#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 -0.66 0.47 1.61 1.04 -1.26 -5.18 113.70 109.71 1x52 s SER 2 Ca 0.00 0.80 0.06 0.00 0.48 0.00 0.00 55.95 57.29 1x52 s SER 2 Cb 0.00 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.79 1x52 s SER 2 CO 0.00 -0.55 0.64 -0.94 0.98 0.00 0.00 173.24 173.37 1x52 s SER 3 N -0.98 5.52 0.00 7.02 1.04 -1.26 -5.06 113.70 119.97 1x52 s SER 3 Ca -0.09 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1x52 s SER 3 Cb -0.01 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.43 1x52 s SER 3 CO 0.09 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1x52 n GLY 4 N -2.02 -1.09 3.74 7.32 0.00 -1.26 -5.14 105.19 106.75 1x52 n GLY 4 Ca 0.08 0.61 -0.36 0.00 0.00 0.00 0.00 46.02 46.36 1x52 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x52 s SER 5 N 2.00 4.78 0.60 1.61 0.01 -1.26 -4.89 113.70 116.55 1x52 s SER 5 Ca 0.00 2.43 0.00 0.00 1.31 0.00 0.00 55.95 59.69 1x52 s SER 5 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1x52 s SER 5 CO 0.00 -1.87 0.00 -1.20 0.41 0.00 0.00 173.24 170.58 1x52 n SER 6 N -1.98 -6.60 0.00 2.44 7.64 -1.26 -5.07 113.62 108.78 1x52 n SER 6 Ca 0.14 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1x52 n SER 6 Cb 0.49 -2.01 0.00 0.00 -1.01 0.00 0.00 64.21 61.69 1x52 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x52 n GLY 7 N -2.00 -2.12 3.76 0.23 0.00 -1.26 -5.14 105.19 98.66 1x52 n GLY 7 Ca 0.00 0.76 -0.41 0.00 0.00 0.00 0.00 46.02 46.38 1x52 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x52 s THR 8 N 0.00 3.12 -0.65 2.61 -1.32 -1.26 -4.98 115.64 113.16 1x52 s THR 8 Ca 0.00 1.06 -0.21 0.00 -1.21 0.00 0.00 61.69 61.33 1x52 s THR 8 Cb 0.00 -3.68 0.09 0.00 -1.51 0.00 0.00 72.50 67.40 1x52 s THR 8 CO 0.00 0.23 0.89 -0.69 -2.21 0.00 0.00 174.62 172.84 1x52 s VAL 9 N -0.78 4.51 0.03 5.08 1.01 -1.26 -4.88 120.40 124.11 1x52 s VAL 9 Ca 0.50 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 1x52 s VAL 9 Cb -0.36 -4.63 -0.16 0.00 0.00 0.00 0.00 36.38 31.23 1x52 s VAL 9 CO 0.45 -1.35 1.28 0.00 0.00 0.00 0.00 175.10 175.47 1x52 h ALA 10 N 9.40 0.20 -1.11 5.51 0.00 -2.08 -3.50 119.26 127.68 1x52 h ALA 10 Ca -0.26 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1x52 h ALA 10 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1x52 h ALA 10 CO 1.15 0.17 0.00 0.45 0.00 0.00 0.00 179.25 181.02 1x52 n SER 11 N -4.47 -3.34 -3.92 0.00 2.88 -1.26 -5.02 113.62 98.50 1x52 n SER 11 Ca -0.07 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.38 1x52 n SER 11 Cb 0.44 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.84 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 0.00 1.36 0.04 -1.46 3.52 -1.26 -5.19 118.95 115.96 1x52 s ARG 12 Ca 0.00 -1.12 -0.08 0.00 -0.13 0.00 0.00 55.73 54.40 1x52 s ARG 12 Cb 0.00 0.45 -0.00 0.00 -1.56 0.00 0.00 34.95 33.84 1x52 s ARG 12 CO 0.00 -0.55 0.16 -1.17 -0.81 0.00 0.00 175.30 172.94 1x52 s LEU 13 N -2.96 1.49 0.35 -0.88 2.96 -1.26 -5.06 118.68 113.32 1x52 s LEU 13 Ca 0.17 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 1x52 s LEU 13 Cb 0.01 0.84 0.00 0.00 0.50 0.00 0.00 46.19 47.54 1x52 s LEU 13 CO 0.03 -0.53 0.00 -1.20 -1.32 0.00 0.00 176.35 173.33 1x52 n SER 14 N 0.78 -2.21 -3.98 3.68 7.64 -1.26 -5.11 113.62 113.16 1x52 n SER 14 Ca -0.19 0.65 -0.10 0.00 1.01 0.00 0.00 58.87 60.24 1x52 n SER 14 Cb 0.58 2.18 -0.11 0.00 -1.01 0.00 0.00 64.21 65.85 1x52 n SER 14 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1x52 s ASP 15 N -3.17 0.27 0.17 6.43 1.01 -1.26 -5.03 116.67 115.08 1x52 s ASP 15 Ca 0.00 -0.47 -0.14 0.00 0.71 0.00 0.00 52.55 52.66 1x52 s ASP 15 Cb 0.00 0.09 0.07 0.00 1.01 0.00 0.00 42.92 44.09 1x52 s ASP 15 CO 0.00 -0.27 1.81 0.74 0.21 0.00 0.00 175.17 177.66 1x52 h THR 16 N 4.67 1.17 -0.02 -1.27 2.02 -2.01 0.20 112.91 117.66 1x52 h THR 16 Ca -0.32 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 1x52 h THR 16 Cb 1.21 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1x52 h THR 16 CO 0.42 0.17 -0.05 0.50 0.37 0.00 0.00 175.52 176.93 1x52 h LYS 17 N 0.74 0.07 0.00 6.66 1.63 -2.00 -2.96 116.57 120.71 1x52 h LYS 17 Ca 0.20 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1x52 