#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n ARG 2 N 0.00 2.73 -3.73 0.00 0.00 -1.26 -4.95 116.66 109.45 3i20 n ARG 2 Ca 0.00 0.98 -0.38 0.00 -0.00 0.00 0.00 57.85 58.45 3i20 n ARG 2 Cb 0.00 -2.80 -0.12 0.00 0.00 0.00 0.00 32.46 29.54 3i20 n ARG 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3i20 s VAL 3 N 0.76 3.81 0.00 5.15 1.01 -1.26 -5.02 120.40 124.86 3i20 s VAL 3 Ca 0.71 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3i20 s VAL 3 Cb -0.51 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3i20 s VAL 3 CO 0.38 -0.24 0.20 2.29 0.00 0.00 0.00 175.10 177.72 3i20 n LYS 4 N 4.81 0.00 -2.23 2.72 2.85 -1.26 -4.92 118.16 120.12 3i20 n LYS 4 Ca -0.12 0.20 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 3i20 n LYS 4 Cb 0.44 -0.30 0.00 0.00 -0.65 0.00 0.00 35.03 34.52 3i20 n LYS 4 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3i20 n ARG 5 N -2.11 -5.17 0.00 -1.58 0.63 -1.26 -4.95 116.66 102.22 3i20 n ARG 5 Ca 0.00 3.74 0.00 0.00 -0.92 0.00 0.00 57.85 60.67 3i20 n ARG 5 Cb 0.00 -4.49 0.00 0.00 0.45 0.00 0.00 32.46 28.42 3i20 n ARG 5 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i20 n GLY 6 N 1.80 3.42 0.33 5.14 0.00 -1.26 -4.84 105.19 109.79 3i20 n GLY 6 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.54 3i20 n GLY 6 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3i20 h VAL 7 N 0.00 1.17 0.01 1.61 -1.51 -2.00 0.16 116.25 115.70 3i20 h VAL 7 Ca 0.00 -0.39 -0.28 0.00 -1.23 0.00 0.00 66.70 64.80 3i20 h VAL 7 Cb 0.00 0.31 -0.04 0.00 -2.13 0.00 0.00 31.29 29.43 3i20 h VAL 7 CO 0.00 0.18 -1.54 0.16 -1.23 0.00 0.00 177.57 175.14 3i20 h ILE 8 N 0.84 1.06 -0.60 7.19 -0.00 -2.00 -2.94 117.51 121.08 3i20 h ILE 8 Ca 0.22 -2.86 0.06 0.00 -0.00 0.00 0.00 64.86 62.28 3i20 h ILE 8 Cb -0.03 2.55 -0.06 0.00 -0.00 0.00 0.00 36.82 39.28 3i20 h ILE 8 CO -0.04 0.64 0.29 0.00 -0.00 0.00 0.00 178.15 179.04 3i20 h ALA 9 N 0.92 0.78 0.00 0.16 0.00 -1.69 -2.57 119.26 116.86 3i20 h ALA 9 Ca -0.22 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 3i20 h ALA 9 Cb 1.96 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.67 3i20 h ALA 9 CO 0.10 -0.07 -0.99 0.07 0.00 0.00 0.00 179.25 178.35 3i20 h ARG 10 N 0.54 0.00 -0.80 0.00 0.11 -0.80 -3.07 114.38 110.36 3i20 h ARG 10 Ca 0.28 0.00 0.16 0.00 0.10 0.00 0.00 59.98 60.52 3i20 h ARG 10 Cb 0.23 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 31.16 3i20 h ARG 10 CO -0.21 0.65 -0.19 0.00 0.10 0.00 0.00 179.97 180.32 3i20 h ALA 11 N 1.24 0.54 0.36 0.08 0.00 -1.27 0.13 119.26 120.33 3i20 h ALA 11 Ca -0.07 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3i20 h ALA 11 Cb 1.64 0.60 0.00 0.00 0.00 0.00 0.00 17.79 20.04 3i20 h ALA 11 CO 0.09 -0.41 -0.17 0.00 0.00 0.00 0.00 179.25 178.76 3i20 h ARG 12 N 0.00 -0.47 -0.73 0.00 3.08 -1.40 -1.82 114.38 113.05 3i20 h ARG 12 Ca 0.39 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.57 3i20 h ARG 12 Cb 0.59 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.67 3i20 h ARG 12 CO -0.82 -0.28 0.36 0.45 -1.07 0.00 0.00 179.97 178.61 3i20 h HIS 13 N -0.54 0.64 -0.10 3.04 3.86 -1.35 -0.67 115.15 120.04 3i20 h HIS 13 Ca -0.05 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 3i20 h HIS 13 Cb 0.41 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3i20 h HIS 13 CO -0.04 0.22 -0.14 -0.22 0.86 0.00 0.00 177.93 178.61 3i20 h LYS 14 N 0.60 0.15 0.00 2.45 3.64 -0.31 0.09 116.57 123.19 3i20 h LYS 14 Ca 0.36 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.63 3i20 h LYS 14 Cb 0.41 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3i20 h LYS 14 CO -0.28 0.30 -0.40 -0.22 -2.27 0.00 0.00 179.45 176.58 3i20 h LYS 15 N 0.15 0.00 0.00 1.90 3.64 -0.29 0.32 116.57 122.29 3i20 h LYS 15 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3i20 h LYS 15 Cb 0.