#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n LYS 2 N 0.00 -1.27 0.00 0.00 5.02 -1.26 -4.69 118.16 115.96 3i22 n LYS 2 Ca 0.00 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 3i22 n LYS 2 Cb 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 3i22 n LYS 2 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3i22 n THR 3 N -2.69 0.00 -1.25 -0.18 -1.04 -1.26 -4.45 114.28 103.40 3i22 n THR 3 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i22 n THR 3 Cb 0.29 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 3i22 n THR 3 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3i22 n ILE 4 N -2.30 -4.35 -4.44 12.58 2.08 -1.26 -3.45 119.36 118.21 3i22 n ILE 4 Ca 0.00 1.86 -0.34 0.00 0.56 0.00 0.00 62.75 64.83 3i22 n ILE 4 Cb 0.00 -2.60 -0.10 0.00 -0.75 0.00 0.00 39.64 36.19 3i22 n ILE 4 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3i22 s LYS 5 N -3.86 2.87 0.34 0.38 1.02 -1.18 -3.40 119.74 115.90 3i22 s LYS 5 Ca 0.00 -0.49 0.07 0.00 0.02 0.00 0.00 55.97 55.57 3i22 s LYS 5 Cb 0.00 -2.70 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 3i22 s LYS 5 CO 0.00 0.68 0.44 0.42 -0.92 0.00 0.00 175.35 175.97 3i22 s ILE 6 N -0.90 3.98 -0.04 2.17 -1.09 0.79 -2.67 121.20 123.45 3i22 s ILE 6 Ca 0.14 -1.06 -0.31 0.00 -2.23 0.00 0.00 60.65 57.20 3i22 s ILE 6 Cb -0.11 -3.37 0.07 0.00 -1.58 0.00 0.00 42.46 37.47 3i22 s ILE 6 CO 0.03 -0.16 0.67 -0.89 -1.23 0.00 0.00 174.94 173.37 3i22 s THR 7 N -2.20 0.00 -0.16 2.92 2.01 -1.20 -2.43 115.64 114.59 3i22 s THR 7 Ca 0.44 -0.01 -0.19 0.00 0.31 0.00 0.00 61.69 62.25 3i22 s THR 7 Cb -0.09 -1.00 -0.16 0.00 0.01 0.00 0.00 72.50 71.26 3i22 s THR 7 CO 0.30 -0.00 0.32 -0.61 -0.69 0.00 0.00 174.62 173.94 3i22 h GLN 8 N 2.98 0.00 0.00 4.92 4.15 -1.77 -2.82 115.11 122.56 3i22 h GLN 8 Ca -0.27 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.15 3i22 h GLN 8 Cb 1.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3i22 h GLN 8 CO 0.39 0.72 0.00 0.25 -1.93 0.00 0.00 178.83 178.26 3i22 n THR 9 N -4.57 0.00 -3.66 2.39 -2.24 -1.26 -3.72 114.28 101.21 3i22 n THR 9 Ca -0.16 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.54 3i22 n THR 9 Cb 0.46 -0.14 -0.09 0.00 -2.10 0.00 0.00 70.33 68.45 3i22 n THR 9 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i22 s ARG 10 N -0.28 0.38 0.23 -0.78 0.52 -1.26 -5.05 118.95 112.71 3i22 s ARG 10 Ca 0.00 1.06 -0.32 0.00 -0.52 0.00 0.00 55.73 55.95 3i22 s ARG 10 Cb 0.00 0.33 -0.12 0.00 0.52 0.00 0.00 34.95 35.68 3i22 s ARG 10 CO 0.00 -0.22 1.69 -1.13 0.02 0.00 0.00 175.30 175.65 3i22 n SER 11 N 5.16 3.93 -1.13 0.23 3.41 -1.26 -4.85 113.62 119.11 3i22 n SER 11 Ca -0.12 1.08 -0.01 0.00 -0.26 0.00 0.00 58.87 59.57 3i22 n SER 11 Cb 0.51 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 3i22 n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i22 n ALA 12 N 3.45 2.88 -1.00 7.33 0.00 -1.26 -4.72 120.51 127.19 3i22 n ALA 12 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3i22 n ALA 12 Cb 0.35 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3i22 n ALA 12 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i22 