h LYS 17 Cb -0.01 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1x52 h LYS 17 CO -0.04 0.64 -0.07 0.00 -3.45 0.00 0.00 179.45 176.53 1x52 h ALA 18 N 0.43 1.47 0.00 5.00 0.00 -1.93 0.14 119.26 124.37 1x52 h ALA 18 Ca -0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1x52 h ALA 18 Cb 0.64 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1x52 h ALA 18 CO 0.01 0.09 -0.40 0.00 0.00 0.00 0.00 179.25 178.95 1x52 h ALA 19 N 1.93 1.06 0.26 0.00 0.00 -0.59 0.04 119.26 121.96 1x52 h ALA 19 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1x52 h ALA 19 Cb 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1x52 h ALA 19 CO 0.01 0.50 -0.13 0.78 0.00 0.00 0.00 179.25 180.41 1x52 h GLY 20 N 1.82 -0.37 0.33 0.00 0.00 -0.55 -0.80 103.07 103.51 1x52 h GLY 20 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1x52 h GLY 20 CO 0.05 -0.13 -0.48 0.83 0.00 0.00 0.00 176.54 176.81 1x52 h GLU 21 N -0.50 -0.78 -0.77 4.80 3.07 -1.34 -2.81 114.58 116.24 1x52 h GLU 21 Ca -0.04 0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1x52 h GLU 21 Cb 0.37 0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 28.42 1x52 h GLU 21 CO 0.06 -0.52 0.43 0.28 -1.40 0.00 0.00 179.01 177.85 1x52 h VAL 22 N -0.81 1.23 -0.37 3.13 2.07 -1.03 -1.31 116.25 119.16 1x52 h VAL 22 Ca -0.02 -0.56 0.06 0.00 0.82 0.00 0.00 66.70 67.00 1x52 h VAL 22 Cb 0.77 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1x52 h VAL 22 CO -0.19 0.25 0.05 0.50 0.02 0.00 0.00 177.57 178.21 1x52 h LYS 23 N 1.06 0.17 -0.54 1.57 3.11 -1.08 0.49 116.57 121.34 1x52 h LYS 23 Ca 0.27 -0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 58.01 1x52 h LYS 23 Cb 0.03 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.20 1x52 h LYS 23 CO -0.04 0.11 -0.03 0.00 -2.81 0.00 0.00 179.45 176.67 1x52 h ALA 24 N 1.29 0.93 -0.29 5.00 0.00 -1.17 -0.88 119.26 124.14 1x52 h ALA 24 Ca 0.18 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1x52 h ALA 24 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1x52 h ALA 24 CO -0.26 0.63 0.17 1.25 0.00 0.00 0.00 179.25 181.05 1x52 h LEU 25 N 0.86 0.35 0.16 0.00 5.85 -0.63 -1.24 115.31 120.67 1x52 h LEU 25 Ca 0.15 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1x52 h LEU 25 Cb 0.55 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1x52 h LEU 25 CO 0.03 0.32 -0.23 -0.78 -0.34 0.00 0.00 178.44 177.45 1x52 h ASP 26 N 0.36 -0.62 -0.50 1.25 1.82 -0.58 0.41 116.42 118.56 1x52 h ASP 26 Ca 0.10 0.07 -0.09 0.00 -0.39 0.00 0.00 57.03 56.72 1x52 h ASP 26 Cb 0.04 0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 1x52 h ASP 26 CO -0.02 -0.32 -0.03 -0.78 -1.61 0.00 0.00 179.24 176.48 1x52 h ASP 27 N -0.45 0.88 0.28 2.28 1.82 -1.15 -0.17 116.42 119.92 1x52 h ASP 27 Ca 0.02 -0.32 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 1x52 h ASP 27 Cb 0.45 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.19 1x52 h ASP 27 CO -0.10 0.99 -0.42 0.15 -1.61 0.00 0.00 179.24 178.26 1x52 h PHE 28 N 0.75 -1.15 -0.89 0.28 3.57 -1.06 -1.23 116.94 117.21 1x52 h PHE 28 Ca 0.14 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1x52 h PHE 28 Cb 0.56 0.47 -0.05 0.00 2.79 0.00 0.00 35.95 39.72 1x52 h PHE 28 CO 0.04 -0.55 0.58 1.88 -2.23 0.00 0.00 178.31 178.04 1x52 h TYR 29 N -0.76 1.10 -0.35 0.41 0.05 -0.57 0.23 116.97 117.08 1x52 h TYR 29 Ca -0.01 0.03 0.08 0.00 0.05 0.00 0.00 58.73 58.87 1x52 h TYR 29 Cb 0.72 -0.37 -0.08 0.00 1.01 0.00 0.00 36.73 38.01 1x52 h TYR 29 CO -0.29 0.68 -0.20 -0.22 -1.05 0.00 0.00 178.16 177.08 1x52 h LYS 30 N 1.17 -0.14 -0.85 4.88 3.64 -0.83 -1.32 116.57 123.13 1x52 h LYS 30 Ca 0.33 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1x52 h LYS 30 Cb -0.09 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1x52 h LYS 30 CO -0.09 -0.09 0.50 1.98 -2.27 0.00 0.00 179.45 179.48 1x52 h MET 31 N -0.14 1.15 -0.34 1.90 4.05 -0.17 -1.85 114.93 119.52 1x52 h MET 31 Ca 0.18 -0.11 0.10 0.00 -0.28 0.00 0.00 59.70 59.58 1x52 h MET 31 Cb 0.42 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1x52 h MET 31 CO -0.44 0.82 0.25 1.25 0.23 0.00 0.00 176.91 179.02 1x52 h LEU 32 N 1.16 0.00 0.00 3.39 5.85 0.51 0.88 115.31 127.11 1x52 h LEU 32 Ca 