#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 -8.44 -3.65 1.61 7.64 -1.26 -5.07 113.62 104.45 1x52 n SER 2 Ca 0.00 1.26 -0.23 0.00 1.01 0.00 0.00 58.87 60.91 1x52 n SER 2 Cb 0.00 -4.72 -0.17 0.00 -1.01 0.00 0.00 64.21 58.31 1x52 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x52 s SER 3 N -0.64 1.79 0.71 6.43 0.01 -1.26 -5.15 113.70 115.58 1x52 s SER 3 Ca 0.00 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1x52 s SER 3 Cb 0.00 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1x52 s SER 3 CO 0.00 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1x52 n GLY 4 N 5.27 -1.06 0.00 3.44 0.00 -1.26 -4.91 105.19 106.67 1x52 n GLY 4 Ca -0.05 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.13 0.00 -3.33 1.61 7.64 -1.26 -5.18 113.62 110.97 1x52 n SER 5 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1x52 n SER 5 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.00 0.36 0.00 6.43 1.04 -1.26 -5.07 113.70 115.21 1x52 s SER 6 Ca 0.00 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.21 1x52 s SER 6 Cb 0.00 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1x52 s SER 6 CO 0.00 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.43 1x52 n GLY 7 N -0.51 -0.33 3.40 7.32 0.00 -1.26 -5.12 105.19 108.68 1x52 n GLY 7 Ca -0.03 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.45 -0.01 0.00 2.61 -1.32 -1.26 -5.07 115.64 109.13 1x52 s THR 8 Ca 0.00 0.04 0.02 0.00 -1.21 0.00 0.00 61.69 60.55 1x52 s THR 8 Cb 0.00 -0.73 0.04 0.00 -1.51 0.00 0.00 72.50 70.30 1x52 s THR 8 CO 0.00 0.02 0.82 0.55 -2.21 0.00 0.00 174.62 173.80 1x52 n VAL 9 N 3.81 0.00 -4.74 5.08 3.14 -1.26 -5.12 118.33 119.25 1x52 n VAL 9 Ca -0.19 -0.09 -0.25 0.00 -2.96 0.00 0.00 64.34 60.85 1x52 n VAL 9 Cb 0.56 0.35 -0.16 0.00 -1.06 0.00 0.00 33.84 33.54 1x52 n VAL 9 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x52 s ALA 10 N 0.00 1.39 0.19 1.55 0.00 -1.26 -5.01 121.76 118.62 1x52 s ALA 10 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1x52 s ALA 10 Cb 0.04 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1x52 s ALA 10 CO -0.02 0.24 0.00 0.43 0.00 0.00 0.00 175.76 176.41 1x52 n SER 11 N 3.22 0.26 -2.95 0.00 7.64 -1.26 -5.11 113.62 115.41 1x52 n SER 11 Ca -0.18 0.32 -0.00 0.00 1.01 0.00 0.00 58.87 60.01 1x52 n SER 11 Cb 0.53 0.12 -0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1x52 n SER 11 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1x52 n ARG 12 N -3.38 -1.99 -2.08 1.43 0.00 -1.26 -4.99 116.66 104.38 1x52 n ARG 12 Ca 0.00 1.83 -0.32 0.00 -0.00 0.00 0.00 57.85 59.36 1x52 n ARG 12 Cb 0.03 -3.03 -0.00 0.00 0.00 0.00 0.00 32.46 29.46 1x52 n ARG 12 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1x52 s LEU 13 N -1.13 3.44 0.11 6.15 2.34 -1.26 -4.99 118.68 123.34 1x52 s LEU 13 Ca -0.02 1.61 0.00 0.00 0.06 0.00 0.00 54.13 55.78 1x52 s LEU 13 Cb 0.00 -4.51 0.00 0.00 -0.56 0.00 0.00 46.19 41.13 1x52 s LEU 13 CO 0.37 -0.92 0.00 -0.24 -1.06 0.00 0.00 176.35 174.51 1x52 n SER 14 N -2.15 -0.36 -4.03 1.48 2.88 -1.26 -5.04 113.62 105.14 1x52 n SER 14 Ca 0.07 0.19 -0.30 0.00 -1.33 0.00 0.00 58.87 57.50 1x52 n SER 14 Cb 0.54 0.47 0.22 0.00 -0.75 0.00 0.00 64.21 64.69 1x52 n SER 14 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x52 s ASP 15 N -4.30 1.52 0.00 -3.46 -1.08 -1.26 -4.90 116.67 103.19 1x52 s ASP 15 Ca 0.00 0.69 -0.10 0.00 -0.52 0.00 0.00 52.55 52.61 1x52 s ASP 15 Cb 0.00 -0.99 -0.06 0.00 -1.46 0.00 0.00 42.92 40.41 1x52 s ASP 15 CO 0.00 -3.76 0.78 0.74 0.52 0.00 0.00 175.17 173.46 1x52 h THR 16 N -2.33 0.00 0.11 1.71 2.02 -2.01 -3.20 112.91 109.20 1x52 h THR 16 Ca -0.47 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 1x52 h THR 16 Cb 1.30 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1x52 h THR 16 CO 0.40 0.00 -0.05 0.50 0.37 0.00 0.00 175.52 176.73 1x52 h LYS 17 N -0.54 -0.14 0.00 6.66 3.64 -2.01 -1.82 116.57 122.37 1x52 h LYS 17 Ca -0.04 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1x52 h LYS 17 Cb 0.29 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1x52 h LYS 17 CO 0.06 0.25 -0.01 0.00 -2.27 0.00 0.00 179.45 177.48 1x52 h ALA 18 N 0.27 1.55 0.00 5.00 0.00 -1.97 