52 n ARG 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1x52 n LEU 13 N 0.00 2.42 -4.68 0.55 7.99 -1.26 -4.95 117.00 117.07 1x52 n LEU 13 Ca 0.00 0.57 -0.35 0.00 -0.01 0.00 0.00 56.01 56.22 1x52 n LEU 13 Cb 0.00 -1.28 -0.09 0.00 -0.11 0.00 0.00 43.42 41.94 1x52 n LEU 13 CO 0.00 -0.59 -0.31 -0.55 -1.51 0.00 0.00 177.39 174.43 1x52 s SER 14 N 6.43 5.21 0.73 -1.43 0.15 -1.26 -5.12 113.70 118.42 1x52 s SER 14 Ca 1.05 0.12 -0.15 0.00 0.70 0.00 0.00 55.95 57.68 1x52 s SER 14 Cb -0.83 -1.45 0.04 0.00 -1.71 0.00 0.00 66.02 62.07 1x52 s SER 14 CO 0.51 0.37 1.21 -0.62 1.20 0.00 0.00 173.24 175.90 1x52 s ASP 15 N -0.97 4.15 0.20 5.45 -1.08 -1.26 -4.82 116.67 118.34 1x52 s ASP 15 Ca 0.14 2.37 -0.10 0.00 -0.52 0.00 0.00 52.55 54.44 1x52 s ASP 15 Cb -0.11 -2.59 0.26 0.00 -1.46 0.00 0.00 42.92 39.02 1x52 s ASP 15 CO 0.03 -2.29 1.73 0.74 0.52 0.00 0.00 175.17 175.90 1x52 h THR 16 N -0.32 0.72 0.09 1.71 2.02 -1.99 0.29 112.91 115.43 1x52 h THR 16 Ca -0.48 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 1x52 h THR 16 Cb 1.30 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1x52 h THR 16 CO 0.49 0.06 -0.04 0.50 0.37 0.00 0.00 175.52 176.90 1x52 h LYS 17 N 0.33 -0.12 -0.88 6.66 3.11 -2.01 -2.07 116.57 121.59 1x52 h LYS 17 Ca 0.30 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 58.21 1x52 h LYS 17 Cb 0.40 0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.60 1x52 h LYS 17 CO -0.34 0.02 0.57 0.00 -2.81 0.00 0.00 179.45 176.90 1x52 h ALA 18 N 0.66 1.53 0.61 5.00 0.00 -1.88 -2.96 119.26 122.22 1x52 h ALA 18 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1x52 h ALA 18 Cb 0.20 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1x52 h ALA 18 CO 0.02 0.34 -0.29 0.00 0.00 0.00 0.00 179.25 179.32 1x52 h ALA 19 N 1.52 -0.82 -0.53 0.00 0.00 0.27 0.18 119.26 119.88 1x52 h ALA 19 Ca 0.38 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1x52 h ALA 19 Cb 0.19 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1x52 h ALA 19 CO -0.14 -0.91 0.19 0.78 0.00 0.00 0.00 179.25 179.18 1x52 h GLY 20 N -0.92 0.83 0.52 0.00 0.00 -1.48 0.17 103.07 102.20 1x52 h GLY 20 Ca -0.08 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1x52 h GLY 20 CO 0.14 0.40 -0.02 0.83 0.00 0.00 0.00 176.54 177.89 1x52 h GLU 21 N 0.76 -0.06 -0.85 4.80 3.07 -1.35 -1.47 114.58 119.49 1x52 h GLU 21 Ca 0.18 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.07 1x52 h GLU 21 Cb 0.18 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.05 1x52 h GLU 21 CO -0.01 0.40 0.55 0.28 -1.40 0.00 0.00 179.01 178.82 1x52 h VAL 22 N -0.54 1.16 -0.62 3.13 2.07 -0.52 -2.13 116.25 118.79 1x52 h VAL 22 Ca -0.01 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1x52 h VAL 22 Cb 0.48 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 1x52 h VAL 22 CO 0.01 0.20 0.39 0.50 0.02 0.00 0.00 177.57 178.69 1x52 h LYS 23 N 1.08 0.76 -0.87 1.57 3.11 -0.52 0.67 116.57 122.37 1x52 h LYS 23 Ca 0.33 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 58.12 1x52 h LYS 23 Cb -0.03 -0.17 -0.04 0.00 -1.00 0.00 0.00 32.23 30.99 1x52 h LYS 23 CO -0.10 0.50 0.53 0.00 -2.81 0.00 0.00 179.45 177.57 1x52 h ALA 24 N 1.26 1.30 -0.10 5.00 0.00 -0.73 -0.47 119.26 125.52 1x52 h ALA 24 Ca 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1x52 h ALA 24 Cb -0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 1x52 h ALA 24 CO -0.09 0.61 0.03 1.25 0.00 0.00 0.00 179.25 181.05 1x52 h LEU 25 N 1.19 0.14 -0.27 0.00 5.85 -0.65 -1.62 115.31 119.95 1x52 h LEU 25 Ca 0.31 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1x52 h LEU 25 Cb -0.06 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 1x52 h LEU 25 CO -0.06 0.32 -0.13 -0.78 -0.34 0.00 0.00 178.44 177.45 1x52 h ASP 26 N -0.03 -0.42 -0.19 1.25 1.82 -0.56 -0.57 116.42 117.71 1x52 h ASP 26 Ca 0.03 0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.74 