0.30 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 1x52 h LEU 32 Cb -0.03 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1x52 h LEU 32 CO -0.05 0.00 -0.03 1.56 -0.34 0.00 0.00 178.44 179.57 1x52 h GLN 33 N 0.00 0.00 0.08 1.25 1.08 -1.06 -3.37 115.11 113.09 1x52 h GLN 33 Ca 0.16 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1x52 h GLN 33 Cb 0.66 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 1x52 h GLN 33 CO -0.00 0.06 -0.04 0.45 -0.95 0.00 0.00 178.83 178.36 1x52 h HIS 34 N -1.00 -0.09 -1.72 2.96 3.86 -0.54 -3.41 115.15 115.21 1x52 h HIS 34 Ca -0.00 -0.00 -0.41 0.00 -1.16 0.00 0.00 60.37 58.79 1x52 h HIS 34 Cb 0.09 0.03 -0.29 0.00 1.06 0.00 0.00 27.41 28.30 1x52 h HIS 34 CO 0.01 0.40 -0.79 -0.85 0.86 0.00 0.00 177.93 177.56 1x52 n GLU 35 N -4.88 0.38 0.00 2.45 0.28 0.23 -5.01 120.64 114.08 1x52 n GLU 35 Ca -0.08 -2.70 0.01 0.00 -0.16 0.00 0.00 57.16 54.23 1x52 n GLU 35 Cb 0.27 -1.55 0.05 0.00 1.43 0.00 0.00 31.44 31.64 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 2.70 0.01 0.22 3.44 -0.04 -1.04 -1.18 135.00 139.11 1x52 n PRO 36 Ca 0.24 0.42 0.15 0.00 -0.04 0.00 0.00 63.50 64.28 1x52 n PRO 36 Cb 0.52 -1.50 0.79 0.00 -0.04 0.00 0.00 33.50 33.27 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 3.32 -1.94 -0.21 116.42 120.72 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 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 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 -2.57 2.68 -3.76 3.56 1.74 -0.33 -2.70 116.66 115.29 1x52 n ARG 38 Ca -0.01 -2.15 -0.30 0.00 -0.77 0.00 0.00 57.85 54.62 1x52 n ARG 38 Cb 0.08 -1.35 -0.13 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 -1.02 2.40 -0.10 7.54 0.00 -0.09 -0.76 121.76 129.73 1x52 s ALA 39 Ca 0.29 -2.75 -0.15 0.00 0.00 0.00 0.00 51.96 49.35 1x52 s ALA 39 Cb 0.16 -1.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 1x52 s ALA 39 CO 0.21 -2.05 0.38 -0.06 0.00 0.00 0.00 175.76 174.23 1x52 s PHE 40 N 0.19 3.56 0.07 0.00 0.40 -0.73 -4.88 117.98 116.59 1x52 s PHE 40 Ca 0.18 0.80 -0.01 0.00 -0.60 0.00 0.00 56.93 57.30 1x52 s PHE 40 Cb -0.24 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.88 1x52 s PHE 40 CO -0.00 0.35 -0.00 1.52 0.70 0.00 0.00 175.22 177.79 1x52 s TYR 41 N 0.01 0.59 0.15 0.36 1.13 -1.26 -0.78 117.35 117.55 1x52 s TYR 41 Ca 0.22 -1.09 0.00 0.00 -1.41 0.00 0.00 57.07 54.78 1x52 s TYR 41 Cb -0.15 -0.40 0.00 0.00 -1.10 0.00 0.00 41.96 40.31 1x52 s TYR 41 CO 0.09 -0.42 0.00 0.41 -2.51 0.00 0.00 175.55 173.12 1x52 n GLY 42 N 0.06 -3.57 0.33 5.49 0.00 -0.27 -4.26 105.19 102.96 1x52 n GLY 42 Ca -0.12 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.81 -0.54 0.01 0.99 7.94 -1.26 -1.34 117.00 121.99 1x52 n LEU 43 Ca 0.00 1.50 -0.11 0.00 -1.11 0.00 0.00 56.01 56.29 1x52 n LEU 43 Cb 0.00 -0.35 -0.05 0.00 0.53 0.00 0.00 43.42 43.55 1x52 n LEU 43 CO 0.00 -1.35 0.89 0.50 -1.11 0.00 0.00 177.39 176.32 1x52 h LYS 44 N 0.00 0.08 0.53 1.96 1.63 -1.98 -0.26 116.57 118.53 1x52 h LYS 44 Ca 0.30 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.08 1x52 h LYS 44 Cb 0.52 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 1x52 h LYS 44 CO -0.85 0.05 -0.45 1.96 -3.45 0.00 0.00 179.45 176.71 1x52 h GLN 45 N 0.08 -0.93 -0.77 1.90 4.20 -1.39 -1.56 115.11 116.64 1x52 h GLN 45 Ca 0.03 0.06 0.17 0.00 0.06 0.00 0.00 58.65 58.98 1x52 h GLN 45 Cb 0.01 0.21 -0.11 0.00 0.30 0.00 0.00 27.48 27.89 1x52 h GLN 45 CO -0.03 -0.62 0.21 0.28 -0.67 0.00 0.00 178.83 178.00 1x52 h VAL 46 N -0.96 0.50 -0.95 -0.54 2.07 -1.36 0.17 116.25 115.18 1x52 h VAL 46 Ca -0.06 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1x52 h VAL 46 Cb 0.82 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1x52 h VAL 46 CO -0.02 0.05 0.62 -0.33 0.02 0.00 0.00 177.57 177.91 1x52 h GLU 47 N 0.29 1.14 -0.47 1.57 5.08 -0.67 0.77 114.58 122.29 1x52 h GLU 47 Ca 0.44 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.64 1x52 h GLU 47 Cb 0.77 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1x52 h GLU 47 CO -0.52 0.75 -0.10 -0.22 -1.00 0.00 0.00 179.01 177.92 1x52 h LYS 48 N 1.17 0.84 -0.19 2.33 1.63 0.27 -1.13 116.57 121.50 1x52 h LYS 48 Ca 0.39 -0.28 -0.14 