0.95 119.26 125.07 1x52 h ALA 18 Ca -0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1x52 h ALA 18 Cb 0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1x52 h ALA 18 CO 0.02 0.01 -0.37 0.00 0.00 0.00 0.00 179.25 178.92 1x52 h ALA 19 N 1.99 1.19 0.61 0.00 0.00 -1.34 -0.07 119.26 121.64 1x52 h ALA 19 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1x52 h ALA 19 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1x52 h ALA 19 CO 0.00 0.46 -0.41 0.78 0.00 0.00 0.00 179.25 180.08 1x52 h GLY 20 N 1.48 -1.08 0.72 0.00 0.00 -0.31 0.42 103.07 104.31 1x52 h GLY 20 Ca -0.00 0.46 0.03 0.00 0.00 0.00 0.00 47.33 47.81 1x52 h GLY 20 CO 0.05 -0.37 -0.05 0.83 0.00 0.00 0.00 176.54 176.99 1x52 h GLU 21 N -0.98 -0.04 -0.25 4.80 3.07 -1.43 -2.23 114.58 117.52 1x52 h GLU 21 Ca -0.07 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1x52 h GLU 21 Cb 0.80 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 1x52 h GLU 21 CO 0.05 -0.02 0.13 0.28 -1.40 0.00 0.00 179.01 178.05 1x52 h VAL 22 N -0.04 1.00 0.12 3.13 2.07 -0.94 0.75 116.25 122.34 1x52 h VAL 22 Ca 0.06 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1x52 h VAL 22 Cb 0.13 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1x52 h VAL 22 CO -0.14 0.05 -0.32 0.50 0.02 0.00 0.00 177.57 177.68 1x52 h LYS 23 N 0.28 -0.52 -0.03 1.57 3.11 -0.81 0.11 116.57 120.28 1x52 h LYS 23 Ca 0.10 0.04 0.01 0.00 -2.81 0.00 0.00 60.65 57.99 1x52 h LYS 23 Cb 0.02 0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.37 1x52 h LYS 23 CO -0.07 -0.35 0.03 0.00 -2.81 0.00 0.00 179.45 176.25 1x52 h ALA 24 N 0.11 1.84 0.11 5.00 0.00 -1.02 0.27 119.26 125.56 1x52 h ALA 24 Ca 0.03 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1x52 h ALA 24 Cb 0.58 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1x52 h ALA 24 CO -0.19 -0.04 -0.62 1.25 0.00 0.00 0.00 179.25 179.65 1x52 h LEU 25 N 0.00 0.35 -0.37 0.00 5.85 -0.36 -3.03 115.31 117.74 1x52 h LEU 25 Ca 0.01 -0.96 0.06 0.00 0.84 0.00 0.00 57.88 57.83 1x52 h LEU 25 Cb 0.07 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 1x52 h LEU 25 CO -0.00 1.30 0.02 -0.78 -0.34 0.00 0.00 178.44 178.64 1x52 h ASP 26 N -0.53 -0.10 -0.22 1.25 3.58 -0.05 0.83 116.42 121.17 1x52 h ASP 26 Ca -0.11 0.08 -0.20 0.00 0.42 0.00 0.00 57.03 57.22 1x52 h ASP 26 Cb 1.48 0.13 0.01 0.00 1.72 0.00 0.00 39.33 42.67 1x52 h ASP 26 CO 0.11 -0.02 -0.64 -0.78 -2.88 0.00 0.00 179.24 175.03 1x52 h ASP 27 N 0.13 0.95 0.39 2.28 3.58 -1.13 -1.72 116.42 120.90 1x52 h ASP 27 Ca 0.18 -0.58 -0.02 0.00 0.42 0.00 0.00 57.03 57.04 1x52 h ASP 27 Cb 0.24 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.01 1x52 h ASP 27 CO -0.28 1.36 -0.22 0.15 -2.88 0.00 0.00 179.24 177.37 1x52 h PHE 28 N 0.59 -0.58 -0.86 0.28 3.57 -1.36 -2.80 116.94 115.78 1x52 h PHE 28 Ca -0.02 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.52 1x52 h PHE 28 Cb 1.27 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 40.16 1x52 h PHE 28 CO 0.08 -0.35 0.56 1.88 -2.23 0.00 0.00 178.31 178.26 1x52 h TYR 29 N -0.58 1.01 -0.06 0.41 0.05 -0.77 -0.20 116.97 116.84 1x52 h TYR 29 Ca -0.05 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.80 1x52 h TYR 29 Cb 0.47 -0.34 -0.06 0.00 1.01 0.00 0.00 36.73 37.81 1x52 h TYR 29 CO -0.08 0.57 -0.42 -0.22 -1.05 0.00 0.00 178.16 176.96 1x52 h LYS 30 N 1.03 -0.52 -0.92 4.88 3.64 -1.18 -1.75 116.57 121.76 1x52 h LYS 30 Ca 0.35 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.79 1x52 h LYS 30 Cb 0.10 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 1x52 h LYS 30 CO -0.11 -0.34 0.61 0.52 -2.27 0.00 0.00 179.45 177.85 1x52 h MET 31 N -0.54 1.18 -0.40 1.90 2.86 -1.05 -0.72 114.93 118.17 1x52 h MET 31 Ca 0.06 -0.07 0.11 0.00 -2.06 0.00 0.00 59.70 57.74 1x52 h MET 31 Cb 0.64 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1x52 h MET 31 CO -0.35 0.78 0.42 1.25 1.06 0.00 0.00 176.91 180.07 1x52 h LEU 32 N 1.21 0.00 0.00 1.22 5.85 -0.17 -0.23 115.31 123.19 1x52 h LEU 32 Ca 0.35 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.75 1x52 h LEU 32 Cb -0.09 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1x52 h LEU 32 CO -0.09 0.00 -1.88 0.00 -0.34 0.00 