1x52 h ASP 26 Cb 0.22 0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 1x52 h ASP 26 CO -0.00 -0.16 -0.01 -0.78 -1.61 0.00 0.00 179.24 176.68 1x52 h ASP 27 N -0.09 0.33 0.21 2.28 3.58 -1.10 -1.80 116.42 119.83 1x52 h ASP 27 Ca 0.14 -0.32 0.01 0.00 0.42 0.00 0.00 57.03 57.29 1x52 h ASP 27 Cb 0.30 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 1x52 h ASP 27 CO -0.33 0.57 -0.35 0.15 -2.88 0.00 0.00 179.24 176.40 1x52 h PHE 28 N 0.09 -0.94 -0.06 0.28 3.04 -1.12 -2.95 116.94 115.27 1x52 h PHE 28 Ca 0.05 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 1x52 h PHE 28 Cb 0.40 0.39 -0.00 0.00 2.56 0.00 0.00 35.95 39.29 1x52 h PHE 28 CO 0.04 -0.47 -0.03 1.88 -2.02 0.00 0.00 178.31 177.71 1x52 h TYR 29 N -0.63 0.09 0.06 0.41 0.05 -0.86 -0.33 116.97 115.75 1x52 h TYR 29 Ca 0.01 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.80 1x52 h TYR 29 Cb 0.62 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.30 1x52 h TYR 29 CO -0.26 0.13 -0.39 -0.22 -1.05 0.00 0.00 178.16 176.36 1x52 h LYS 30 N 0.09 -0.52 0.00 4.88 3.64 -1.17 -2.68 116.57 120.82 1x52 h LYS 30 Ca 0.02 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1x52 h LYS 30 Cb 0.12 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1x52 h LYS 30 CO 0.01 -0.34 -0.13 0.52 -2.27 0.00 0.00 179.45 177.23 1x52 h MET 31 N -0.54 0.00 -0.46 1.90 0.00 -1.19 -1.36 114.93 113.29 1x52 h MET 31 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 59.70 59.83 1x52 h MET 31 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 31.60 32.13 1x52 h MET 31 CO -0.23 0.13 0.34 1.25 0.00 0.00 0.00 176.91 178.40 1x52 h LEU 32 N 0.00 0.00 0.00 1.22 5.85 -0.74 0.19 115.31 121.83 1x52 h LEU 32 Ca -0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 1x52 h LEU 32 Cb 0.23 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1x52 h LEU 32 CO 0.02 0.00 -1.57 0.00 -0.34 0.00 0.00 178.44 176.55 1x52 n GLN 33 N -4.33 0.57 -0.03 1.25 1.13 -0.87 -4.37 117.38 110.72 1x52 n GLN 33 Ca 0.08 0.50 -0.14 0.00 -1.94 0.00 0.00 57.00 55.50 1x52 n GLN 33 Cb 0.54 -1.69 -0.10 0.00 0.11 0.00 0.00 30.24 29.10 1x52 n GLN 33 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1x52 h HIS 34 N -1.00 0.21 -1.84 1.08 3.86 -0.66 -3.42 115.15 113.37 1x52 h HIS 34 Ca -0.43 -0.09 -0.41 0.00 -1.16 0.00 0.00 60.37 58.27 1x52 h HIS 34 Cb 1.38 -0.03 -0.30 0.00 1.06 0.00 0.00 27.41 29.52 1x52 h HIS 34 CO 0.05 0.79 -0.78 -1.83 0.86 0.00 0.00 177.93 177.02 1x52 s GLU 35 N -3.58 0.94 0.12 2.45 -1.05 0.63 -5.02 118.70 113.19 1x52 s GLU 35 Ca -0.16 -1.62 0.15 0.00 -0.15 0.00 0.00 54.97 53.19 1x52 s GLU 35 Cb 0.02 -0.86 0.67 0.00 -0.44 0.00 0.00 34.13 33.51 1x52 s GLU 35 CO 0.72 -1.35 1.45 -0.35 0.95 0.00 0.00 175.26 176.69 1x52 n PRO 36 N 3.02 0.08 0.34 -4.83 -0.04 -0.86 -1.18 135.00 131.52 1x52 n PRO 36 Ca 0.24 0.42 0.18 0.00 -0.04 0.00 0.00 63.50 64.30 1x52 n PRO 36 Cb 0.50 -1.68 0.94 0.00 -0.04 0.00 0.00 33.50 33.23 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 -0.09 3.54 5.19 -1.92 -2.12 116.42 121.02 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 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 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 -2.95 1.03 -3.84 3.56 1.74 -0.32 -2.19 116.66 113.68 1x52 n ARG 38 Ca -0.02 -1.33 -0.29 0.00 -0.77 0.00 0.00 57.85 55.44 1x52 n ARG 38 Cb 0.29 -1.20 -0.13 0.00 -1.02 0.00 0.00 32.46 30.39 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 -0.87 2.90 -0.08 7.54 0.00 -0.80 -0.99 121.76 129.46 1x52 s ALA 39 Ca 0.14 -3.08 -0.15 0.00 0.00 0.00 0.00 51.96 48.87 1x52 s ALA 39 Cb 0.09 -2.05 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 1x52 s ALA 39 CO 0.13 -2.04 0.39 -0.06 0.00 0.00 0.00 175.76 174.18 1x52 s PHE 40 N -0.20 3.59 0.13 0.00 0.40 -0.96 -4.91 117.98 116.02 1x52 s PHE 40 Ca 0.19 0.85 -0.02 0.00 -0.60 0.00 