0.00 -0.85 0.00 0.00 60.65 59.76 1x52 h LYS 48 Cb 0.05 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1x52 h LYS 48 CO -0.14 0.91 -0.47 0.00 -3.45 0.00 0.00 179.45 176.30 1x52 h ALA 49 N 1.12 0.83 -0.71 5.00 0.00 -0.54 -2.70 119.26 122.26 1x52 h ALA 49 Ca 0.13 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1x52 h ALA 49 Cb 0.60 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1x52 h ALA 49 CO 0.04 0.66 0.27 -0.97 0.00 0.00 0.00 179.25 179.25 1x52 h ASN 50 N 0.39 0.97 0.13 0.00 -0.73 -0.43 -1.32 115.58 114.60 1x52 h ASN 50 Ca 0.02 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.04 1x52 h ASN 50 Cb 0.98 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 39.31 1x52 h ASN 50 CO 0.09 0.88 0.00 -0.62 -0.37 0.00 0.00 177.43 177.40 1x52 n GLU 51 N -4.29 0.23 0.00 6.67 1.02 -0.47 -0.93 120.64 122.88 1x52 n GLU 51 Ca 0.06 0.12 0.06 0.00 -0.02 0.00 0.00 57.16 57.38 1x52 n GLU 51 Cb 0.19 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.18 3.11 -0.77 0.62 0.00 -0.55 -4.99 120.51 116.74 1x52 n ALA 52 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1x52 n ALA 52 Cb 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.41 -0.77 0.00 0.00 2.81 -0.10 -4.87 117.12 113.78 1x52 n MET 53 Ca 0.05 0.19 0.12 0.00 -1.81 0.00 0.00 57.70 56.25 1x52 n MET 53 Cb 0.25 -4.40 0.54 0.00 -0.71 0.00 0.00 33.22 28.90 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 -2.08 3.04 0.00 -0.92 -4.76 120.51 118.97 1x52 n ALA 54 Ca 0.00 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1x52 n ALA 54 Cb 0.19 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 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 -3.00 3.66 -0.05 0.00 1.01 -1.26 -0.31 121.20 121.25 1x52 s ILE 55 Ca 0.12 0.75 -0.00 0.00 0.00 0.00 0.00 60.65 61.52 1x52 s ILE 55 Cb 0.17 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.99 1x52 s ILE 55 CO 0.47 -0.24 -0.00 -0.78 0.00 0.00 0.00 174.94 174.38 1x52 h ASP 56 N 10.64 0.00 -3.65 3.58 3.58 -1.63 -3.38 116.42 125.56 1x52 h ASP 56 Ca -0.35 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.54 1x52 h ASP 56 Cb 1.16 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 41.89 1x52 h ASP 56 CO 0.99 0.24 -0.84 -0.89 -2.88 0.00 0.00 179.24 175.87 1x52 s THR 57 N -1.27 1.44 -0.13 2.25 2.01 -1.20 -0.08 115.64 118.65 1x52 s THR 57 Ca -0.00 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 1x52 s THR 57 Cb 0.00 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1x52 s THR 57 CO 0.00 0.42 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.08 1x52 s LEU 58 N 0.30 3.18 -0.17 4.42 2.96 -0.36 -0.59 118.68 128.41 1x52 s LEU 58 Ca -0.10 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1x52 s LEU 58 Cb -0.14 -1.74 0.02 0.00 0.50 0.00 0.00 46.19 44.83 1x52 s LEU 58 CO 0.04 0.23 -0.20 -1.48 -1.32 0.00 0.00 176.35 173.61 1x52 s LEU 59 N 0.02 2.12 -0.00 -0.68 2.34 0.02 -0.58 118.68 121.92 1x52 s LEU 59 Ca -0.00 -0.64 -0.02 0.00 0.06 0.00 0.00 54.13 53.52 1x52 s LEU 59 Cb -0.13 -1.47 -0.00 0.00 -0.56 0.00 0.00 46.19 44.02 1x52 s LEU 59 CO 0.03 0.01 0.04 -0.51 -1.06 0.00 0.00 176.35 174.86 1x52 s ILE 60 N 1.20 0.05 0.40 1.48 2.07 -0.99 -0.99 121.20 124.43 1x52 s ILE 60 Ca 0.03 -0.42 -0.26 0.00 -1.41 0.00 0.00 60.65 58.58 1x52 s ILE 60 Cb -0.13 -0.20 -0.09 0.00 0.13 0.00 0.00 42.46 42.16 1x52 s ILE 60 CO -0.11 -0.23 1.33 -0.55 -1.91 0.00 0.00 174.94 173.46 1x52 s SER 61 N -0.71 6.30 0.22 4.50 0.15 -0.05 -0.99 113.70 123.13 1x52 s SER 61 Ca -0.08 2.70 -0.09 0.00 0.70 0.00 0.00 55.95 59.19 1x52 s SER 61 Cb -0.05 -2.64 0.21 0.00 -1.71 0.00 0.00 66.02 61.83 1x52 s SER 61 CO -0.00 -0.86 1.87 -2.24 1.20 0.00 0.00 173.24 173.21 1x52 h ASP 62 N 2.71 0.84 -0.86 5.45 2.03 -1.08 -2.32 116.42 123.19 1x52 h ASP 62 Ca -0.50 -0.01 0.21 0.00 -0.73 0.00 0.00 57.03 56.01 1x52 h ASP 62 Cb 1.25 -0.19 -0.05 0.00 -0.83 0.00 0.00 39.33 39.50 1x52 h ASP 62 CO 0.63 0.59 0.59 1.05 -1.03 0.00 0.00 179.24 181.06 1x52 h GLU 63 N 1.00 0.27 0.09 4.15 4.11 -1.92 0.50 114.58 122.78 1x52 h GLU 63 Ca 0.31 -0.02 -0.20 0.00 0.07 0.00 0.00 59.36 59.52 1x52 h GLU 63 Cb -0.02 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.19 1x52 h GLU 63 CO -0.10 0.18 -0.85 -0.07 0.07 0.00 0.00 179.01 178.23 1x52 h LEU 64 N 0.28 0.60 -2.09 3.06 3.38 -1.79 -1.47 115.31 117.28 1x52 h LEU 64 Ca 0.44 -0.85 0.06 0.00 0.09 0.00 0.00 57.88 57.62 1x52 h LEU 64 Cb 1.