0.00 178.44 176.14 1x52 n GLN 33 N -3.75 0.57 0.10 1.25 1.13 -0.90 -4.45 117.38 111.33 1x52 n GLN 33 Ca 0.07 0.37 -0.05 0.00 -1.94 0.00 0.00 57.00 55.45 1x52 n GLN 33 Cb 0.59 -1.58 -0.02 0.00 0.11 0.00 0.00 30.24 29.34 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 -0.27 -2.61 1.08 3.86 -0.51 -3.42 115.15 112.28 1x52 h HIS 34 Ca -0.48 -0.01 -0.60 0.00 -1.16 0.00 0.00 60.37 58.12 1x52 h HIS 34 Cb 1.39 0.09 -0.39 0.00 1.06 0.00 0.00 27.41 29.56 1x52 h HIS 34 CO -0.07 -0.17 -0.85 -1.83 0.86 0.00 0.00 177.93 175.86 1x52 s GLU 35 N -2.64 1.28 0.28 2.45 -1.05 -0.18 -4.98 118.70 113.86 1x52 s GLU 35 Ca -0.04 -2.34 0.21 0.00 -0.15 0.00 0.00 54.97 52.65 1x52 s GLU 35 Cb 0.00 -1.96 1.03 0.00 -0.44 0.00 0.00 34.13 32.76 1x52 s GLU 35 CO 0.13 -1.33 1.65 -0.35 0.95 0.00 0.00 175.26 176.30 1x52 n PRO 36 N 2.79 0.15 0.18 -4.83 -0.04 -0.72 -1.07 135.00 131.46 1x52 n PRO 36 Ca 0.24 0.54 0.18 0.00 -0.04 0.00 0.00 63.50 64.43 1x52 n PRO 36 Cb 0.43 -1.90 0.76 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.47 3.54 5.19 -1.92 0.20 116.42 122.96 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 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 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 -3.42 3.21 -3.55 3.56 1.74 -0.23 -2.58 116.66 115.39 1x52 n ARG 38 Ca 0.04 -2.59 -0.29 0.00 -0.77 0.00 0.00 57.85 54.24 1x52 n ARG 38 Cb 0.54 -1.65 -0.13 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.72 1.27 -0.02 7.54 0.00 0.06 -1.33 121.76 127.56 1x52 s ALA 39 Ca 0.40 -2.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.20 1x52 s ALA 39 Cb 0.26 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 1x52 s ALA 39 CO 0.19 -2.05 0.40 -0.06 0.00 0.00 0.00 175.76 174.23 1x52 s PHE 40 N 0.95 3.69 0.05 0.00 0.40 -0.98 -4.88 117.98 117.22 1x52 s PHE 40 Ca 0.17 0.95 -0.00 0.00 -0.60 0.00 0.00 56.93 57.44 1x52 s PHE 40 Cb -0.23 -2.30 -0.04 0.00 0.51 0.00 0.00 43.02 40.97 1x52 s PHE 40 CO -0.02 0.59 -0.04 1.52 0.70 0.00 0.00 175.22 177.98 1x52 s TYR 41 N -0.87 0.54 0.00 0.36 1.13 -1.26 -0.79 117.35 116.46 1x52 s TYR 41 Ca 0.23 -0.98 0.00 0.00 -1.41 0.00 0.00 57.07 54.91 1x52 s TYR 41 Cb -0.16 -0.38 0.00 0.00 -1.10 0.00 0.00 41.96 40.31 1x52 s TYR 41 CO 0.12 -0.33 0.00 0.41 -2.51 0.00 0.00 175.55 173.25 1x52 n GLY 42 N 0.27 -3.11 0.30 5.49 0.00 -0.24 -4.29 105.19 103.61 1x52 n GLY 42 Ca -0.15 -1.07 0.06 0.00 0.00 0.00 0.00 46.02 44.87 1x52 n GLY 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x52 h LEU 43 N 0.00 -0.49 -0.57 0.99 5.85 -1.92 -0.70 115.31 118.47 1x52 h LEU 43 Ca 0.00 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1x52 h LEU 43 Cb 0.00 0.42 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1x52 h LEU 43 CO 0.00 -0.24 0.35 0.50 -0.34 0.00 0.00 178.44 178.71 1x52 h LYS 44 N 0.06 0.77 0.72 1.25 3.64 -1.99 0.17 116.57 121.19 1x52 h LYS 44 Ca 0.45 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.73 1x52 h LYS 44 Cb 0.80 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1x52 h LYS 44 CO -0.77 0.55 -0.34 1.96 -2.27 0.00 0.00 179.45 178.57 1x52 h GLN 45 N 0.77 -0.93 -0.96 1.90 4.20 -1.33 -2.99 115.11 115.77 1x52 h GLN 45 Ca 0.21 0.06 0.14 0.00 0.06 0.00 0.00 58.65 59.12 1x52 h GLN 45 Cb -0.03 0.21 -0.08 0.00 0.30 0.00 0.00 27.48 27.88 1x52 h GLN 45 CO -0.04 -0.59 0.61 0.28 -0.67 0.00 0.00 178.83 178.42 1x52 h VAL 46 N -1.15 0.84 -0.75 -0.54 2.07 -1.14 0.76 116.25 116.34 1x52 h VAL 46 Ca -0.10 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.18 1x52 h VAL 46 Cb 0.76 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1x52 h VAL 46 CO 0.16 0.15 0.49 -0.33 0.02 0.00 0.00 177.57 178.07 1x52 h GLU 47 N 0.82 0.85 -0.11 1.57 5.08 -0.65 0.84 114.58 122.97 1x52 h GLU 47 Ca 0.49 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.75 1x52 h GLU 47 Cb 0.67 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1x52 h GLU 47 CO -0.26 0.56 -0.14 -0.22 -1.00 0.00 0.00 179.01 177.94 1x52 h LYS 48 N 0.87 0.29 -0.44 2.33 1.63 -0.73 -3.07 116.57 117.45 1x52 h LYS 48 Ca 0.31 -0.17 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 1x52 h LYS 48 Cb 0.12 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 