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3i20 h LYS 15 CO 0.02 0.40 -0.19 0.82 -2.27 0.00 0.00 179.45 178.24 3i20 h ILE 16 N 0.00 0.00 -0.87 2.00 5.03 -1.03 -3.30 117.51 119.34 3i20 h ILE 16 Ca -0.00 -0.82 0.21 0.00 -0.12 0.00 0.00 64.86 64.13 3i20 h ILE 16 Cb 0.98 0.00 -0.16 0.00 -3.03 0.00 0.00 36.82 34.62 3i20 h ILE 16 CO 0.05 0.00 0.01 -0.07 -0.68 0.00 0.00 178.15 177.46 3i20 h LEU 17 N -0.82 -0.42 -0.84 1.44 -0.00 -1.01 1.04 115.31 114.70 3i20 h LEU 17 Ca 0.00 0.24 0.11 0.00 -0.00 0.00 0.00 57.88 58.23 3i20 h LEU 17 Cb 0.19 0.41 -0.13 0.00 -0.00 0.00 0.00 40.66 41.13 3i20 h LEU 17 CO 0.00 -0.25 -0.45 0.50 -0.00 0.00 0.00 178.44 178.23 3i20 h LYS 18 N 0.07 -0.08 0.00 1.13 1.63 -0.53 0.17 116.57 118.96 3i20 h LYS 18 Ca 0.50 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.30 3i20 h LYS 18 Cb 0.94 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 3i20 h LYS 18 CO -0.79 -0.05 0.00 1.96 -3.45 0.00 0.00 179.45 177.12 3i20 h GLN 19 N -0.09 0.00 0.00 1.90 4.20 0.10 -2.40 115.11 118.83 3i20 h GLN 19 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3i20 h GLN 19 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3i20 h GLN 19 CO -0.86 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.30 3i20 n ALA 20 N -1.82 2.51 -1.54 3.87 0.00 0.05 -4.93 120.51 118.65 3i20 n ALA 20 Ca 0.01 -0.15 -0.51 0.00 0.00 0.00 0.00 53.44 52.79 3i20 n ALA 20 Cb 0.19 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 18.11 3i20 n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i20 n LYS 21 N -1.20 0.80 0.00 0.00 5.02 -0.91 -1.18 118.16 120.68 3i20 n LYS 21 Ca 0.17 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 3i20 n LYS 21 Cb 0.20 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 3i20 n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i20 n GLY 22 N 1.95 2.82 3.45 0.72 0.00 -1.26 -5.04 105.19 107.82 3i20 n GLY 22 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3i20 n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i20 n TYR 23 N -0.37 -0.92 -3.42 1.61 0.53 -0.33 -4.90 117.16 109.36 3i20 n TYR 23 Ca 0.00 0.16 -0.38 0.00 -1.02 0.00 0.00 57.90 56.66 3i20 n TYR 23 Cb 0.00 -1.76 -0.06 0.00 -1.03 0.00 0.00 39.34 36.49 3i20 n TYR 23 CO 0.00 0.00 0.00 -0.47 -1.02 0.00 0.00 176.86 175.37 3i20 s TYR 24 N -2.41 3.59 0.00 -0.72 5.04 -1.26 -4.20 117.35 117.40 3i20 s TYR 24 Ca 0.61 0.89 0.00 0.00 -2.44 0.00 0.00 57.07 56.13 3i20 s TYR 24 Cb -0.20 -2.42 0.00 0.00 0.35 0.00 0.00 41.96 39.69 3i20 s TYR 24 CO 0.65 0.37 0.00 0.41 -1.34 0.00 0.00 175.55 175.64 3i20 n GLY 25 N 2.69 3.24 0.30 8.97 0.00 -1.26 -2.28 105.19 116.86 3i20 n GLY 25 Ca -0.11 -0.06 0.18 0.00 0.00 0.00 0.00 46.02 46.04 3i20 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i20 h ALA 26 N -0.66 1.10 0.00 4.61 0.00 -1.97 0.07 119.26 122.42 3i20 h ALA 26 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i20 h ALA 26 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i20 h ALA 26 CO 0.00 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.83 3i20 n ARG 27 N -3.26 0.09 0.00 0.00 1.74 -0.96 -1.38 116.66 112.88 3i20 n ARG 27 Ca -0.02 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 3i20 n ARG 27 Cb 0.18 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 3i20 n ARG 27 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i20 n SER 28 N -1.26 0.31 0.02 0.55 3.41 0.01 -4.59 113.62 112.07 3i20 n SER 28 Ca 0.03 -0.64 -0.01 0.00 -0.26 0.00 0.00 58.87 58.00 3i20 n SER 28 Cb 0.04 0.53 -0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3i20 n SER 28 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i20 n ARG 29 N -0.53 0.05 -2.57 4.33 1.74 -0.48 -4.85 116.66 114.36 3i20 n ARG 29 Ca 0.00 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.68 3i20 n ARG 29 Cb 0.01 -0.42 -0.03 0.00 -1.02 0.00 0.00 32.46 31.01 3i20 n ARG 29 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i20 s VAL 30 N -1.67 4.45 0.09 1.55 1.01 -0.82 -4.97 120.40 120.04 3i20 s VAL 30 Ca -0.03 1.77 -0.26 0.00 0.00 0.00 0.00 61.98 63.46 3i20 s VAL 30 Cb 0.00 -4.13 -0.15 0.00 0.00 0.00 0.00 36.38 32.10 3i20 s VAL 30 CO 0.04 0.14 1.70 0.22 0.00 0.00 0.00 175.10 177.20 3i20 h TYR 31 N 6.75 -0.31 -0.98 5.22 3.20 -1.96 0.81 116.97 129.71 3i20 h TYR 31 Ca -0.41 