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1x52 h LEU 64 CO -0.12 1.39 0.33 0.15 0.09 0.00 0.00 178.44 180.29 1x52 h PHE 65 N -0.11 0.00 0.00 1.13 3.57 -0.50 -2.65 116.94 118.38 1x52 h PHE 65 Ca -0.13 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 1x52 h PHE 65 Cb 1.60 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 40.23 1x52 h PHE 65 CO 0.16 0.00 -0.58 2.89 -2.23 0.00 0.00 178.31 178.55 1x52 n ARG 66 N -3.46 0.89 -1.60 1.11 1.85 -0.07 -4.82 116.66 110.57 1x52 n ARG 66 Ca 0.03 -2.55 -0.38 0.00 -1.00 0.00 0.00 57.85 53.95 1x52 n ARG 66 Cb 0.45 -1.00 0.05 0.00 -1.05 0.00 0.00 32.46 30.92 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 -0.57 0.72 0.24 2.89 -0.00 -0.56 -4.91 115.22 113.04 1x52 n HIS 67 Ca 0.13 0.44 0.15 0.00 0.46 0.00 0.00 57.72 58.90 1x52 n HIS 67 Cb 0.82 -2.13 0.83 0.00 -0.12 0.00 0.00 29.99 29.39 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 0.54 0.00 -4.75 1.57 3.07 -1.92 -3.41 115.11 110.21 1x52 h GLN 68 Ca -0.48 0.00 -0.68 0.00 0.09 0.00 0.00 58.65 57.58 1x52 h GLN 68 Cb 1.36 0.00 -0.24 0.00 0.08 0.00 0.00 27.48 28.69 1x52 h GLN 68 CO 0.51 0.00 -0.56 0.34 0.09 0.00 0.00 178.83 179.21 1x52 s ASP 69 N -6.18 5.50 0.31 0.06 -1.08 -1.26 -4.99 116.67 109.03 1x52 s ASP 69 Ca -0.05 -0.65 0.05 0.00 -0.52 0.00 0.00 52.55 51.38 1x52 s ASP 69 Cb 0.16 -1.98 0.69 0.00 -1.46 0.00 0.00 42.92 40.33 1x52 s ASP 69 CO 0.58 -0.23 1.82 0.58 0.52 0.00 0.00 175.17 178.44 1x52 h VAL 70 N 5.75 0.81 -0.02 1.11 2.07 -1.99 0.14 116.25 124.13 1x52 h VAL 70 Ca -0.31 -0.29 -0.21 0.00 0.82 0.00 0.00 66.70 66.72 1x52 h VAL 70 Cb 1.13 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1x52 h VAL 70 CO 0.62 0.15 -0.88 0.00 0.02 0.00 0.00 177.57 177.49 1x52 h ALA 71 N 1.59 0.45 0.25 1.67 0.00 -1.95 0.26 119.26 121.54 1x52 h ALA 71 Ca 0.52 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1x52 h ALA 71 Cb 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1x52 h ALA 71 CO -0.29 0.83 -0.12 1.15 0.00 0.00 0.00 179.25 180.81 1x52 h THR 72 N 0.21 0.81 -0.35 0.00 2.02 -1.68 -1.81 112.91 112.11 1x52 h THR 72 Ca -0.06 -0.56 0.07 0.00 0.77 0.00 0.00 66.41 66.63 1x52 h THR 72 Cb 1.50 1.12 -0.07 0.00 -1.74 0.00 0.00 68.15 68.95 1x52 h THR 72 CO 0.15 0.12 -0.12 -0.09 0.37 0.00 0.00 175.52 175.95 1x52 h ARG 73 N -0.63 -0.04 -0.79 6.66 2.43 -0.79 -2.33 114.38 118.89 1x52 h ARG 73 Ca -0.03 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 1x52 h ARG 73 Cb 0.45 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 1x52 h ARG 73 CO 0.06 -0.03 0.51 0.66 -1.51 0.00 0.00 179.97 179.66 1x52 h SER 74 N -0.04 0.70 0.37 -3.80 4.64 -0.30 -0.21 113.55 114.91 1x52 h SER 74 Ca 0.17 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 1x52 h SER 74 Cb 0.30 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1x52 h SER 74 CO -0.38 0.43 -0.18 0.03 -0.87 0.00 0.00 176.83 175.87 1x52 h ARG 75 N 0.78 -0.47 0.32 4.77 3.08 -0.77 -1.07 114.38 121.01 1x52 h ARG 75 Ca 0.35 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.42 1x52 h ARG 75 Cb 0.34 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1x52 h ARG 75 CO -0.13 -0.29 -0.19 1.88 -1.07 0.00 0.00 179.97 180.17 1x52 h TYR 76 N -0.53 -0.50 -0.47 3.04 0.05 -1.09 -1.06 116.97 116.42 1x52 h TYR 76 Ca -0.05 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.68 1x52 h TYR 76 Cb 0.40 0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.30 1x52 h TYR 76 CO -0.04 -0.30 0.10 -0.39 -1.05 0.00 0.00 178.16 176.47 1x52 h VAL 77 N -0.49 1.21 0.57 -2.88 -1.51 -1.07 0.16 116.25 112.24 1x52 h VAL 77 Ca -0.03 -0.76 -0.03 0.00 -1.23 0.00 0.00 66.70 64.65 1x52 h VAL 77 Cb 0.40 0.75 0.01 0.00 -2.13 0.00 0.00 31.29 30.32 1x52 h VAL 77 CO 0.03 0.28 -0.27 0.03 -1.23 0.00 0.00 177.57 176.41 1x52 h ARG 78 N 0.69 -0.73 -0.91 5.19 3.08 -1.07 -0.76 114.38 119.86 1x52 h ARG 78 Ca 0.15 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.36 1x52 h ARG 78 Cb 0.28 0.17 -0.08 0.00 0.08 0.00 0.00 29.97 30.42 1x52 