1x52 h LYS 48 CO -0.10 0.73 0.08 0.00 -3.45 0.00 0.00 179.45 176.71 1x52 h ALA 49 N 0.56 1.32 -0.48 5.00 0.00 -0.73 -1.75 119.26 123.19 1x52 h ALA 49 Ca 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1x52 h ALA 49 Cb 0.69 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1x52 h ALA 49 CO 0.03 0.48 0.24 -0.97 0.00 0.00 0.00 179.25 179.03 1x52 h ASN 50 N 0.64 0.62 0.40 0.00 -1.24 -0.87 -0.76 115.58 114.37 1x52 h ASN 50 Ca 0.14 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 1x52 h ASN 50 Cb 0.29 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.18 1x52 h ASN 50 CO 0.00 0.56 -0.04 -0.33 -1.29 0.00 0.00 177.43 176.33 1x52 h GLU 51 N 0.63 0.00 -0.00 6.67 5.08 -1.40 -1.05 114.58 124.51 1x52 h GLU 51 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1x52 h GLU 51 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1x52 h GLU 51 CO -0.02 0.04 -0.02 0.00 -1.00 0.00 0.00 179.01 178.01 1x52 n ALA 52 N -2.17 2.47 -3.89 3.43 0.00 -0.34 -4.94 120.51 115.07 1x52 n ALA 52 Ca -0.02 -0.14 -0.27 0.00 0.00 0.00 0.00 53.44 53.01 1x52 n ALA 52 Cb 0.19 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.36 -4.78 0.00 0.00 2.81 -0.40 -4.88 117.12 108.52 1x52 n MET 53 Ca 0.11 0.55 0.00 0.00 -1.81 0.00 0.00 57.70 56.56 1x52 n MET 53 Cb 0.28 -5.22 -0.00 0.00 -0.71 0.00 0.00 33.22 27.58 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 -4.49 2.01 -2.58 3.04 0.00 -1.20 -5.01 120.51 112.28 1x52 n ALA 54 Ca -0.11 -0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 1x52 n ALA 54 Cb 0.59 -0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.00 4.01 0.04 0.00 1.01 -1.26 -0.33 121.20 123.66 1x52 s ILE 55 Ca 0.00 0.88 -0.26 0.00 0.00 0.00 0.00 60.65 61.27 1x52 s ILE 55 Cb 0.00 -4.73 -0.17 0.00 0.01 0.00 0.00 42.46 37.57 1x52 s ILE 55 CO 0.00 -1.36 1.44 -0.78 0.00 0.00 0.00 174.94 174.25 1x52 h ASP 56 N 9.56 -0.28 -3.85 3.58 3.58 -1.70 -3.39 116.42 123.92 1x52 h ASP 56 Ca -0.25 -0.14 -0.17 0.00 0.42 0.00 0.00 57.03 56.90 1x52 h ASP 56 Cb 1.06 0.07 -0.26 0.00 1.72 0.00 0.00 39.33 41.92 1x52 h ASP 56 CO 1.19 -0.02 -0.44 -0.89 -2.88 0.00 0.00 179.24 176.20 1x52 s THR 57 N -5.26 0.00 -0.09 2.25 2.01 -1.25 -3.43 115.64 109.88 1x52 s THR 57 Ca -0.15 -0.02 -0.00 0.00 0.31 0.00 0.00 61.69 61.83 1x52 s THR 57 Cb 0.03 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 1x52 s THR 57 CO 0.61 -0.01 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.25 1x52 s LEU 58 N 0.09 3.23 -0.12 4.42 2.96 -0.56 -0.78 118.68 127.92 1x52 s LEU 58 Ca -0.00 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 1x52 s LEU 58 Cb -0.02 -1.72 -0.00 0.00 0.50 0.00 0.00 46.19 44.95 1x52 s LEU 58 CO 0.00 0.32 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.39 1x52 s LEU 59 N -0.57 2.26 -0.04 -0.68 1.43 0.47 -2.39 118.68 119.15 1x52 s LEU 59 Ca 0.09 -0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 1x52 s LEU 59 Cb -0.12 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.64 1x52 s LEU 59 CO 0.02 0.14 0.17 -0.51 0.23 0.00 0.00 176.35 176.40 1x52 s ILE 60 N 0.44 0.03 0.37 -0.59 2.07 -1.11 -1.33 121.20 121.08 1x52 s ILE 60 Ca -0.15 -0.24 -0.26 0.00 -1.41 0.00 0.00 60.65 58.59 1x52 s ILE 60 Cb -0.17 -0.32 -0.09 0.00 0.13 0.00 0.00 42.46 42.01 1x52 s ILE 60 CO 0.06 -0.13 1.16 -0.55 -1.91 0.00 0.00 174.94 173.57 1x52 s SER 61 N -0.42 6.72 0.23 4.50 0.15 -0.10 -0.83 113.70 123.95 1x52 s SER 61 Ca -0.05 2.35 -0.06 0.00 0.70 0.00 0.00 55.95 58.89 1x52 s SER 61 Cb -0.03 -2.62 0.32 0.00 -1.71 0.00 0.00 66.02 61.98 1x52 s SER 61 CO 0.01 -0.54 1.83 -2.24 1.20 0.00 0.00 173.24 173.50 1x52 h ASP 62 N 2.95 0.70 -0.05 5.45 2.03 -1.66 -1.94 116.42 123.91 1x52 h ASP 62 Ca -0.48 0.03 0.01 0.00 -0.73 0.00 0.00 57.03 55.86 1x52 h ASP 62 Cb 1.23 -0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 39.61 1x52 h ASP 62 CO 0.64 0.44 0.30 1.05 -1.03 0.00 0.00 179.24 180.63 1x52 h GLU 63 N 0.83 0.00 0.05 4.15 4.11 -1.91 0.14 114.58 121.96 1x52 h GLU 63 Ca 0.36 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.47 1x52 h GLU 63 Cb 0.