0.00 56.93 57.34 1x52 s PHE 40 Cb -0.22 -2.37 -0.04 0.00 0.51 0.00 0.00 43.02 40.90 1x52 s PHE 40 CO -0.02 0.39 0.07 1.52 0.70 0.00 0.00 175.22 177.88 1x52 s TYR 41 N -0.15 0.78 0.01 0.36 1.13 -1.26 -0.93 117.35 117.30 1x52 s TYR 41 Ca 0.22 -1.17 0.00 0.00 -1.41 0.00 0.00 57.07 54.71 1x52 s TYR 41 Cb -0.15 -0.43 0.00 0.00 -1.10 0.00 0.00 41.96 40.28 1x52 s TYR 41 CO 0.10 -0.52 0.00 0.41 -2.51 0.00 0.00 175.55 173.02 1x52 n GLY 42 N -0.08 -3.51 0.31 5.49 0.00 -0.64 -4.28 105.19 102.47 1x52 n GLY 42 Ca -0.06 -0.88 0.05 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.26 -0.31 -0.08 0.99 7.94 -1.26 -0.96 117.00 123.06 1x52 n LEU 43 Ca 0.00 1.47 -0.07 0.00 -1.11 0.00 0.00 56.01 56.31 1x52 n LEU 43 Cb 0.00 -0.44 -0.00 0.00 0.53 0.00 0.00 43.42 43.50 1x52 n LEU 43 CO 0.00 -1.41 0.73 0.50 -1.11 0.00 0.00 177.39 176.10 1x52 h LYS 44 N 0.00 -0.15 0.03 1.96 3.64 -1.98 0.30 116.57 120.38 1x52 h LYS 44 Ca 0.41 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1x52 h LYS 44 Cb 0.62 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1x52 h LYS 44 CO -0.88 -0.10 -0.02 1.96 -2.27 0.00 0.00 179.45 178.15 1x52 h GLN 45 N -0.15 -0.04 -0.30 1.90 4.20 -1.23 -2.85 115.11 116.64 1x52 h GLN 45 Ca 0.16 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.91 1x52 h GLN 45 Cb 0.40 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1x52 h GLN 45 CO -0.40 0.18 0.20 0.28 -0.67 0.00 0.00 178.83 178.42 1x52 h VAL 46 N -0.25 0.99 0.00 -0.54 2.07 -1.29 0.11 116.25 117.34 1x52 h VAL 46 Ca -0.00 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1x52 h VAL 46 Cb 0.24 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1x52 h VAL 46 CO 0.01 0.05 0.00 -0.33 0.02 0.00 0.00 177.57 177.31 1x52 h GLU 47 N 0.25 0.00 0.09 1.57 5.08 -0.71 0.42 114.58 121.28 1x52 h GLU 47 Ca 0.13 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.26 1x52 h GLU 47 Cb 0.19 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.46 1x52 h GLU 47 CO -0.02 0.00 -0.95 -0.22 -1.00 0.00 0.00 179.01 176.82 1x52 h LYS 48 N 0.00 0.48 -0.12 2.33 1.63 -0.66 -3.35 116.57 116.89 1x52 h LYS 48 Ca 0.00 -0.64 -0.13 0.00 -0.85 0.00 0.00 60.65 59.03 1x52 h LYS 48 Cb 0.39 0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 1x52 h LYS 48 CO 0.00 1.27 -0.51 0.00 -3.45 0.00 0.00 179.45 176.75 1x52 h ALA 49 N 0.25 0.91 -0.60 5.00 0.00 -0.64 -2.80 119.26 121.38 1x52 h ALA 49 Ca -0.14 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1x52 h ALA 49 Cb 1.67 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1x52 h ALA 49 CO 0.18 0.67 0.38 -0.97 0.00 0.00 0.00 179.25 179.51 1x52 h ASN 50 N 0.25 0.71 0.35 0.00 -0.73 -1.13 -1.56 115.58 113.47 1x52 h ASN 50 Ca 0.01 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.14 1x52 h ASN 50 Cb 0.99 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.40 1x52 h ASN 50 CO 0.08 0.54 0.00 -0.62 -0.37 0.00 0.00 177.43 177.06 1x52 n GLU 51 N -4.64 0.04 0.00 6.67 1.02 -1.12 -1.24 120.64 121.38 1x52 n GLU 51 Ca 0.04 0.38 0.12 0.00 -0.02 0.00 0.00 57.16 57.69 1x52 n GLU 51 Cb 0.04 -1.60 0.20 0.00 -0.02 0.00 0.00 31.44 30.05 1x52 n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x52 n ALA 52 N -1.57 3.38 -1.06 0.62 0.00 -0.63 -4.96 120.51 116.29 1x52 n ALA 52 Ca 0.02 -0.51 -0.07 0.00 0.00 0.00 0.00 53.44 52.88 1x52 n ALA 52 Cb 0.12 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.49 -1.73 0.00 0.00 2.81 -0.37 -4.86 117.12 112.48 1x52 n MET 53 Ca 0.10 0.63 0.12 0.00 -1.81 0.00 0.00 57.70 56.74 1x52 n MET 53 Cb 0.39 -4.78 0.34 0.00 -0.71 0.00 0.00 33.22 28.46 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 0.81 3.27 -2.23 3.04 0.00 -0.98 -4.81 120.51 119.60 1x52 n ALA 54 Ca -0.07 -0.30 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 1x52 n ALA 54 Cb 0.45 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.96 3.77 -0.02 0.00 1.01 -1.26 -0.52 121.20 121.22 1x52 s ILE 55 Ca 0.13 0.80 -0.18 0.00 0.00 0.00 0.00 60.65 61.39 1x52 s ILE 55 Cb 0.18 -4.00 -0.10 0.00 0.01 0.00 0.00 42.46 38.55 1x52 s ILE 55 CO 0.65 -0.61 0.75 -0.78 0.00 0.00 0.00 174.94 174.96 1x52 h ASP 56 N 11.28 -0.55 -4.01 3.58 3.58 -1.57 -3.39 116.42 125.35 1x52 h ASP 56 Ca -0.30 0.02 -0.18 0.00 0.42 0.00 0.00 57.03 56.99 1x52 h ASP 56 Cb 1.13 0.14 -0.25 0.00 1.72 0.00 0.00 39.33 42.07 1x52 h ASP 56 CO 1.06 -0.14 -0.51 -0.89 -2.88 0.00 0.00 179.24 175.88 1x52 s THR 57 N -3.66 0.01 -0.12 2.25 2.01 -1.23 -1.03 115.64 113.88 1x52 s THR 57 Ca -0.09 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.77 1x52 s THR 57 Cb 0.01 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.21 1x52 s THR 57 CO 0.28 -0.07 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.87 1x52 s LEU 58 N -0.18 3.17 -0.20 4.42 2.96 -0.32 -0.60 118.68 127.94 1x52 s LEU 58 Ca -0.03 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 1x52 s LEU 58 Cb -0.02 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1x52 s LEU 58 CO 0.00 0.25 -0.12 -1.48 -1.32 0.00 0.00 176.35 173.68 1x52 s LEU 59 N -0.11 2.54 0.00 -0.68 2.34 -0.06 -0.24 118.68 122.47 1x52 s LEU 59 Ca 0.02 -0.57 0.00 0.00 0.06 0.00 0.00 54.13 53.64 1x52 s LEU 59 Cb -0.13 -1.60 -0.00 0.00 -0.56 0.00 0.00 46.19 43.89 1x52 s LEU 59 CO 0.03 -0.02 -0.02 -0.51 -1.06 0.00 0.00 176.35 174.77 1x52 s ILE 60 N 1.37 0.13 0.43 1.48 2.07 -1.01 -1.21 121.20 124.46 1x52 s ILE 60 Ca 0.05 -0.17 -0.25 0.00 -1.41 0.00 0.00 60.65 58.87 1x52 s ILE 60 Cb -0.14 -0.14 -0.08 0.00 0.13 0.00 0.00 42.46 42.23 1x52 s ILE 60 CO -0.08 -0.03 1.22 -0.55 -1.91 0.00 0.00 174.94 173.59 1x52 s SER 61 N -0.21 6.25 0.30 4.50 0.15 -0.60 -1.66 113.70 122.44 1x52 s SER 61 Ca -0.01 2.46 -0.02 0.00 0.70 0.00 0.00 55.95 59.08 1x52 s SER 61 Cb -0.02 -2.62 0.44 0.00 -1.71 0.00 0.00 66.02 62.12 1x52 s SER 61 CO -0.00 -0.87 1.96 -2.24 1.20 0.00 0.00 173.24 173.28 1x52 h ASP 62 N 2.39 0.96 0.00 5.45 2.03 -1.23 -1.59 116.42 124.43 1x52 h ASP 62 Ca -0.49 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 1x52 h ASP 62 Cb 1.25 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 39.51 1x52 h ASP 62 CO 0.61 0.68 0.01 1.05 -1.03 0.00 0.00 179.24 180.57 1x52 h GLU 63 N 1.13 0.00 0.07 4.15 4.11 -1.91 0.28 114.58 122.40 1x52 h GLU 63 Ca 0.32 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.38 1x52 h GLU 63 Cb -0.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1x52 h GLU 63 CO -0.08 0.00 -2.20 1.28 0.07 0.00 0.00 179.01 178.08 1x52 n LEU 64 N -2.52 2.76 0.31 3.06 4.77 -0.65 -2.60 117.00 122.12 1x52 n LEU 64 Ca -0.02 0.07 0.18 0.00 -0.03 0.00 0.00 56.01 56.21 1x52 n LEU 64 Cb 0.06 -1.02 0.96 0.00 -2.33 0.00 0.00 43.42 41.08 1x52 n LEU 64 CO 0.13 0.87 1.11 0.15 -1.33 0.00 0.00 177.39 178.32 1x52 h PHE 65 N -0.00 0.00 0.00 -1.77 3.57 -0.71 -2.42 116.94 115.61 1x52 h PHE 65 Ca -0.49 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.00 1x52 h PHE 65 Cb 1.95 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.69 1x52 h PHE 65 CO 0.05 0.00 -0.12 0.54 -2.23 0.00 0.00 178.31 176.56 1x52 n ARG 66 N -2.87 1.14 -1.47 1.11 1.74 0.89 -4.80 116.66 112.40 1x52 n ARG 66 Ca -0.02 -2.45 -0.36 0.00 -0.77 0.00 0.00 57.85 54.24 1x52 n ARG 66 Cb 0.20 -1.37 0.08 0.00 -1.02 0.00 0.00 32.46 30.34 1x52 n ARG 66 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1x52 n HIS 67 N -1.22 0.91 -0.07 -1.55 -0.00 -0.91 -4.92 115.22 107.46 1x52 n HIS 67 Ca 0.14 0.41 -0.11 0.00 0.46 0.00 0.00 57.72 58.62 1x52 n HIS 67 Cb 0.66 -2.12 -0.04 0.00 -0.12 0.00 0.00 29.99 28.36 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 0.01 0.33 -6.23 1.57 -0.00 -1.92 -3.43 115.11 105.45 1x52 h GLN 68 Ca -0.48 -0.07 -0.56 0.00 -0.00 0.00 0.00 58.65 57.54 1x52 h GLN 68 Cb 1.34 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.48 28.74 