h ARG 78 CO -0.00 -0.46 0.54 1.25 -1.07 0.00 0.00 179.97 180.24 1x52 h LEU 79 N -0.85 0.78 -0.19 3.04 5.85 -0.85 0.17 115.31 123.27 1x52 h LEU 79 Ca -0.08 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1x52 h LEU 79 Cb 0.62 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1x52 h LEU 79 CO 0.13 0.42 -0.11 0.58 -0.34 0.00 0.00 178.44 179.13 1x52 h VAL 80 N 0.88 0.67 -0.16 1.05 2.07 -0.46 -1.47 116.25 118.83 1x52 h VAL 80 Ca 0.45 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.91 1x52 h VAL 80 Cb 0.44 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1x52 h VAL 80 CO -0.26 0.00 -0.13 0.44 0.02 0.00 0.00 177.57 177.63 1x52 h ASP 81 N -0.09 0.39 0.51 0.57 3.32 0.18 -3.20 116.42 118.10 1x52 h ASP 81 Ca 0.11 -0.46 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 1x52 h ASP 81 Cb 0.25 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1x52 h ASP 81 CO -0.25 0.77 -0.12 0.28 -1.72 0.00 0.00 179.24 178.20 1x52 h SER 82 N 0.02 0.00 -0.54 6.45 0.02 -0.65 -0.30 113.55 118.54 1x52 h SER 82 Ca 0.03 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1x52 h SER 82 Cb 0.65 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1x52 h SER 82 CO 0.03 0.12 0.07 0.58 -1.14 0.00 0.00 176.83 176.50 1x52 h VAL 83 N 0.00 1.25 -0.43 2.27 2.07 -1.26 -2.28 116.25 117.87 1x52 h VAL 83 Ca -0.00 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 1x52 h VAL 83 Cb 0.41 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1x52 h VAL 83 CO 0.02 0.37 0.05 0.11 0.02 0.00 0.00 177.57 178.13 1x52 h LYS 84 N 0.90 0.73 -0.55 1.57 1.57 -1.10 0.65 116.57 120.33 1x52 h LYS 84 Ca 0.18 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1x52 h LYS 84 Cb 0.42 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1x52 h LYS 84 CO 0.01 0.77 0.36 0.93 -0.57 0.00 0.00 179.45 180.95 1x52 h GLU 85 N 0.58 0.74 0.00 3.15 5.08 -1.41 0.57 114.58 123.28 1x52 h GLU 85 Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1x52 h GLU 85 Cb 0.41 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1x52 h GLU 85 CO 0.01 0.50 0.00 0.09 -1.00 0.00 0.00 179.01 178.62 1x52 n ASN 86 N -4.68 0.00 -2.42 1.42 4.13 -0.87 -4.87 115.26 107.98 1x52 n ASN 86 Ca 0.03 -0.90 -0.09 0.00 1.68 0.00 0.00 54.58 55.31 1x52 n ASN 86 Cb 0.03 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.32 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 -0.68 -1.36 -2.44 5.41 0.00 0.19 -4.93 120.51 116.69 1x52 n ALA 87 Ca 0.05 0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 1x52 n ALA 87 Cb 0.02 -2.50 -0.10 0.00 0.00 0.00 0.00 19.45 16.87 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 -3.49 1.85 0.32 0.00 0.00 0.18 -4.90 107.32 101.27 1x52 s GLY 88 Ca 0.13 -1.90 -0.22 0.00 0.00 0.00 0.00 44.72 42.73 1x52 s GLY 88 CO 0.41 -1.88 0.86 -1.59 0.00 0.00 0.00 173.10 170.90 1x52 s THR 89 N -2.86 4.40 0.02 0.90 2.01 0.88 -4.02 115.64 116.97 1x52 s THR 89 Ca 0.29 1.50 0.04 0.00 0.31 0.00 0.00 61.69 63.83 1x52 s THR 89 Cb 0.02 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1x52 s THR 89 CO 0.12 0.02 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.31 1x52 s VAL 90 N -1.76 3.61 -0.08 3.82 1.01 -1.26 -1.23 120.40 124.52 1x52 s VAL 90 Ca 0.51 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1x52 s VAL 90 Cb -0.15 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.67 1x52 s VAL 90 CO 0.20 0.36 -0.03 -0.13 0.00 0.00 0.00 175.10 175.50 1x52 s ARG 91 N -1.52 0.94 -0.42 2.72 1.81 0.25 -4.91 118.95 117.84 1x52 s ARG 91 Ca 0.18 -0.04 -0.18 0.00 -1.72 0.00 0.00 55.73 53.96 1x52 s ARG 91 Cb -0.11 -1.15 0.02 0.00 -0.45 0.00 0.00 34.95 33.26 1x52 s ARG 91 CO 0.08 -0.25 0.50 0.42 -0.68 0.00 0.00 175.30 175.38 1x52 s ILE 92 N 1.71 5.00 -0.18 1.52 -1.09 -1.26 -2.34 121.20 124.57 1x52 s ILE 92 Ca 0.02 -0.13 -0.20 0.00 -2.23 0.00 0.00 60.65 58.11 1x52 s ILE 92 Cb -0.13 -4.08 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 1x52 s ILE 92 CO -0.05 -0.45 0.59 -0.36 -1.23 0.00 0.00 174.94 173.44 1x52 s PHE 93 N 2.37 3.40 -0.18 3.97 0.40 -0.16 -4.89 117.98 122.90 1x52 s PHE 93 Ca 0.16 0.90 -0.29 0.00 -0.60 0.00 0.00 56.93 57.10 1x52 s PHE 93 Cb -0.16 -2.74 -0.03 0.00 0.51 0.00 0.00 43.02 