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1x52 h GLU 63 CO -0.20 0.00 -1.76 1.28 0.07 0.00 0.00 179.01 178.41 1x52 n LEU 64 N -3.03 2.26 -0.16 3.06 4.77 -0.77 -2.17 117.00 120.96 1x52 n LEU 64 Ca -0.01 0.29 0.28 0.00 -0.03 0.00 0.00 56.01 56.54 1x52 n LEU 64 Cb 0.36 -1.01 0.72 0.00 -2.33 0.00 0.00 43.42 41.16 1x52 n LEU 64 CO 0.16 0.58 1.26 0.15 -1.33 0.00 0.00 177.39 178.21 1x52 h PHE 65 N -0.50 0.00 -0.09 -1.77 3.57 -0.51 -1.94 116.94 115.70 1x52 h PHE 65 Ca -0.43 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 60.96 1x52 h PHE 65 Cb 1.67 0.00 -0.17 0.00 2.79 0.00 0.00 35.95 40.23 1x52 h PHE 65 CO 0.07 0.00 -0.72 2.89 -2.23 0.00 0.00 178.31 178.32 1x52 n ARG 66 N -4.27 1.30 -1.55 1.11 1.85 0.27 -4.70 116.66 110.68 1x52 n ARG 66 Ca 0.18 -3.00 -0.39 0.00 -1.00 0.00 0.00 57.85 53.63 1x52 n ARG 66 Cb 0.93 -1.19 0.03 0.00 -1.05 0.00 0.00 32.46 31.18 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 -0.58 0.26 0.13 2.89 -0.00 -0.73 -4.90 115.22 112.30 1x52 n HIS 67 Ca 0.17 0.48 -0.00 0.00 0.46 0.00 0.00 57.72 58.83 1x52 n HIS 67 Cb 0.86 -2.08 0.28 0.00 -0.12 0.00 0.00 29.99 28.92 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 0.68 0.13 -5.61 1.57 -0.00 -1.92 -3.41 115.11 106.54 1x52 h GLN 68 Ca -0.46 -0.06 -0.61 0.00 -0.00 0.00 0.00 58.65 57.53 1x52 h GLN 68 Cb 1.37 -0.00 -0.11 0.00 -0.00 0.00 0.00 27.48 28.74 1x52 h GLN 68 CO 0.51 0.51 0.25 0.34 -0.00 0.00 0.00 178.83 180.45 1x52 s ASP 69 N -6.90 6.60 0.49 0.06 -1.08 -1.26 -4.96 116.67 109.63 1x52 s ASP 69 Ca -0.04 0.63 0.14 0.00 -0.52 0.00 0.00 52.55 52.77 1x52 s ASP 69 Cb 0.14 -2.36 1.16 0.00 -1.46 0.00 0.00 42.92 40.40 1x52 s ASP 69 CO 0.75 -0.49 2.11 0.58 0.52 0.00 0.00 175.17 178.64 1x52 h VAL 70 N 5.51 1.04 0.32 1.11 2.07 -1.98 0.23 116.25 124.54 1x52 h VAL 70 Ca -0.26 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1x52 h VAL 70 Cb 1.11 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1x52 h VAL 70 CO 0.82 0.04 -0.15 0.00 0.02 0.00 0.00 177.57 178.30 1x52 h ALA 71 N 1.93 -0.43 0.05 1.67 0.00 -1.95 -0.26 119.26 120.27 1x52 h ALA 71 Ca 0.02 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1x52 h ALA 71 Cb 0.04 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1x52 h ALA 71 CO -0.00 -0.63 -0.09 1.15 0.00 0.00 0.00 179.25 179.68 1x52 h THR 72 N -0.66 0.78 -0.19 0.00 2.02 -1.84 -2.78 112.91 110.25 1x52 h THR 72 Ca -0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1x52 h THR 72 Cb 0.46 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1x52 h THR 72 CO 0.07 0.00 0.05 -0.09 0.37 0.00 0.00 175.52 175.92 1x52 h ARG 73 N -0.18 0.13 -0.77 6.66 2.43 -0.61 -2.70 114.38 119.35 1x52 h ARG 73 Ca 0.02 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.31 1x52 h ARG 73 Cb 0.20 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 1x52 h ARG 73 CO -0.06 0.09 0.51 0.77 -1.51 0.00 0.00 179.97 179.76 1x52 h SER 74 N 0.14 0.52 0.18 -3.80 0.02 -0.85 -1.04 113.55 108.72 1x52 h SER 74 Ca 0.08 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1x52 h SER 74 Cb 0.06 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1x52 h SER 74 CO -0.10 0.29 -0.09 0.03 -1.14 0.00 0.00 176.83 175.83 1x52 h ARG 75 N 0.56 -0.23 0.14 3.45 3.08 -1.21 0.38 114.38 120.55 1x52 h ARG 75 Ca 0.37 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.43 1x52 h ARG 75 Cb 0.66 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1x52 h ARG 75 CO -0.14 -0.12 -0.07 1.88 -1.07 0.00 0.00 179.97 180.45 1x52 h TYR 76 N -0.28 -0.18 -0.57 3.04 0.05 -1.15 -0.76 116.97 117.12 1x52 h TYR 76 Ca -0.02 -0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.70 1x52 h TYR 76 Cb 0.22 0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 1x52 h TYR 76 CO -0.05 -0.08 0.14 -0.39 -1.05 0.00 0.00 178.16 176.73 1x52 h VAL 77 N -0.23 1.23 0.24 -2.88 -1.51 -1.21 0.07 116.25 111.96 1x52 h VAL 77 Ca -0.02 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1x52 h VAL 77 Cb 0.18 0.64 -0.01 0.00 -2.13 0.00 0.00 31.29 29.96 1x52 h VAL 77 CO 0.03 0.31 -0.21 0.03 -1.23 0.00 0.00 177.57 176.51 1x52 h ARG 78 N 0.85 -0.45 -0.22 5.19 2.47 -0.75 -0.14 114.38 121.33 1x52 h ARG 78 Ca 0.19 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.95 1x52 h ARG 78 Cb 0.30 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1x52 h