1x52 h GLN 68 CO 0.49 0.41 0.79 0.34 -0.00 0.00 0.00 178.83 180.86 1x52 s ASP 69 N -5.67 7.02 0.45 0.06 -1.08 -1.26 -4.92 116.67 111.27 1x52 s ASP 69 Ca -0.14 1.73 0.11 0.00 -0.52 0.00 0.00 52.55 53.73 1x52 s ASP 69 Cb 0.07 -2.55 1.00 0.00 -1.46 0.00 0.00 42.92 39.99 1x52 s ASP 69 CO 0.72 -0.66 2.07 0.58 0.52 0.00 0.00 175.17 178.39 1x52 h VAL 70 N 5.24 1.08 0.44 1.11 2.07 -1.98 0.14 116.25 124.36 1x52 h VAL 70 Ca -0.30 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1x52 h VAL 70 Cb 1.13 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1x52 h VAL 70 CO 0.92 0.09 -0.21 0.00 0.02 0.00 0.00 177.57 178.39 1x52 h ALA 71 N 1.82 -0.60 -0.21 1.67 0.00 -1.96 0.23 119.26 120.22 1x52 h ALA 71 Ca 0.07 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1x52 h ALA 71 Cb 0.05 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1x52 h ALA 71 CO -0.01 -0.61 -0.18 1.15 0.00 0.00 0.00 179.25 179.60 1x52 h THR 72 N -1.04 0.52 -0.48 0.00 2.02 -1.94 -1.86 112.91 110.13 1x52 h THR 72 Ca -0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.16 1x52 h THR 72 Cb 0.55 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1x52 h THR 72 CO 0.10 0.00 0.23 -0.09 0.37 0.00 0.00 175.52 176.13 1x52 h ARG 73 N -0.19 0.43 -0.84 6.66 2.43 -0.76 -2.77 114.38 119.34 1x52 h ARG 73 Ca 0.12 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.41 1x52 h ARG 73 Cb 0.37 -0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 29.74 1x52 h ARG 73 CO -0.32 0.29 0.44 0.77 -1.51 0.00 0.00 179.97 179.63 1x52 h SER 74 N 0.44 0.55 0.14 -3.80 0.02 0.28 -0.86 113.55 110.32 1x52 h SER 74 Ca 0.21 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1x52 h SER 74 Cb 0.14 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1x52 h SER 74 CO -0.16 0.25 -0.15 0.03 -1.14 0.00 0.00 176.83 175.65 1x52 h ARG 75 N 0.65 -0.31 0.31 3.45 3.08 -1.14 -0.25 114.38 120.17 1x52 h ARG 75 Ca 0.45 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.51 1x52 h ARG 75 Cb 0.60 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1x52 h ARG 75 CO -0.34 -0.21 -0.15 1.88 -1.07 0.00 0.00 179.97 180.08 1x52 h TYR 76 N -0.32 -0.39 -0.63 3.04 0.05 -1.28 -0.11 116.97 117.33 1x52 h TYR 76 Ca 0.01 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1x52 h TYR 76 Cb 0.31 0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.15 1x52 h TYR 76 CO -0.14 -0.23 0.35 -0.39 -1.05 0.00 0.00 178.16 176.70 1x52 h VAL 77 N -0.44 1.19 0.21 -2.88 -1.51 -1.02 0.99 116.25 112.79 1x52 h VAL 77 Ca -0.04 -0.48 -0.01 0.00 -1.23 0.00 0.00 66.70 64.94 1x52 h VAL 77 Cb 0.34 0.34 0.00 0.00 -2.13 0.00 0.00 31.29 29.84 1x52 h VAL 77 CO 0.07 0.21 -0.10 0.03 -1.23 0.00 0.00 177.57 176.55 1x52 h ARG 78 N 0.88 -0.27 -0.67 5.19 3.08 -0.94 -1.33 114.38 120.33 1x52 h ARG 78 Ca 0.22 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 1x52 h ARG 78 Cb 0.02 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1x52 h ARG 78 CO -0.04 0.06 0.38 1.25 -1.07 0.00 0.00 179.97 180.55 1x52 h LEU 79 N -0.63 0.81 -0.07 3.04 5.85 -0.68 0.18 115.31 123.81 1x52 h LEU 79 Ca -0.03 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1x52 h LEU 79 Cb 0.45 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1x52 h LEU 79 CO 0.05 0.64 -0.23 0.58 -0.34 0.00 0.00 178.44 179.14 1x52 h VAL 80 N 0.92 0.45 -0.31 1.05 2.07 -0.80 -2.29 116.25 117.34 1x52 h VAL 80 Ca 0.24 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.78 1x52 h VAL 80 Cb 0.00 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1x52 h VAL 80 CO -0.04 0.00 0.16 0.44 0.02 0.00 0.00 177.57 178.15 1x52 h ASP 81 N -0.32 0.25 -0.15 0.57 5.19 0.04 -3.08 116.42 118.92 1x52 h ASP 81 Ca 0.08 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 1x52 h ASP 81 Cb 0.44 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1x52 h ASP 81 CO -0.26 0.18 0.01 0.28 -3.12 0.00 0.00 179.24 176.33 