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 61.64 3i20 h TYR 31 Cb 1.22 0.11 -0.11 0.00 1.54 0.00 0.00 36.73 39.48 3i20 h TYR 31 CO 0.67 -0.19 0.57 -0.09 -1.64 0.00 0.00 178.16 177.49 3i20 h ARG 32 N -0.31 0.68 0.18 1.82 2.43 -1.95 0.15 114.38 117.37 3i20 h ARG 32 Ca -0.02 -0.04 -0.32 0.00 -0.81 0.00 0.00 59.98 58.78 3i20 h ARG 32 Cb 0.25 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3i20 h ARG 32 CO 0.03 0.45 -1.54 0.28 -1.51 0.00 0.00 179.97 177.68 3i20 h VAL 33 N 0.70 1.18 -0.71 0.20 2.07 -1.85 -3.33 116.25 114.51 3i20 h VAL 33 Ca 0.57 -2.73 0.08 0.00 0.82 0.00 0.00 66.70 65.44 3i20 h VAL 33 Cb 0.92 2.87 -0.07 0.00 -1.52 0.00 0.00 31.29 33.49 3i20 h VAL 33 CO -0.40 0.84 0.37 0.00 0.02 0.00 0.00 177.57 178.39 3i20 h ALA 34 N 0.31 0.97 0.29 1.67 0.00 0.14 -1.22 119.26 121.42 3i20 h ALA 34 Ca -0.26 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3i20 h ALA 34 Cb 2.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 3i20 h ALA 34 CO 0.21 -0.01 -0.36 0.35 0.00 0.00 0.00 179.25 179.44 3i20 h PHE 35 N 0.64 -0.97 -0.14 0.00 3.04 -0.97 0.12 116.94 118.67 3i20 h PHE 35 Ca 0.34 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.34 3i20 h PHE 35 Cb 0.31 0.39 -0.01 0.00 2.56 0.00 0.00 35.95 39.20 3i20 h PHE 35 CO -0.10 -0.49 0.31 1.96 -2.02 0.00 0.00 178.31 177.97 3i20 h GLN 36 N -0.69 0.00 0.17 1.11 4.20 -1.52 -2.42 115.11 115.96 3i20 h GLN 36 Ca -0.01 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.36 3i20 h GLN 36 Cb 0.65 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.44 3i20 h GLN 36 CO -0.10 0.00 -1.66 0.00 -0.67 0.00 0.00 178.83 176.39 3i20 h ALA 37 N 1.52 0.16 -0.09 3.87 0.00 0.40 -3.28 119.26 121.83 3i20 h ALA 37 Ca 0.07 -1.11 -0.16 0.00 0.00 0.00 0.00 54.91 53.71 3i20 h ALA 37 Cb 0.68 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3i20 h ALA 37 CO -0.00 1.03 -0.64 0.28 0.00 0.00 0.00 179.25 179.91 3i20 h VAL 38 N 0.10 1.37 0.09 0.00 2.07 -0.84 -2.53 116.25 116.52 3i20 h VAL 38 Ca -0.31 -2.02 -0.00 0.00 0.82 0.00 0.00 66.70 65.19 3i20 h VAL 38 Cb 2.08 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.86 3i20 h VAL 38 CO 0.18 0.61 -0.04 0.40 0.02 0.00 0.00 177.57 178.73 3i20 h ILE 39 N 0.26 0.95 -0.35 4.57 2.04 -1.66 0.32 117.51 123.65 3i20 h ILE 39 Ca -0.01 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 3i20 h ILE 39 Cb 1.19 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3i20 h ILE 39 CO 0.11 0.04 0.00 0.50 0.00 0.00 0.00 178.15 178.80 3i20 h LYS 40 N -0.19 0.54 0.10 2.37 3.64 -1.61 2.07 116.57 123.49 3i20 h LYS 40 Ca -0.01 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.27 3i20 h LYS 40 Cb 0.16 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 3i20 h LYS 40 CO 0.02 0.57 -0.38 0.00 -2.27 0.00 0.00 179.45 177.39 3i20 h ALA 41 N 1.49 -0.65 -0.35 5.00 0.00 -1.15 1.49 119.26 125.08 3i20 h ALA 41 Ca 0.11 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3i20 h ALA 41 Cb 0.34 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3i20 h ALA 41 CO 0.01 -0.93 0.04 0.78 0.00 0.00 0.00 179.25 179.15 3i20 h GLY 42 N -0.60 0.39 0.00 0.00 0.00 0.17 -0.47 103.07 102.56 3i20 h GLY 42 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3i20 h GLY 42 CO -0.24 -0.05 0.00 -1.06 0.00 0.00 0.00 176.54 175.20 3i20 n GLN 43 N -5.12 0.00 -0.34 4.80 6.02 0.68 -2.56 117.38 120.86 3i20 n GLN 43 Ca 0.01 0.75 0.23 0.00 -0.01 0.00 0.00 57.00 57.99 3i20 n GLN 43 Cb 0.17 -1.33 0.50 0.00 1.02 0.00 0.00 30.24 30.59 3i20 n GLN 43 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 3i20 h TYR 44 N 0.00 0.74 0.45 1.08 0.99 0.32 -2.71 116.97 117.84 3i20 h TYR 44 Ca 0.00 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 3i20 h TYR 44 Cb 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 36.73 37.53 3i20 h TYR 44 CO -0.50 0.01 -0.22 0.00 -0.00 0.00 0.00 178.16 177.45 3i20 h ALA 45 N 1.66 -0.96 -0.13 3.88 0.00 -0.99 0.24 119.26 122.96 3i20 h ALA 45 Ca 0.64 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.43 3i20 h ALA 45 Cb 1.58 