ARG 78 CO -0.00 -0.30 0.11 1.25 0.56 0.00 0.00 179.97 181.59 1x52 h LEU 79 N -0.46 0.17 -0.47 3.04 5.85 -0.88 -0.20 115.31 122.35 1x52 h LEU 79 Ca -0.01 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1x52 h LEU 79 Cb 0.42 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1x52 h LEU 79 CO -0.03 0.13 0.12 0.58 -0.34 0.00 0.00 178.44 178.90 1x52 h VAL 80 N 0.23 0.78 -0.34 1.05 2.07 -0.82 0.04 116.25 119.26 1x52 h VAL 80 Ca 0.09 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1x52 h VAL 80 Cb 0.02 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1x52 h VAL 80 CO -0.06 0.05 -0.14 0.44 0.02 0.00 0.00 177.57 177.88 1x52 h ASP 81 N 0.26 0.70 0.61 0.57 3.32 -0.68 -3.23 116.42 117.98 1x52 h ASP 81 Ca 0.23 -0.39 -0.14 0.00 0.02 0.00 0.00 57.03 56.75 1x52 h ASP 81 Cb 0.28 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1x52 h ASP 81 CO -0.28 0.94 -0.65 -1.28 -1.72 0.00 0.00 179.24 176.26 1x52 h SER 82 N 0.46 0.04 -0.82 6.45 0.87 -0.69 -2.58 113.55 117.29 1x52 h SER 82 Ca 0.08 -0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.71 1x52 h SER 82 Cb 0.66 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.54 1x52 h SER 82 CO 0.04 0.67 0.47 0.58 -0.53 0.00 0.00 176.83 178.06 1x52 h VAL 83 N 0.02 0.91 -0.62 2.23 2.07 -1.01 -0.26 116.25 119.60 1x52 h VAL 83 Ca -0.01 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 1x52 h VAL 83 Cb 1.14 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1x52 h VAL 83 CO 0.09 0.14 0.06 0.11 0.02 0.00 0.00 177.57 177.99 1x52 h LYS 84 N 0.79 1.03 0.00 1.57 1.57 -1.52 0.13 116.57 120.14 1x52 h LYS 84 Ca 0.39 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1x52 h LYS 84 Cb 0.35 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1x52 h LYS 84 CO -0.24 0.98 -0.18 0.93 -0.57 0.00 0.00 179.45 180.36 1x52 h GLU 85 N 0.96 0.00 -1.40 3.15 5.08 -1.20 -2.87 114.58 118.30 1x52 h GLU 85 Ca 0.18 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.83 1x52 h GLU 85 Cb 0.47 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.44 1x52 h GLU 85 CO 0.02 0.18 0.90 0.09 -1.00 0.00 0.00 179.01 179.19 1x52 n ASN 86 N -3.69 7.55 0.00 1.42 4.13 -0.20 -4.88 115.26 119.59 1x52 n ASN 86 Ca -0.01 -3.81 0.00 0.00 1.68 0.00 0.00 54.58 52.44 1x52 n ASN 86 Cb 0.30 -0.99 0.00 0.00 -1.54 0.00 0.00 39.78 37.54 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 -0.76 0.00 -2.04 5.41 0.00 -1.08 -4.78 120.51 117.26 1x52 n ALA 87 Ca 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.92 1x52 n ALA 87 Cb 0.50 -1.16 0.07 0.00 0.00 0.00 0.00 19.45 18.86 1x52 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x52 n GLY 88 N -0.41 -0.05 3.16 0.00 0.00 0.40 -4.96 105.19 103.34 1x52 n GLY 88 Ca 0.00 -1.88 -0.18 0.00 0.00 0.00 0.00 46.02 43.96 1x52 n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x52 s THR 89 N -1.68 1.09 0.06 2.61 2.01 -1.22 -4.25 115.64 114.26 1x52 s THR 89 Ca 0.32 -1.25 0.06 0.00 0.31 0.00 0.00 61.69 61.13 1x52 s THR 89 Cb -0.01 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 1x52 s THR 89 CO 0.22 -0.20 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.16 1x52 s VAL 90 N -1.21 3.35 -0.12 3.82 1.01 -1.26 -1.50 120.40 124.49 1x52 s VAL 90 Ca -0.02 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 1x52 s VAL 90 Cb -0.10 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.83 1x52 s VAL 90 CO 0.02 0.25 0.27 -0.13 0.00 0.00 0.00 175.10 175.51 1x52 s ARG 91 N -1.80 0.21 -0.17 2.72 1.81 -1.01 -4.92 118.95 115.79 1x52 s ARG 91 Ca 0.19 0.63 -0.00 0.00 -1.72 0.00 0.00 55.73 54.83 1x52 s ARG 91 Cb -0.11 -0.08 -0.00 0.00 -0.45 0.00 0.00 34.95 34.31 1x52 s ARG 91 CO 0.10 -0.20 -0.14 0.42 -0.68 0.00 0.00 175.30 174.80 1x52 s ILE 92 N 1.67 2.71 0.49 1.52 -1.09 -1.26 -2.76 121.20 122.49 1x52 s ILE 92 Ca -0.06 -0.74 -0.02 0.00 -2.23 0.00 0.00 60.65 57.60 1x52 s ILE 92 Cb -0.11 -2.16 -0.00 0.00 -1.58 0.00 0.00 42.46 38.61 1x52 s ILE 92 CO -0.09 0.50 0.74 -0.36 -1.23 0.00 0.00 174.94 174.51 1x52 s PHE 93 N 0.98 3.24 -0.13 3.97 0.40 -0.01 -4.94 117.98 121.48 1x52 s PHE 93 Ca -0.02 0.37 -0.05 0.00 -0.60 0.00 0.00 56.93 56.62 1x52 s PHE 93 Cb -0.15 -2.44 -0.04 0.00 0.51 0.00 0.00 