1x52 h SER 82 N 0.34 0.35 -0.45 6.45 0.02 -0.58 -1.24 113.55 118.43 1x52 h SER 82 Ca 0.12 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1x52 h SER 82 Cb 0.03 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1x52 h SER 82 CO -0.08 0.41 0.20 0.58 -1.14 0.00 0.00 176.83 176.80 1x52 h VAL 83 N 0.37 1.18 -0.26 2.27 2.07 -1.32 -2.18 116.25 118.39 1x52 h VAL 83 Ca 0.09 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 1x52 h VAL 83 Cb 0.24 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1x52 h VAL 83 CO 0.01 0.22 -0.23 0.11 0.02 0.00 0.00 177.57 177.70 1x52 h LYS 84 N 0.70 0.48 -0.35 1.57 1.57 -1.27 -0.41 116.57 118.85 1x52 h LYS 84 Ca 0.17 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1x52 h LYS 84 Cb 0.13 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1x52 h LYS 84 CO -0.02 0.68 -0.02 0.93 -0.57 0.00 0.00 179.45 180.45 1x52 h GLU 85 N 0.43 0.55 0.00 3.15 4.39 -1.23 -1.14 114.58 120.73 1x52 h GLU 85 Ca 0.07 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1x52 h GLU 85 Cb 0.64 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1x52 h GLU 85 CO 0.05 0.59 0.00 0.09 -1.16 0.00 0.00 179.01 178.58 1x52 n ASN 86 N -4.26 0.00 -1.32 1.42 4.13 -0.85 -4.91 115.26 109.48 1x52 n ASN 86 Ca 0.01 -1.25 -0.14 0.00 1.68 0.00 0.00 54.58 54.88 1x52 n ASN 86 Cb 0.26 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.47 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 -0.85 -0.31 -2.19 5.41 0.00 -0.43 -5.00 120.51 117.14 1x52 n ALA 87 Ca 0.16 0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.55 1x52 n ALA 87 Cb 0.07 -1.60 0.02 0.00 0.00 0.00 0.00 19.45 17.95 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 -2.63 1.64 0.33 0.00 0.00 -0.22 -4.99 107.32 101.45 1x52 s GLY 88 Ca 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 44.72 43.61 1x52 s GLY 88 CO 0.00 -0.86 0.57 -1.59 0.00 0.00 0.00 173.10 171.22 1x52 s THR 89 N -2.68 5.04 0.07 0.90 2.01 -0.20 -4.01 115.64 116.78 1x52 s THR 89 Ca 0.52 -0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.47 1x52 s THR 89 Cb -0.10 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1x52 s THR 89 CO 0.39 -0.45 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.04 1x52 s VAL 90 N -2.23 3.16 -0.08 3.82 1.01 -1.26 -1.17 120.40 123.65 1x52 s VAL 90 Ca 0.43 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1x52 s VAL 90 Cb -0.10 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.88 1x52 s VAL 90 CO 0.34 0.22 -0.04 -0.13 0.00 0.00 0.00 175.10 175.48 1x52 s ARG 91 N -1.86 1.01 -0.44 2.72 1.81 0.66 -4.86 118.95 117.99 1x52 s ARG 91 Ca 0.18 -0.07 -0.16 0.00 -1.72 0.00 0.00 55.73 53.97 1x52 s ARG 91 Cb -0.11 -1.20 0.04 0.00 -0.45 0.00 0.00 34.95 33.23 1x52 s ARG 91 CO 0.10 -0.25 0.37 0.42 -0.68 0.00 0.00 175.30 175.26 1x52 s ILE 92 N 1.71 5.20 0.37 1.52 -1.09 -1.26 -2.40 121.20 125.25 1x52 s ILE 92 Ca 0.02 -0.74 -0.07 0.00 -2.23 0.00 0.00 60.65 57.64 1x52 s ILE 92 Cb -0.13 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 1x52 s ILE 92 CO -0.05 -0.45 0.68 -0.36 -1.23 0.00 0.00 174.94 173.53 1x52 s PHE 93 N 1.79 3.49 -0.14 3.97 0.40 -0.66 -4.90 117.98 121.93 1x52 s PHE 93 Ca 0.06 0.80 -0.06 0.00 -0.60 0.00 0.00 56.93 57.14 1x52 s PHE 93 Cb -0.21 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.03 1x52 s PHE 93 CO 0.10 -0.02 0.08 -1.12 0.70 0.00 0.00 175.22 174.95 1x52 s SER 94 N -3.41 5.81 0.31 1.36 0.01 -1.26 -0.65 113.70 115.87 1x52 s SER 94 Ca 0.47 0.24 0.05 0.00 1.31 0.00 0.00 55.95 58.02 1x52 s SER 94 Cb -0.10 -1.87 0.71 0.00 0.21 0.00 0.00 66.02 64.96 1x52 s SER 94 CO 0.34 0.31 1.81 -1.28 0.41 0.00 0.00 173.24 174.83 1x52 h SER 95 N 5.69 0.80 0.77 2.44 0.87 -1.96 -2.50 113.55 119.67 1x52 h SER 95 Ca -0.47 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.13 1x52 h SER 95 Cb 1.19 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1x52 