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 3i20 h ALA 45 CO -0.37 -0.91 -0.07 0.98 0.00 0.00 0.00 179.25 178.87 3i20 n TYR 46 N -3.94 -0.06 -0.27 0.00 9.36 -1.06 -0.42 117.16 120.78 3i20 n TYR 46 Ca -0.07 0.16 0.02 0.00 3.32 0.00 0.00 57.90 61.33 3i20 n TYR 46 Cb 0.24 -0.40 0.10 0.00 -0.63 0.00 0.00 39.34 38.65 3i20 n TYR 46 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 3i20 h ARG 47 N 0.00 0.01 -0.15 2.98 2.43 -1.32 -1.68 114.38 116.64 3i20 h ARG 47 Ca 0.02 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.03 3i20 h ARG 47 Cb 0.05 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3i20 h ARG 47 CO -0.12 0.01 -0.59 -0.44 -1.51 0.00 0.00 179.97 177.32 3i20 h ASP 48 N 0.01 0.57 -1.32 -3.80 3.45 0.85 -2.64 116.42 113.53 3i20 h ASP 48 Ca 0.38 -0.32 0.38 0.00 0.43 0.00 0.00 57.03 57.90 3i20 h ASP 48 Cb 0.59 -0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 39.14 3i20 h ASP 48 CO -0.78 1.03 1.20 0.03 -1.57 0.00 0.00 179.24 179.15 3i20 h ARG 49 N 0.38 0.00 0.13 3.56 3.08 0.25 4.30 114.38 126.08 3i20 h ARG 49 Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.75 3i20 h ARG 49 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3i20 h ARG 49 CO 0.11 0.00 -1.40 0.00 -1.07 0.00 0.00 179.97 177.60 3i20 h ARG 50 N 0.00 0.28 0.23 0.04 -0.00 -1.50 -3.38 114.38 110.04 3i20 h ARG 50 Ca 0.63 -0.48 -0.01 0.00 -0.50 0.00 0.00 59.98 59.61 3i20 h ARG 50 Cb 3.02 0.18 0.00 0.00 0.00 0.00 0.00 29.97 33.17 3i20 h ARG 50 CO -0.01 1.19 -0.11 1.96 0.00 0.00 0.00 179.97 183.00 3i20 h GLN 51 N 0.08 -0.29 -0.67 0.04 4.20 0.81 -3.26 115.11 116.01 3i20 h GLN 51 Ca -0.20 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.59 3i20 h GLN 51 Cb 2.01 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 29.78 3i20 h GLN 51 CO 0.19 0.02 -0.40 -2.13 -0.67 0.00 0.00 178.83 175.84 3i20 n ARG 52 N -5.09 -0.30 -0.30 1.46 0.63 0.23 0.95 116.66 114.24 3i20 n ARG 52 Ca -0.09 1.21 0.30 0.00 -0.92 0.00 0.00 57.85 58.35 3i20 n ARG 52 Cb 0.24 -1.79 0.54 0.00 0.45 0.00 0.00 32.46 31.90 3i20 n ARG 52 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3i20 n LYS 53 N -4.58 -0.05 0.06 -0.14 4.76 -1.23 -0.20 118.16 116.77 3i20 n LYS 53 Ca 0.01 1.24 -0.07 0.00 -2.87 0.00 0.00 58.31 56.62 3i20 n LYS 53 Cb 0.17 -2.24 -0.05 0.00 -1.84 0.00 0.00 35.03 31.08 3i20 n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i20 h ARG 54 N 0.00 -0.23 -0.17 1.97 3.08 0.50 -3.17 114.38 116.36 3i20 h ARG 54 Ca 0.77 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.88 3i20 h ARG 54 Cb 2.08 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 32.12 3i20 h ARG 54 CO -0.67 0.04 -0.43 1.96 -1.07 0.00 0.00 179.97 179.80 3i20 h GLN 55 N -1.00 -0.46 -0.25 0.04 4.20 0.49 -0.79 115.11 117.33 3i20 h GLN 55 Ca -0.02 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.78 3i20 h GLN 55 Cb 0.38 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.19 3i20 h GLN 55 CO 0.04 -0.31 -0.28 0.74 -0.67 0.00 0.00 178.83 178.36 3i20 h PHE 56 N -0.48 -0.75 -0.96 2.96 0.05 -1.56 0.54 116.94 116.74 3i20 h PHE 56 Ca 0.08 0.04 0.16 0.00 3.82 0.00 0.00 57.97 62.08 3i20 h PHE 56 Cb 0.63 0.37 -0.10 0.00 2.00 0.00 0.00 35.95 38.85 3i20 h PHE 56 CO -0.51 -0.35 0.57 -0.09 -0.18 0.00 0.00 178.31 177.75 3i20 h ARG 57 N -0.28 0.75 0.00 1.51 2.43 -1.20 0.52 114.38 118.11 3i20 h ARG 57 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3i20 h ARG 57 Cb 0.50 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3i20 h ARG 57 CO -0.41 0.50 -0.08 -0.56 -1.51 0.00 0.00 179.97 177.91 3i20 h GLN 58 N 0.78 0.00 0.07 0.20 3.07 0.53 0.36 115.11 120.11 3i20 h GLN 58 Ca 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.27 3i20 h GLN 58 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.31 3i20 h GLN 58 CO -0.35 0.00 -0.03 1.25 0.09 0.00 0.00 178.83 179.79 3i20 h LEU 59 N 0.00 -0.07 -0.98 0.06 7.12 0.38 -2.88 115.31 118.94 3i20 h LEU 59 Ca 0.00 0.00 0.30 0.00 0.13 0.00 0.00 57.88 58.32 3i20 h LEU 59 Cb 0.87 0.02 -0.18 0.00 -0.53 0.00 0.00 40.66 40.85 3i20 h LEU 59 CO 0.00 -0.01 0.18 -0.50 -0.13 0.00 0.00 178.44 177.99 3i20 h TRP 60 N -0.18 0.22 -0.52 1.25 6.55 0.04 1.31 115.95 124.63 3i20 h TRP 60 Ca -0.01 0.06 0.04 0.00 0.95 0.00 0.00 58.89 59.93 3i20 h TRP 60 Cb 0.07 0.06 -0.04 0.00 -0.86 0.00 0.00 29.16 28.39 3i20 h TRP 60 CO 0.08 -0.42 0.28 0.82 -1.05 0.00 0.00 178.44 178.15 3i20 h ILE 61 N 0.03 0.99 -0.17 1.49 2.04 -0.36 -1.54 117.51 120.00 3i20 h ILE 61 Ca 0.66 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 66.23 3i20 h ILE 61 Cb 1.47 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3i20 h ILE 61 CO -0.85 0.10 -0.32 0.00 0.00 0.00 0.00 178.15 177.08 3i20 h ALA 62 N 1.26 1.15 -0.04 1.87 0.00 0.19 -2.29 119.26 121.40 3i20 h ALA 62 Ca 0.22 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3i20 h ALA 62 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i20 h ALA 62 CO -0.14 0.55 -0.10 0.07 0.00 0.00 0.00 179.25 179.64 3i20 h ARG 63 N 0.29 0.14 -0.88 0.00 -0.00 -1.10 -3.08 114.38 109.75 3i20 h ARG 63 Ca 0.04 -0.09 0.18 0.00 -0.00 0.00 0.00 59.98 60.10 3i20 h ARG 63 Cb 0.71 0.01 -0.11 0.00 -0.00 0.00 0.00 29.97 30.59 3i20 h ARG 63 CO 0.05 0.69 0.43 0.82 -0.00 0.00 0.00 179.97 181.96 3i20 h ILE 64 N -0.38 0.63 -0.35 0.08 2.04 -0.85 0.47 117.51 119.15 3i20 h ILE 64 Ca 0.00 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.57 3i20 h ILE 64 Cb 0.69 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3i20 h ILE 64 CO 0.02 0.10 -0.19 -1.13 0.00 0.00 0.00 178.15 176.95 3i20 h ASN 65 N 0.55 0.65 -0.31 1.72 -0.00 -1.51 0.56 115.58 117.25 3i20 h ASN 65 Ca 0.51 -0.21 -0.09 0.00 -0.00 0.00 0.00 56.30 56.50 3i20 h ASN 65 Cb 0.83 -0.18 -0.02 0.00 -0.00 0.00 0.00 38.32 38.95 3i20 h ASN 65 CO -0.43 0.85 -0.13 0.00 -0.00 0.00 0.00 177.43 177.72 3i20 h ALA 66 N 1.21 1.00 0.22 1.57 0.00 -0.02 0.80 119.26 124.03 3i20 h ALA 66 Ca 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3i20 h ALA 66 Cb 0.65 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i20 h ALA 66 CO 0.05 0.60 -0.11 0.00 0.00 0.00 0.00 179.25 179.79 3i20 h ALA 67 N 1.18 -0.40 -0.42 0.00 0.00 -0.72 -2.61 119.26 116.30 3i20 h ALA 67 Ca 0.11 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3i20 h ALA 67 Cb 0.61 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 3i20 h ALA 67 CO 0.04 -0.37 -0.25 0.00 0.00 0.00 0.00 179.25 178.67 3i20 n ALA 68 N -2.51 -0.27 -0.22 0.00 0.00 0.15 0.96 120.51 118.63 3i20 n ALA 68 Ca -0.04 0.36 0.31 0.00 0.00 0.00 0.00 53.44 54.07 3i20 n ALA 68 Cb 0.12 0.16 0.62 0.00 0.00 0.00 0.00 19.45 20.35 3i20 n ALA 68 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i20 h ARG 69 N 0.00 0.00 0.00 0.00 9.65 0.62 3.27 114.38 127.91 3i20 h ARG 69 Ca 0.07 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.90 3i20 h ARG 69 Cb 0.17 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 3i20 h ARG 69 CO -0.39 0.00 -0.40 0.37 2.80 0.00 0.00 179.97 182.35 3i20 h GLN 70 N 0.00 0.00 -0.64 0.20 5.75 0.10 -2.77 115.11 117.75 3i20 h GLN 70 Ca 0.48 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.98 3i20 h GLN 70 Cb 2.46 0.00 0.00 0.00 1.07 0.00 0.00 27.48 31.01 3i20 h GLN 70 CO -0.01 0.19 0.00 0.09 -2.65 0.00 0.00 178.83 176.46 3i20 n ASN 71 N -3.08 5.08 -1.01 -0.69 3.02 1.08 -4.93 115.26 114.74 3i20 n ASN 71 Ca 0.02 -2.79 -0.09 0.00 -0.03 0.00 0.00 54.58 51.69 3i20 n ASN 71 Cb 0.63 -0.66 -0.00 0.00 -0.61 0.00 0.00 39.78 39.13 3i20 n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i20 n GLY 72 N 0.55 0.02 3.01 7.41 0.00 -0.81 -5.02 105.19 110.35 3i20 n GLY 72 Ca 0.24 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 3i20 n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i20 s ILE 73 N -2.44 0.52 0.34 -0.61 1.10 -1.13 -4.98 121.20 114.00 3i20 s ILE 73 Ca 0.00 -0.54 -0.26 0.00 -0.51 0.00 0.00 60.65 59.34 3i20 s ILE 73 Cb 0.00 -0.49 -0.09 0.00 0.15 0.00 0.00 42.46 42.02 3i20 s ILE 73 CO 0.00 -0.03 1.02 -0.94 -2.11 0.00 0.00 174.94 172.88 3i20 s SER 74 N -0.63 7.10 0.24 4.50 1.04 -1.26 -1.23 113.70 123.47 3i20 s SER 74 Ca -0.01 2.01 -0.07 0.00 0.48 0.00 0.00 