43.02 40.90 1x52 s PHE 93 CO -0.02 -0.50 0.07 -1.12 0.70 0.00 0.00 175.22 174.35 1x52 s SER 94 N -4.24 5.78 0.56 1.36 0.01 -1.26 -1.70 113.70 114.21 1x52 s SER 94 Ca 0.50 0.24 0.30 0.00 1.31 0.00 0.00 55.95 58.30 1x52 s SER 94 Cb -0.10 -1.84 1.46 0.00 0.21 0.00 0.00 66.02 65.75 1x52 s SER 94 CO 0.40 0.32 1.89 -1.28 0.41 0.00 0.00 173.24 174.99 1x52 h SER 95 N 5.59 0.00 0.48 2.44 0.87 -1.93 -1.12 113.55 119.88 1x52 h SER 95 Ca -0.48 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.03 1x52 h SER 95 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 1x52 h SER 95 CO 0.61 0.00 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.60 1x52 h LEU 96 N 0.00 0.00-10.29 2.23 3.38 -1.96 -3.40 115.31 105.27 1x52 h LEU 96 Ca 0.34 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.81 1x52 h LEU 96 Cb 1.49 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.28 1x52 h LEU 96 CO -0.00 0.24 0.24 -2.28 0.09 0.00 0.00 178.44 176.72 1x52 s HIS 97 N -4.08 3.57 0.22 1.13 2.46 -0.42 -4.95 115.29 113.22 1x52 s HIS 97 Ca -0.02 1.06 -0.08 0.00 0.47 0.00 0.00 55.06 56.49 1x52 s HIS 97 Cb 0.13 -2.50 0.19 0.00 -0.13 0.00 0.00 32.58 30.26 1x52 s HIS 97 CO 0.65 -0.41 1.85 -0.24 -2.47 0.00 0.00 174.74 174.12 1x52 h VAL 98 N 0.21 1.25 0.00 0.89 3.04 -1.90 0.37 116.25 120.10 1x52 h VAL 98 Ca -0.46 -0.60 -0.00 0.00 -1.01 0.00 0.00 66.70 64.64 1x52 h VAL 98 Cb 1.20 0.09 -0.00 0.00 -2.01 0.00 0.00 31.29 30.57 1x52 h VAL 98 CO 0.62 0.27 -0.00 0.28 -1.01 0.00 0.00 177.57 177.73 1x52 h SER 99 N 1.18 0.00 0.13 3.17 0.02 -1.93 -0.13 113.55 115.98 1x52 h SER 99 Ca 0.30 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 1x52 h SER 99 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1x52 h SER 99 CO -0.05 0.00 -0.06 1.23 -1.14 0.00 0.00 176.83 176.81 1x52 h GLY 100 N 0.01 -0.18 2.00 -3.77 0.00 -1.08 -1.34 103.07 98.72 1x52 h GLY 100 Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1x52 h GLY 100 CO 0.00 -0.07 -0.15 1.05 0.00 0.00 0.00 176.54 177.37 1x52 h GLU 101 N -0.76 0.00 -0.21 4.80 4.11 -0.81 0.16 114.58 121.87 1x52 h GLU 101 Ca -0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.36 1x52 h GLU 101 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1x52 h GLU 101 CO 0.03 0.15 -0.06 1.96 0.07 0.00 0.00 179.01 181.17 1x52 h GLN 102 N 0.00 0.40 -0.37 1.06 4.20 -1.10 -2.88 115.11 116.43 1x52 h GLN 102 Ca -0.00 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 1x52 h GLN 102 Cb 0.33 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1x52 h GLN 102 CO 0.02 0.66 0.06 1.25 -0.67 0.00 0.00 178.83 180.15 1x52 h LEU 103 N 0.12 0.52 -1.17 1.46 5.85 -0.20 -2.90 115.31 118.99 1x52 h LEU 103 Ca 0.05 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1x52 h LEU 103 Cb 0.51 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1x52 h LEU 103 CO 0.02 0.54 0.58 -1.28 -0.34 0.00 0.00 178.44 177.96 1x52 h SER 104 N 0.54 0.90 -0.15 1.25 0.87 -0.58 0.27 113.55 116.66 1x52 h SER 104 Ca 0.12 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.73 1x52 h SER 104 Cb 0.26 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1x52 h SER 104 CO 0.00 0.59 0.26 1.56 -0.53 0.00 0.00 176.83 178.72 1x52 h GLN 105 N 1.03 0.00 -0.18 2.24 4.20 -1.30 -1.28 115.11 119.83 1x52 h GLN 105 Ca 0.37 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.97 1x52 h GLN 105 Cb 0.14 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.85 1x52 h GLN 105 CO -0.13 0.00 -0.38 1.28 -0.67 0.00 0.00 178.83 178.93 1x52 n LEU 106 N -3.44 3.38 -1.07 1.46 4.77 0.57 -4.96 117.00 117.71 1x52 n LEU 106 Ca 0.01 -3.94 -0.14 0.00 -0.03 0.00 0.00 56.01 51.91 1x52 n LEU 106 Cb 0.37 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 1x52 n LEU 106 CO 0.23 1.42 -0.13 0.35 -1.33 0.00 0.00 177.39 177.92 1x52 n THR 107 N -1.09 0.00 -1.30 -5.08 -2.24 -0.48 -3.44 114.28 100.65 1x52 n THR 107 Ca 0.26 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.93 1x52 n THR 107 Cb 0.82 -1.50 -0.04 0.00 -2.10 0.00 0.00 70.33 67.51 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 -1.20 1.04 2.85 3.38 0.00 0.65 -4.88 105.19 107.03 1x52 n GLY 108 Ca -0.14 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.17 