40.60 1x52 s PHE 93 CO 0.15 -0.10 1.56 -1.12 0.70 0.00 0.00 175.22 176.41 1x52 s SER 94 N 1.10 6.54 0.47 1.36 0.01 -1.26 -0.42 113.70 121.50 1x52 s SER 94 Ca 0.28 1.76 0.29 0.00 1.31 0.00 0.00 55.95 59.60 1x52 s SER 94 Cb -0.16 -2.53 1.60 0.00 0.21 0.00 0.00 66.02 65.14 1x52 s SER 94 CO 0.11 -1.10 1.89 -1.28 0.41 0.00 0.00 173.24 173.27 1x52 h SER 95 N 10.03 0.00 -0.11 2.44 0.87 -1.95 -1.69 113.55 123.13 1x52 h SER 95 Ca -0.34 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.03 1x52 h SER 95 Cb 1.15 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.12 1x52 h SER 95 CO 0.99 0.00 -0.69 -0.07 -0.53 0.00 0.00 176.83 176.52 1x52 h LEU 96 N 0.00 0.81-10.16 2.23 3.38 -1.98 -3.41 115.31 106.18 1x52 h LEU 96 Ca 0.00 -0.65 -0.52 0.00 0.09 0.00 0.00 57.88 56.80 1x52 h LEU 96 Cb 0.12 -0.24 0.13 0.00 0.09 0.00 0.00 40.66 40.75 1x52 h LEU 96 CO 0.00 1.33 0.40 -2.28 0.09 0.00 0.00 178.44 177.98 1x52 s HIS 97 N -3.66 2.33 0.56 1.13 2.46 -0.63 -4.92 115.29 112.56 1x52 s HIS 97 Ca -0.11 1.57 0.27 0.00 0.47 0.00 0.00 55.06 57.25 1x52 s HIS 97 Cb 0.07 -3.36 1.67 0.00 -0.13 0.00 0.00 32.58 30.83 1x52 s HIS 97 CO 0.87 -2.18 2.21 -0.24 -2.47 0.00 0.00 174.74 172.94 1x52 h VAL 98 N 0.11 0.63 -0.13 0.89 3.04 -1.89 0.93 116.25 119.84 1x52 h VAL 98 Ca -0.48 -0.07 0.04 0.00 -1.01 0.00 0.00 66.70 65.18 1x52 h VAL 98 Cb 1.28 1.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.59 1x52 h VAL 98 CO 0.52 0.02 0.11 0.77 -1.01 0.00 0.00 177.57 177.98 1x52 h SER 99 N 0.00 0.00 0.17 3.17 4.64 -1.91 0.11 113.55 119.72 1x52 h SER 99 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1x52 h SER 99 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1x52 h SER 99 CO 0.00 0.00 -0.08 1.23 -0.87 0.00 0.00 176.83 177.11 1x52 h GLY 100 N 0.00 -0.23 0.81 -0.77 0.00 -0.94 -0.87 103.07 101.06 1x52 h GLY 100 Ca 0.06 0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.54 1x52 h GLY 100 CO -0.00 -0.08 0.60 0.83 0.00 0.00 0.00 176.54 177.89 1x52 h GLU 101 N -0.68 1.02 0.83 4.80 5.08 -1.35 0.03 114.58 124.31 1x52 h GLU 101 Ca -0.02 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1x52 h GLU 101 Cb 0.49 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1x52 h GLU 101 CO 0.04 0.68 -0.40 1.96 -1.00 0.00 0.00 179.01 180.29 1x52 h GLN 102 N 1.05 -1.07 -0.33 2.33 4.20 -0.86 -2.96 115.11 117.47 1x52 h GLN 102 Ca 0.40 0.07 0.10 0.00 0.06 0.00 0.00 58.65 59.28 1x52 h GLN 102 Cb 0.21 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1x52 h GLN 102 CO -0.16 -0.71 0.25 1.25 -0.67 0.00 0.00 178.83 178.80 1x52 h LEU 103 N -1.14 0.00 -1.36 1.46 5.85 -0.35 -2.30 115.31 117.48 1x52 h LEU 103 Ca -0.11 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.73 1x52 h LEU 103 Cb 0.86 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 1x52 h LEU 103 CO 0.19 0.00 0.54 -1.28 -0.34 0.00 0.00 178.44 177.55 1x52 h SER 104 N 0.00 0.62 -0.37 1.25 0.87 -0.84 0.28 113.55 115.37 1x52 h SER 104 Ca 0.16 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.79 1x52 h SER 104 Cb 0.66 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1x52 h SER 104 CO -0.00 0.34 0.25 1.56 -0.53 0.00 0.00 176.83 178.44 1x52 h GLN 105 N 0.67 0.31 -0.66 2.24 4.20 -1.50 -1.59 115.11 118.78 1x52 h GLN 105 Ca 0.40 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 59.00 1x52 h GLN 105 Cb 0.62 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.27 1x52 h GLN 105 CO -0.16 0.21 0.12 1.28 -0.67 0.00 0.00 178.83 179.60 1x52 n LEU 106 N -4.48 5.92 0.00 1.46 4.77 0.66 -4.91 117.00 120.42 1x52 n LEU 106 Ca 0.04 -3.04 0.00 0.00 -0.03 0.00 0.00 56.01 52.98 1x52 n LEU 106 Cb 0.20 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1x52 n LEU 106 CO 0.35 0.70 0.00 0.35 -1.33 0.00 0.00 177.39 177.46 1x52 n THR 107 N 0.30 0.00 -1.10 -5.08 -2.24 -0.60 -3.24 114.28 102.32 1x52 n THR 107 Ca 0.34 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.08 1x52 n THR 107 Cb 1.29 -0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 68.97 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 -0.87 0.65 3.08 3.38 0.00 0.67 -4.87 105.19 107.22 1x52 n GLY 108 Ca 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.11 -0.38 