55.95 58.36 3i20 s SER 74 Cb -0.05 -2.59 0.43 0.00 0.10 0.00 0.00 66.02 63.91 3i20 s SER 74 CO 0.00 -0.25 1.64 0.22 0.98 0.00 0.00 173.24 175.84 3i20 h TYR 75 N 3.08 -0.01 -0.04 5.02 3.20 -1.90 0.80 116.97 127.13 3i20 h TYR 75 Ca -0.47 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.46 3i20 h TYR 75 Cb 1.21 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.57 3i20 h TYR 75 CO 0.59 -0.22 -0.27 0.77 -1.64 0.00 0.00 178.16 177.40 3i20 h SER 76 N 0.12 -0.83 -0.20 -2.11 0.02 -1.99 0.27 113.55 108.84 3i20 h SER 76 Ca 0.40 0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.50 3i20 h SER 76 Cb 0.71 0.32 -0.05 0.00 0.14 0.00 0.00 62.40 63.52 3i20 h SER 76 CO -0.63 -0.25 -0.13 0.11 -1.14 0.00 0.00 176.83 174.79 3i20 h LYS 77 N -0.31 -0.12 -0.64 3.45 1.57 -1.66 -1.93 116.57 116.93 3i20 h LYS 77 Ca 0.01 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 3i20 h LYS 77 Cb 0.34 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.60 3i20 h LYS 77 CO -0.20 -0.08 -0.42 0.35 -0.57 0.00 0.00 179.45 178.53 3i20 h PHE 78 N -0.13 -1.34 0.29 -1.35 -0.00 0.12 0.36 116.94 114.90 3i20 h PHE 78 Ca 0.11 0.09 -0.01 0.00 -0.00 0.00 0.00 57.97 58.17 3i20 h PHE 78 Cb 0.30 0.67 -0.02 0.00 -0.00 0.00 0.00 35.95 36.89 3i20 h PHE 78 CO -0.28 -0.28 -0.37 0.82 -0.00 0.00 0.00 178.31 178.20 3i20 h ILE 79 N -0.05 0.00 -1.00 1.41 1.08 0.19 0.29 117.51 119.43 3i20 h ILE 79 Ca 0.10 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.77 3i20 h ILE 79 Cb 0.32 0.00 -0.19 0.00 -3.07 0.00 0.00 36.82 33.88 3i20 h ILE 79 CO -0.63 0.00 -0.26 -1.13 -0.69 0.00 0.00 178.15 175.44 3i20 h ASN 80 N -0.68 -0.97 0.00 1.72 -0.00 -1.08 0.43 115.58 115.01 3i20 h ASN 80 Ca -0.03 0.30 0.00 0.00 -0.00 0.00 0.00 56.30 56.56 3i20 h ASN 80 Cb 0.61 0.63 0.00 0.00 -0.00 0.00 0.00 38.32 39.56 3i20 h ASN 80 CO -0.09 -0.33 0.00 0.61 -0.00 0.00 0.00 177.43 177.62 3i20 n GLY 81 N -1.62 -3.26 0.35 1.57 0.00 0.12 -0.39 105.19 101.97 3i20 n GLY 81 Ca 0.15 0.63 0.17 0.00 0.00 0.00 0.00 46.02 46.97 3i20 n GLY 81 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i20 h LEU 82 N 0.00 0.00 0.48 0.99 3.38 0.13 1.24 115.31 121.52 3i20 h LEU 82 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3i20 h LEU 82 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i20 h LEU 82 CO 0.00 0.00 -0.23 0.50 0.09 0.00 0.00 178.44 178.80 3i20 h LYS 83 N 0.00 -0.62 -0.96 1.13 3.64 -0.09 -3.13 116.57 116.54 3i20 h LYS 83 Ca 0.14 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.71 3i20 h LYS 83 Cb 0.67 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 32.54 3i20 h LYS 83 CO -0.00 -0.41 0.58 0.87 -2.27 0.00 0.00 179.45 178.22 3i20 h LYS 84 N -0.94 0.83 -6.16 1.90 1.57 0.13 -3.35 116.57 110.54 3i20 h LYS 84 Ca -0.07 -0.05 -0.73 0.00 -1.87 0.00 0.00 60.65 57.94 3i20 h LYS 84 Cb 0.49 -0.19 0.02 0.00 0.08 0.00 0.00 32.23 32.63 3i20 h LYS 84 CO 0.11 0.55 0.89 0.00 -0.57 0.00 0.00 179.45 180.43 3i20 n ALA 85 N -2.36 -0.15 0.00 3.86 0.00 0.41 -3.89 120.51 118.39 3i20 n ALA 85 Ca 0.19 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3i20 n ALA 85 Cb 0.42 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3i20 n ALA 85 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i20 n SER 86 N 5.30 0.00 0.00 0.00 7.64 -1.26 -2.30 113.62 123.00 3i20 n SER 86 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 3i20 n SER 86 Cb 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 3i20 n SER 86 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3i20 n VAL 87 N 0.00 0.00 -2.27 0.44 0.31 -1.25 -4.77 118.33 110.79 3i20 n VAL 87 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3i20 n VAL 87 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 3i20 n VAL 87 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i20 n GLU 88 N 0.00 -2.54 -4.65 5.55 0.00 -0.97 -4.18 120.64 113.84 3i20 n GLU 88 Ca 0.00 2.15 -0.26 0.00 0.00 0.00 0.00 57.16 59.05 3i20 n GLU 88 Cb 0.00 -3.81 -0.14 0.00 0.00 0.00 0.00 31.44 27.49 3i20 n GLU 88 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 