h SER 95 CO 0.62 0.35 -0.17 -0.07 -0.53 0.00 0.00 176.83 177.03 1x52 h LEU 96 N 0.82 0.00 -9.99 2.23 3.38 -2.00 -3.43 115.31 106.32 1x52 h LEU 96 Ca 0.54 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 58.01 1x52 h LEU 96 Cb 0.77 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1x52 h LEU 96 CO -0.32 0.17 0.10 -2.28 0.09 0.00 0.00 178.44 176.20 1x52 s HIS 97 N -3.80 3.42 0.16 1.13 2.46 -0.94 -4.97 115.29 112.76 1x52 s HIS 97 Ca -0.00 1.25 0.33 0.00 0.47 0.00 0.00 55.06 57.10 1x52 s HIS 97 Cb 0.11 -2.55 1.69 0.00 -0.13 0.00 0.00 32.58 31.70 1x52 s HIS 97 CO 0.61 0.14 2.00 -0.24 -2.47 0.00 0.00 174.74 174.77 1x52 h VAL 98 N 2.11 0.00 -0.65 0.89 3.04 -1.86 -0.03 116.25 119.75 1x52 h VAL 98 Ca -0.48 -0.09 0.08 0.00 -1.01 0.00 0.00 66.70 65.19 1x52 h VAL 98 Cb 1.18 0.88 -0.04 0.00 -2.01 0.00 0.00 31.29 31.30 1x52 h VAL 98 CO 0.65 0.00 0.43 0.77 -1.01 0.00 0.00 177.57 178.41 1x52 h SER 99 N 0.00 0.52 -0.18 3.17 4.64 -1.93 0.30 113.55 120.06 1x52 h SER 99 Ca 0.00 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 1x52 h SER 99 Cb 0.11 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1x52 h SER 99 CO 0.00 0.33 -0.27 1.23 -0.87 0.00 0.00 176.83 177.25 1x52 h GLY 100 N 0.59 0.56 0.74 -0.77 0.00 -1.09 -0.08 103.07 103.03 1x52 h GLY 100 Ca 0.29 -0.62 0.09 0.00 0.00 0.00 0.00 47.33 47.08 1x52 h GLY 100 CO -0.09 0.56 0.58 0.83 0.00 0.00 0.00 176.54 178.42 1x52 h GLU 101 N 0.17 0.90 0.04 4.80 4.39 -1.45 0.12 114.58 123.54 1x52 h GLU 101 Ca 0.02 -0.05 -0.25 0.00 0.34 0.00 0.00 59.36 59.41 1x52 h GLU 101 Cb 0.85 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1x52 h GLU 101 CO 0.06 0.60 -1.06 1.96 -1.16 0.00 0.00 179.01 179.41 1x52 h GLN 102 N 0.93 0.49 -0.14 2.33 1.08 -0.87 -3.22 115.11 115.71 1x52 h GLN 102 Ca 0.41 -0.58 -0.06 0.00 -1.45 0.00 0.00 58.65 56.97 1x52 h GLN 102 Cb 0.36 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1x52 h GLN 102 CO -0.17 1.21 -0.20 1.25 -0.95 0.00 0.00 178.83 179.97 1x52 h LEU 103 N 0.25 0.22 -0.95 1.46 5.85 -0.25 -3.13 115.31 118.76 1x52 h LEU 103 Ca -0.12 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.63 1x52 h LEU 103 Cb 1.72 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.62 1x52 h LEU 103 CO 0.19 0.44 0.60 -1.28 -0.34 0.00 0.00 178.44 178.04 1x52 h SER 104 N 0.21 0.91 0.00 1.25 0.87 -0.80 0.31 113.55 116.30 1x52 h SER 104 Ca 0.04 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1x52 h SER 104 Cb 0.48 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1x52 h SER 104 CO 0.03 0.54 0.07 1.56 -0.53 0.00 0.00 176.83 178.50 1x52 h GLN 105 N 1.02 0.00 -0.50 2.24 4.20 -1.64 -0.71 115.11 119.71 1x52 h GLN 105 Ca 0.44 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.78 1x52 h GLN 105 Cb 0.30 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 27.74 1x52 h GLN 105 CO -0.21 0.00 -0.82 1.28 -0.67 0.00 0.00 178.83 178.41 1x52 n LEU 106 N -2.35 3.72 0.00 1.46 4.77 0.64 -4.96 117.00 120.27 1x52 n LEU 106 Ca -0.02 -4.15 0.00 0.00 -0.03 0.00 0.00 56.01 51.82 1x52 n LEU 106 Cb 0.11 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1x52 n LEU 106 CO 0.10 1.70 0.00 0.35 -1.33 0.00 0.00 177.39 178.22 1x52 n THR 107 N -0.71 0.00 -1.22 -5.08 -2.24 -0.27 -2.60 114.28 102.16 1x52 n THR 107 Ca 0.31 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 62.01 1x52 n THR 107 Cb 0.90 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.39 0.88 2.99 3.38 0.00 0.77 -4.88 105.19 107.94 1x52 n GLY 108 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.01 -0.62 0.27 1.61 0.11 -1.07 -1.55 120.40 117.13 1x52 s VAL 109 Ca 0.00 -0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1x52 s VAL 109 Cb 0.00 -0.79 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1x52 s VAL 109 CO 0.00 -0.08 0.27 0.00 -3.33 0.00 0.00 175.10 171.96 1x52 s ALA 110 N 2.57 1.15 -0.16 1.54 