0.29 1.61 0.11 -1.22 -0.92 120.40 118.09 1x52 s VAL 109 Ca 0.00 0.29 -0.05 0.00 -2.93 0.00 0.00 61.98 59.29 1x52 s VAL 109 Cb 0.00 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 1x52 s VAL 109 CO 0.00 0.12 0.41 0.00 -3.33 0.00 0.00 175.10 172.30 1x52 s ALA 110 N 1.82 0.54 -0.16 1.54 0.00 -0.44 -1.08 121.76 123.97 1x52 s ALA 110 Ca -0.02 -1.36 -0.29 0.00 0.00 0.00 0.00 51.96 50.30 1x52 s ALA 110 Cb -0.12 1.18 0.10 0.00 0.00 0.00 0.00 23.12 24.28 1x52 s ALA 110 CO -0.05 -0.77 0.86 0.00 0.00 0.00 0.00 175.76 175.79 1x52 s ALA 111 N -3.58 -1.87 0.41 0.00 0.00 0.03 -0.40 121.76 116.35 1x52 s ALA 111 Ca 0.30 1.62 -0.15 0.00 0.00 0.00 0.00 51.96 53.73 1x52 s ALA 111 Cb 0.01 -0.69 -0.08 0.00 0.00 0.00 0.00 23.12 22.36 1x52 s ALA 111 CO 0.15 -0.32 0.83 0.42 0.00 0.00 0.00 175.76 176.84 1x52 s ILE 112 N -0.67 4.64 0.05 0.00 1.01 0.04 -2.33 121.20 123.94 1x52 s ILE 112 Ca -0.04 0.98 0.07 0.00 0.00 0.00 0.00 60.65 61.66 1x52 s ILE 112 Cb -0.02 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1x52 s ILE 112 CO 0.03 -0.42 -0.16 -0.76 0.00 0.00 0.00 174.94 173.63 1x52 s LEU 113 N -3.52 2.71 0.09 2.97 1.43 -0.45 -1.96 118.68 119.95 1x52 s LEU 113 Ca 0.55 -0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 53.06 1x52 s LEU 113 Cb -0.10 -1.57 -0.08 0.00 0.03 0.00 0.00 46.19 44.47 1x52 s LEU 113 CO 0.24 0.25 1.59 0.03 0.23 0.00 0.00 176.35 178.68 1x52 h ARG 114 N 4.41 0.38 -4.30 1.70 3.08 -1.00 -3.45 114.38 115.20 1x52 h ARG 114 Ca -0.48 -0.09 -0.20 0.00 0.07 0.00 0.00 59.98 59.28 1x52 h ARG 114 Cb 1.16 -0.05 -0.19 0.00 0.08 0.00 0.00 29.97 30.96 1x52 h ARG 114 CO 0.48 0.48 -0.71 -0.59 -1.07 0.00 0.00 179.97 178.57 1x52 s PHE 115 N -5.31 0.52 -0.02 3.04 -0.12 -1.26 -5.09 117.98 109.74 1x52 s PHE 115 Ca -0.14 -0.65 -0.30 0.00 -0.05 0.00 0.00 56.93 55.79 1x52 s PHE 115 Cb 0.08 -0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.08 1x52 s PHE 115 CO 0.73 -0.18 1.42 -1.25 -0.05 0.00 0.00 175.22 175.89 1x52 s PRO 116 N -2.19 4.27 0.05 1.99 0.04 -1.26 -4.76 135.00 133.14 1x52 s PRO 116 Ca -0.07 1.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 1x52 s PRO 116 Cb -0.05 -3.63 -0.05 0.00 0.04 0.00 0.00 34.50 30.81 1x52 s PRO 116 CO -0.02 -0.62 1.04 0.08 0.04 0.00 0.00 177.00 177.52 1x52 s VAL 117 N 2.65 4.52 0.00 -0.36 1.01 -1.07 -4.93 120.40 122.23 1x52 s VAL 117 Ca 0.64 1.89 -0.05 0.00 0.00 0.00 0.00 61.98 64.47 1x52 s VAL 117 Cb -0.31 -4.21 -0.21 0.00 0.00 0.00 0.00 36.38 31.65 1x52 s VAL 117 CO 0.26 0.19 3.03 -0.81 0.00 0.00 0.00 175.10 177.77 1x52 n PRO 118 N 3.54 1.62 -3.28 2.72 -0.04 -1.26 -4.45 135.00 133.85 1x52 n PRO 118 Ca 0.06 -0.77 -0.10 0.00 -0.04 0.00 0.00 63.50 62.65 1x52 n PRO 118 Cb 0.49 -1.85 -0.05 0.00 -0.04 0.00 0.00 33.50 32.06 1x52 n PRO 118 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x52 s SER 119 N 2.13 0.03 -0.28 3.54 0.15 -1.26 -5.12 113.70 112.89 1x52 s SER 119 Ca 0.52 -1.34 -0.24 0.00 0.70 0.00 0.00 55.95 55.58 1x52 s SER 119 Cb 0.25 1.13 0.10 0.00 -1.71 0.00 0.00 66.02 65.78 1x52 s SER 119 CO 0.00 -0.21 0.87 -0.83 1.20 0.00 0.00 173.24 174.27 1x52 s GLY 120 N 1.51 -0.35 0.00 9.45 0.00 -1.26 -5.09 107.32 111.58 1x52 s GLY 120 Ca 0.18 2.38 -0.02 0.00 0.00 0.00 0.00 44.72 47.26 1x52 s GLY 120 CO -0.05 1.85 0.86 -0.56 0.00 0.00 0.00 173.10 175.20 1x52 h PRO 121 N 4.77 0.23 0.00 2.90 0.13 -2.00 -3.46 132.00 134.58 1x52 h PRO 121 Ca -0.29 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1x52 h PRO 121 Cb 1.17 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1x52 h PRO 121 CO 0.09 1.09 0.00 0.45 -0.23 0.00 0.00 178.00 179.40 1x52 n SER 122 N -3.44 0.00 0.00 1.44 2.88 -1.26 -5.07 113.62 108.18 1x52 n SER 122 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1x52 n SER 122 Cb 1.04 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.67 1x52 n SER 122 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x52 n SER 123 N -1.79 0.00 0.00 -3.46 7.64 -1.26 -4.94 113.62 109.81 1x52 n SER 123 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x52 n SER 123 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1x52 n SER 123 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64