3i20 s ILE 89 N -0.86 1.80 0.00 6.31 -4.36 -1.26 -4.44 121.20 118.38 3i20 s ILE 89 Ca -0.06 -1.30 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 3i20 s ILE 89 Cb 0.00 -1.56 0.00 0.00 1.25 0.00 0.00 42.46 42.15 3i20 s ILE 89 CO 0.52 0.21 0.00 -0.67 0.24 0.00 0.00 174.94 175.24 3i20 n ASP 90 N 1.72 0.00 -4.36 4.36 -0.08 -1.26 -5.17 116.55 111.77 3i20 n ASP 90 Ca -0.17 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.77 3i20 n ASP 90 Cb 0.53 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.10 3i20 n ASP 90 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3i20 n ARG 91 N 0.00 -0.31 0.09 -0.67 1.74 -1.26 -4.80 116.66 111.45 3i20 n ARG 91 Ca 0.00 -0.06 -0.18 0.00 -0.77 0.00 0.00 57.85 56.85 3i20 n ARG 91 Cb 0.00 -1.74 -0.11 0.00 -1.02 0.00 0.00 32.46 29.60 3i20 n ARG 91 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3i20 h LYS 92 N -1.51 0.44 -0.75 5.56 1.57 -1.99 -2.58 116.57 117.30 3i20 h LYS 92 Ca -0.44 -0.60 0.08 0.00 -1.87 0.00 0.00 60.65 57.82 3i20 h LYS 92 Cb 1.29 0.20 -0.05 0.00 0.08 0.00 0.00 32.23 33.75 3i20 h LYS 92 CO 0.33 1.25 0.49 0.97 -0.57 0.00 0.00 179.45 181.92 3i20 h ILE 93 N 0.19 0.99 -0.05 1.86 2.10 -1.94 -1.48 117.51 119.18 3i20 h ILE 93 Ca -0.14 -0.25 -0.12 0.00 1.08 0.00 0.00 64.86 65.42 3i20 h ILE 93 Cb 1.84 0.18 -0.01 0.00 -1.09 0.00 0.00 36.82 37.74 3i20 h ILE 93 CO 0.21 0.14 -0.54 0.25 -1.08 0.00 0.00 178.15 177.13 3i20 h LEU 94 N 0.74 0.14 -4.36 2.19 7.12 -1.85 -2.97 115.31 116.33 3i20 h LEU 94 Ca 0.33 -0.07 -0.18 0.00 0.13 0.00 0.00 57.88 58.10 3i20 h LEU 94 Cb 0.34 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.39 3i20 h LEU 94 CO -0.12 0.65 0.16 0.00 -0.13 0.00 0.00 178.44 179.00 3i20 n ALA 95 N -2.46 5.07 0.93 1.25 0.00 -0.56 -3.02 120.51 121.73 3i20 n ALA 95 Ca -0.02 -1.48 0.10 0.00 0.00 0.00 0.00 53.44 52.04 3i20 n ALA 95 Cb 0.56 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 3i20 n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i20 n ASP 96 N 2.76 1.38 0.21 0.00 3.85 -1.12 -3.68 116.55 119.94 3i20 n ASP 96 Ca 0.34 -1.19 0.08 0.00 -0.71 0.00 0.00 54.79 53.31 3i20 n ASP 96 Cb 0.63 0.77 0.41 0.00 -1.35 0.00 0.00 41.12 41.58 3i20 n ASP 96 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.20 176.35 3i20 h ILE 97 N 1.02 0.00 -0.01 2.12 -0.00 -1.84 0.71 117.51 119.49 3i20 h ILE 97 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 64.86 64.79 3i20 h ILE 97 Cb 0.57 0.33 -0.01 0.00 -0.00 0.00 0.00 36.82 37.71 3i20 h ILE 97 CO 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 178.15 177.85 3i20 h ALA 98 N 1.07 1.47 0.00 0.16 0.00 -1.81 -1.10 119.26 119.05 3i20 h ALA 98 Ca 0.00 -0.28 -0.36 0.00 0.00 0.00 0.00 54.91 54.27 3i20 h ALA 98 Cb 0.75 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 3i20 h ALA 98 CO 0.00 0.39 -2.24 0.28 0.00 0.00 0.00 179.25 177.69 3i20 n VAL 99 N -4.17 1.46 -0.01 0.00 0.31 0.24 -4.57 118.33 111.59 3i20 n VAL 99 Ca -0.02 -0.81 0.07 0.00 -0.01 0.00 0.00 64.34 63.57 3i20 n VAL 99 Cb 0.35 -0.73 -0.12 0.00 -0.91 0.00 0.00 33.84 32.43 3i20 n VAL 99 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3i20 n PHE 100 N -2.89 0.00 -3.37 3.52 0.99 -0.97 -4.74 117.46 109.99 3i20 n PHE 100 Ca -0.31 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 56.88 3i20 n PHE 100 Cb 1.11 -0.37 -0.10 0.00 -1.00 0.00 0.00 39.48 39.13 3i20 n PHE 100 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3i20 s ASP 101 N -3.82 1.42 0.59 4.37 3.68 -0.42 -4.99 116.67 117.50 3i20 s ASP 101 Ca -0.06 -2.94 0.38 0.00 2.13 0.00 0.00 52.55 52.05 3i20 s ASP 101 Cb 0.09 -0.34 1.73 0.00 -1.45 0.00 0.00 42.92 42.96 3i20 s ASP 101 CO 0.63 -0.18 2.12 0.11 0.13 0.00 0.00 175.17 177.98 3i20 h LYS 102 N 5.73 0.00 -0.28 4.34 1.57 -1.81 -1.88 116.57 124.25 3i20 h LYS 102 Ca 0.24 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.85 3i20 h LYS 102 Cb 0.92 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 3i20 h LYS 102 CO 0.35 0.00 -0.53 0.28 -0.57 0.00 0.00 179.45 178.98 3i20 h VAL 103 N 0.00 1.28 0.00 0.50 2.07 -1.94 -2.48 116.25 115.69 3i20 h VAL 103 Ca -0.00 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.79 3i20 h VAL 103 Cb 0.34 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3i20 h VAL 103 CO 0.00 0.56 0.00 0.00 0.02 0.00 0.00 177.57 178.15 3i20 n ALA 104 N -2.56 2.26 0.05 1.67 0.00 -0.75 -2.18 120.51 119.00 3i20 n ALA 104 Ca -0.04 -0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.15 3i20 n ALA 104 Cb 0.62 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 3i20 n ALA 104 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3i20 h PHE 105 N 0.00 0.58 -0.90 0.00 3.04 -1.33 -3.13 116.94 115.20 3i20 h PHE 105 Ca 0.00 -0.42 0.10 0.00 3.98 0.00 0.00 57.97 61.62 3i20 h PHE 105 Cb 0.66 -0.02 -0.07 0.00 2.56 0.00 0.00 35.95 39.08 3i20 h PHE 105 CO 0.00 1.49 0.58 1.15 -2.02 0.00 0.00 178.31 179.51 3i20 h THR 106 N -0.22 0.97 -0.75 4.41 2.02 -1.36 0.12 112.91 118.09 3i20 h THR 106 Ca -0.25 -0.31 0.07 0.00 0.77 0.00 0.00 66.41 66.69 3i20 h THR 106 Cb 1.81 -0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.17 3i20 h THR 106 CO 0.13 0.16 0.49 0.00 0.37 0.00 0.00 175.52 176.68 3i20 h ALA 107 N 1.55 1.69 0.01 6.16 0.00 -1.48 0.18 119.26 127.37 3i20 h ALA 107 Ca 0.42 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.12 3i20 h ALA 107 Cb 0.41 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.02 3i20 h ALA 107 CO -0.18 0.18 -0.73 -0.07 0.00 0.00 0.00 179.25 178.45 3i20 h LEU 108 N 0.78 0.63 -1.36 0.00 3.38 -0.81 -2.40 115.31 115.53 3i20 h LEU 108 Ca 0.33 -0.76 0.15 0.00 0.09 0.00 0.00 57.88 57.68 3i20 h LEU 108 Cb 0.28 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 3i20 h LEU 108 CO -0.11 1.32 0.56 0.58 0.09 0.00 0.00 178.44 180.87 3i20 h VAL 109 N 0.02 0.82 0.05 1.22 2.07 -0.48 0.15 116.25 120.08 3i20 h VAL 109 Ca -0.09 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3i20 h VAL 109 Cb 1.44 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3i20 h VAL 109 CO 0.14 0.11 -0.02 -0.33 0.02 0.00 0.00 177.57 177.49 3i20 h GLU 110 N 0.61 -0.06 -0.95 1.57 4.39 -0.84 0.33 114.58 119.63 3i20 h GLU 110 Ca 0.43 0.00 0.15 0.00 0.34 0.00 0.00 59.36 60.28 3i20 h GLU 110 Cb 0.77 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.36 3i20 h GLU 110 CO -0.19 0.33 0.60 -0.22 -1.16 0.00 0.00 179.01 178.37 3i20 h LYS 111 N -0.46 0.77 -0.01 2.33 1.63 -0.90 0.11 116.57 120.04 3i20 h LYS 111 Ca -0.01 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3i20 h LYS 111 Cb 0.41 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 3i20 h LYS 111 CO 0.01 0.51 -0.01 0.00 -3.45 0.00 0.00 179.45 176.51 3i20 h ALA 112 N 1.59 0.01 -1.00 5.00 0.00 -0.33 -2.40 119.26 122.13 3i20 h ALA 112 Ca 0.49 -0.31 0.19 0.00 0.00 0.00 0.00 54.91 55.28 3i20 h ALA 112 Cb 0.70 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 3i20 h ALA 112 CO -0.26 -0.17 0.61 0.87 0.00 0.00 0.00 179.25 180.30 3i20 h LYS 113 N -0.58 0.73 0.33 0.00 1.57 0.13 -2.48 116.57 116.26 3i20 h LYS 113 Ca -0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3i20 h LYS 113 Cb 0.63 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3i20 h LYS 113 CO 0.00 0.48 -0.16 0.00 -0.57 0.00 0.00 179.45 179.21 3i20 h ALA 114 N 1.65 -0.44 0.00 3.86 0.00 -0.96 -2.15 119.26 121.22 3i20 h ALA 114 Ca 0.58 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3i20 h ALA 114 Cb 0.92 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3i20 h ALA 114 CO -0.39 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.42 3i20 n ALA 115 N -2.69 1.29 0.06 0.00 0.00 -0.91 -0.82 120.51 117.45 3i20 n ALA 115 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.42 3i20 n ALA 115 Cb 0.22 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 3i20 n ALA 115 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i20 n LEU 116 N -0.93 0.06 0.00 0.00 7.94 -0.94 -4.62 117.00 118.51 3i20 n LEU 116 Ca 0.00 -0.07 0.01 0.00 -1.11 0.00 0.00 56.01 54.84 3i20 n LEU 116 Cb 0.00 0.00 0.04 0.00 0.53 0.00 0.00 43.42 43.99 3i20 n LEU 116 CO 0.00 0.02 0.29 0.00 -1.11 0.00 0.00 177.39 176.58