0.00 -0.35 -1.62 121.76 124.88 1x52 s ALA 110 Ca 0.10 -1.69 -0.29 0.00 0.00 0.00 0.00 51.96 50.09 1x52 s ALA 110 Cb -0.15 1.34 0.10 0.00 0.00 0.00 0.00 23.12 24.41 1x52 s ALA 110 CO -0.15 -0.68 0.85 0.00 0.00 0.00 0.00 175.76 175.78 1x52 s ALA 111 N -3.75 -1.86 0.40 0.00 0.00 -0.10 -0.88 121.76 115.56 1x52 s ALA 111 Ca 0.36 1.63 -0.15 0.00 0.00 0.00 0.00 51.96 53.80 1x52 s ALA 111 Cb 0.04 -0.69 -0.08 0.00 0.00 0.00 0.00 23.12 22.38 1x52 s ALA 111 CO 0.18 -0.32 0.83 0.42 0.00 0.00 0.00 175.76 176.86 1x52 s ILE 112 N -0.64 4.63 -0.05 0.00 1.01 0.24 -2.27 121.20 124.12 1x52 s ILE 112 Ca -0.04 1.01 0.05 0.00 0.00 0.00 0.00 60.65 61.68 1x52 s ILE 112 Cb -0.02 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1x52 s ILE 112 CO 0.03 -0.39 -0.20 -0.76 0.00 0.00 0.00 174.94 173.62 1x52 s LEU 113 N -3.44 2.38 0.21 2.97 1.43 -0.16 -1.48 118.68 120.60 1x52 s LEU 113 Ca 0.56 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 53.20 1x52 s LEU 113 Cb -0.10 -1.45 0.15 0.00 0.03 0.00 0.00 46.19 44.82 1x52 s LEU 113 CO 0.23 0.31 1.84 0.03 0.23 0.00 0.00 176.35 178.99 1x52 h ARG 114 N 5.62 1.02 -4.27 1.70 3.08 -1.13 -3.45 114.38 116.95 1x52 h ARG 114 Ca -0.41 -0.10 -0.16 0.00 0.07 0.00 0.00 59.98 59.38 1x52 h ARG 114 Cb 1.15 -0.21 -0.17 0.00 0.08 0.00 0.00 29.97 30.82 1x52 h ARG 114 CO 0.49 0.73 -0.69 -0.59 -1.07 0.00 0.00 179.97 178.84 1x52 s PHE 115 N -5.95 0.53 0.03 3.04 -0.12 -1.26 -5.08 117.98 109.16 1x52 s PHE 115 Ca -0.13 -0.89 -0.30 0.00 -0.05 0.00 0.00 56.93 55.56 1x52 s PHE 115 Cb 0.15 -0.37 -0.07 0.00 -0.63 0.00 0.00 43.02 42.11 1x52 s PHE 115 CO 0.79 -0.28 1.52 -1.25 -0.05 0.00 0.00 175.22 175.95 1x52 s PRO 116 N -3.20 4.24 -0.00 1.99 0.04 -1.26 -4.77 135.00 132.04 1x52 s PRO 116 Ca 0.01 2.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 1x52 s PRO 116 Cb 0.02 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.94 1x52 s PRO 116 CO -0.06 -0.65 1.04 0.08 0.04 0.00 0.00 177.00 177.45 1x52 s VAL 117 N 2.52 4.64 -1.02 -0.36 1.01 -0.93 -4.96 120.40 121.29 1x52 s VAL 117 Ca 0.68 1.90 -0.23 0.00 0.00 0.00 0.00 61.98 64.33 1x52 s VAL 117 Cb -0.35 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.80 1x52 s VAL 117 CO 0.29 0.12 1.79 -2.16 0.00 0.00 0.00 175.10 175.14 1x52 s PRO 118 N 1.23 2.97 -0.01 2.72 0.04 -1.26 -4.87 135.00 135.82 1x52 s PRO 118 Ca 0.53 -0.84 -0.04 0.00 0.04 0.00 0.00 61.00 60.69 1x52 s PRO 118 Cb -0.23 -5.22 -0.00 0.00 0.04 0.00 0.00 34.50 29.09 1x52 s PRO 118 CO 0.27 -3.06 0.09 -1.54 0.04 0.00 0.00 177.00 172.79 1x52 s SER 119 N 6.56 0.02 0.78 6.66 1.04 -1.26 -5.18 113.70 122.33 1x52 s SER 119 Ca 0.62 -0.12 -0.12 0.00 0.48 0.00 0.00 55.95 56.81 1x52 s SER 119 Cb -0.03 0.19 0.06 0.00 0.10 0.00 0.00 66.02 66.34 1x52 s SER 119 CO 0.00 -0.23 1.15 -0.83 0.98 0.00 0.00 173.24 174.31 1x52 s GLY 120 N -0.87 1.60 0.08 7.32 0.00 -1.26 -4.97 107.32 109.21 1x52 s GLY 120 Ca -0.10 -0.59 -0.31 0.00 0.00 0.00 0.00 44.72 43.73 1x52 s GLY 120 CO 0.00 -0.13 1.74 2.56 0.00 0.00 0.00 173.10 177.27 1x52 s PRO 121 N -5.51 4.17 -0.39 2.90 0.04 -1.26 -4.94 135.00 130.01 1x52 s PRO 121 Ca 0.61 2.43 0.05 0.00 0.04 0.00 0.00 61.00 64.14 1x52 s PRO 121 Cb -0.11 -3.66 0.17 0.00 0.04 0.00 0.00 34.50 30.94 1x52 s PRO 121 CO 0.49 -0.79 0.49 0.45 0.04 0.00 0.00 177.00 177.68 1x52 s SER 122 N 2.70 -0.02 -0.37 6.66 0.15 -1.26 -5.10 113.70 116.47 1x52 s SER 122 Ca 0.77 -1.27 0.05 0.00 0.70 0.00 0.00 55.95 56.21 1x52 s SER 122 Cb -0.42 1.17 0.17 0.00 -1.71 0.00 0.00 66.02 65.23 1x52 s SER 122 CO 0.34 -0.22 0.49 -0.44 1.20 0.00 0.00 173.24 174.61 1x52 s SER 123 N 1.58 -0.14 0.00 5.45 0.01 -1.26 -5.13 113.70 114.20 1x52 s SER 123 Ca 0.17 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1x52 s SER 123 Cb -0.10 1.27 0.00 0.00 0.21 0.00 0.00 66.02 67.39 1x52 s SER 123 CO -0.04 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.97