0.24 1.61 0.11 -1.20 -0.87 120.40 117.80 1x52 s VAL 109 Ca 0.00 0.23 -0.11 0.00 -2.93 0.00 0.00 61.98 59.17 1x52 s VAL 109 Cb 0.00 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.35 1x52 s VAL 109 CO 0.00 0.10 0.42 0.00 -3.33 0.00 0.00 175.10 172.28 1x52 s ALA 110 N 2.23 0.02 0.03 1.54 0.00 -0.16 -1.12 121.76 124.30 1x52 s ALA 110 Ca -0.01 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 1x52 s ALA 110 Cb -0.12 1.13 0.01 0.00 0.00 0.00 0.00 23.12 24.14 1x52 s ALA 110 CO -0.10 -0.81 0.24 0.00 0.00 0.00 0.00 175.76 175.09 1x52 s ALA 111 N -4.04 -0.52 0.20 0.00 0.00 0.04 -0.79 121.76 116.65 1x52 s ALA 111 Ca 0.25 -0.09 -0.24 0.00 0.00 0.00 0.00 51.96 51.88 1x52 s ALA 111 Cb 0.01 0.25 -0.08 0.00 0.00 0.00 0.00 23.12 23.29 1x52 s ALA 111 CO 0.10 -0.35 0.78 0.42 0.00 0.00 0.00 175.76 176.71 1x52 s ILE 112 N -2.27 4.41 0.01 0.00 1.01 0.24 -1.77 121.20 122.82 1x52 s ILE 112 Ca -0.07 1.60 0.03 0.00 0.00 0.00 0.00 60.65 62.20 1x52 s ILE 112 Cb -0.02 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1x52 s ILE 112 CO -0.02 0.39 -0.03 -0.76 0.00 0.00 0.00 174.94 174.52 1x52 s LEU 113 N -1.48 3.35 0.22 2.97 1.43 0.06 -1.73 118.68 123.49 1x52 s LEU 113 Ca 0.39 -0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.35 1x52 s LEU 113 Cb -0.21 -1.94 0.19 0.00 0.03 0.00 0.00 46.19 44.26 1x52 s LEU 113 CO 0.24 0.27 1.70 0.03 0.23 0.00 0.00 176.35 178.82 1x52 h ARG 114 N 4.32 0.96 -3.92 1.70 3.08 -0.98 -3.46 114.38 116.07 1x52 h ARG 114 Ca -0.49 -0.28 -0.11 0.00 0.07 0.00 0.00 59.98 59.17 1x52 h ARG 114 Cb 1.17 -0.10 -0.16 0.00 0.08 0.00 0.00 29.97 30.96 1x52 h ARG 114 CO 0.56 0.94 -0.53 -0.59 -1.07 0.00 0.00 179.97 179.28 1x52 s PHE 115 N -5.02 0.27 0.06 3.04 -0.12 -1.26 -5.11 117.98 109.85 1x52 s PHE 115 Ca -0.11 -0.68 -0.31 0.00 -0.05 0.00 0.00 56.93 55.79 1x52 s PHE 115 Cb 0.14 -0.19 -0.07 0.00 -0.63 0.00 0.00 43.02 42.28 1x52 s PHE 115 CO 0.84 -0.42 1.38 -1.25 -0.05 0.00 0.00 175.22 175.72 1x52 s PRO 116 N -3.29 4.31 -0.24 1.99 0.04 -1.26 -4.73 135.00 131.83 1x52 s PRO 116 Ca 0.01 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 1x52 s PRO 116 Cb 0.03 -3.39 0.01 0.00 0.04 0.00 0.00 34.50 31.18 1x52 s PRO 116 CO -0.08 -0.48 1.02 0.08 0.04 0.00 0.00 177.00 177.59 1x52 s VAL 117 N 1.64 4.68 -1.52 -0.36 1.01 -1.10 -4.93 120.40 119.82 1x52 s VAL 117 Ca 0.64 1.95 -0.09 0.00 0.00 0.00 0.00 61.98 64.47 1x52 s VAL 117 Cb -0.34 -4.30 -0.08 0.00 0.00 0.00 0.00 36.38 31.65 1x52 s VAL 117 CO 0.29 -0.20 2.82 -0.81 0.00 0.00 0.00 175.10 177.20 1x52 n PRO 118 N 6.35 3.44 0.00 2.72 -0.04 -1.26 -3.30 135.00 142.91 1x52 n PRO 118 Ca 0.11 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 1x52 n PRO 118 Cb 0.46 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1x52 n PRO 118 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x52 n SER 119 N 3.73 2.64 -0.67 3.54 7.64 -1.26 -5.16 113.62 124.08 1x52 n SER 119 Ca 0.73 -0.05 0.08 0.00 1.01 0.00 0.00 58.87 60.65 1x52 n SER 119 Cb 0.22 0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 64.02 1x52 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x52 n GLY 120 N 1.42 -2.02 3.78 0.23 0.00 -1.21 -4.89 105.19 102.50 1x52 n GLY 120 Ca 0.00 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 1x52 n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x52 s PRO 121 N -1.36 2.29 0.25 1.61 0.04 -1.26 -4.97 135.00 131.60 1x52 s PRO 121 Ca 0.00 1.07 0.25 0.00 0.04 0.00 0.00 61.00 62.36 1x52 s PRO 121 Cb 0.00 -1.91 0.57 0.00 0.04 0.00 0.00 34.50 33.20 1x52 s PRO 121 CO 0.00 -1.59 1.62 1.03 0.04 0.00 0.00 177.00 178.10 1x52 h SER 122 N -1.08 0.00 -5.60 6.66 0.87 -1.95 -3.47 113.55 108.97 1x52 h SER 122 Ca -0.44 -0.04 0.26 0.00 -1.23 0.00 0.00 61.79 60.34 1x52 h SER 122 Cb 1.23 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.11 1x52 h SER 122 CO 0.53 0.02 0.71 -0.55 -0.53 0.00 0.00 176.83 177.01 1x52 s SER 123 N -4.94 -0.06 0.00 6.23 0.15 -1.26 -5.25 113.70 108.56 1x52 s SER 123 Ca 0.08 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1x52 s SER 123 Cb 0.11 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1x52 s SER 123 CO 0.65 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 175.11