n ILE 13 N 0.64 0.00 0.07 0.00 5.41 -1.26 -3.70 119.36 120.52 3i22 n ILE 13 Ca 0.02 0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.81 3i22 n ILE 13 Cb 0.53 -1.01 0.03 0.00 -0.71 0.00 0.00 39.64 38.48 3i22 n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i22 n GLY 14 N 0.00 -0.04 3.70 7.39 0.00 -1.26 -4.78 105.19 110.20 3i22 n GLY 14 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3i22 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i22 s ARG 15 N -2.00 1.50 0.61 1.61 3.00 -1.24 -4.96 118.95 117.47 3i22 s ARG 15 Ca 0.01 1.61 -0.19 0.00 0.00 0.00 0.00 55.73 57.17 3i22 s ARG 15 Cb 0.01 -1.78 -0.03 0.00 0.00 0.00 0.00 34.95 33.15 3i22 s ARG 15 CO 0.01 -2.29 1.14 1.28 0.00 0.00 0.00 175.30 175.44 3i22 n LEU 16 N -3.64 4.79 0.25 2.53 7.99 -1.26 -4.74 117.00 122.92 3i22 n LEU 16 Ca 0.12 0.84 0.15 0.00 -0.01 0.00 0.00 56.01 57.11 3i22 n LEU 16 Cb 0.51 -1.47 0.84 0.00 -0.11 0.00 0.00 43.42 43.19 3i22 n LEU 16 CO 0.49 -1.38 1.13 -0.65 -1.51 0.00 0.00 177.39 175.46 3i22 h PRO 17 N 0.62 0.00 -0.17 3.23 0.11 -1.96 -0.43 132.00 133.40 3i22 h PRO 17 Ca -0.50 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 3i22 h PRO 17 Cb 1.35 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 3i22 h PRO 17 CO 0.52 0.00 -0.60 -0.22 -0.21 0.00 0.00 178.00 177.49 3i22 h LYS 18 N 0.00 0.57 -0.02 1.05 3.64 -1.99 -1.11 116.57 118.71 3i22 h LYS 18 Ca 0.03 -0.39 -0.04 0.00 -1.27 0.00 0.00 60.65 58.99 3i22 h LYS 18 Cb 0.18 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3i22 h LYS 18 CO -0.00 1.01 -0.13 0.45 -2.27 0.00 0.00 179.45 178.51 3i22 h HIS 19 N 0.43 0.16 -0.74 1.91 3.86 -1.49 -2.39 115.15 116.88 3i22 h HIS 19 Ca -0.00 -0.08 0.17 0.00 -1.16 0.00 0.00 60.37 59.30 3i22 h HIS 19 Cb 1.17 -0.02 -0.13 0.00 1.06 0.00 0.00 27.41 29.49 3i22 h HIS 19 CO 0.05 0.79 0.04 0.87 0.86 0.00 0.00 177.93 180.54 3i22 h LYS 20 N -0.51 0.13 0.12 2.45 1.57 -1.19 -1.07 116.57 118.07 3i22 h LYS 20 Ca -0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3i22 h LYS 20 Cb 0.81 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 3i22 h LYS 20 CO 0.03 0.08 -0.09 0.00 -0.57 0.00 0.00 179.45 178.90 3i22 h ALA 21 N 1.68 -0.19 -0.22 3.86 0.00 -1.20 -1.84 119.26 121.35 3i22 h ALA 21 Ca 0.41 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.35 3i22 h ALA 21 Cb 0.72 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3i22 h ALA 21 CO -0.63 -0.62 0.16 1.79 0.00 0.00 0.00 179.25 179.96 3i22 h THR 22 N -0.21 0.82 -0.16 0.00 1.35 -0.67 0.54 112.91 114.58 3i22 h THR 22 Ca -0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 66.41 65.66 3i22 h THR 22 Cb 0.19 0.88 0.01 0.00 -1.73 0.00 0.00 68.15 67.50 3i22 h THR 22 CO -0.01 0.00 -0.68 -0.07 -0.25 0.00 0.00 175.52 174.51 3i22 h LEU 23 N 0.00 0.88 -1.36 3.87 -0.00 -1.17 -1.76 115.31 115.78 3i22 h LEU 23 Ca 0.10 -0.62 0.00 0.00 -0.00 0.00 0.00 57.88 57.37 3i22 h LEU 23 Cb 0.43 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 3i22 h LEU 23 CO -0.00 1.35 0.07 0.18 -0.00 0.00 0.00 178.44 180.04 3i22 n LEU 24 N -4.02 0.53 -0.04 1.67 4.32 0.18 0.97 117.00 120.61 3i22 n LEU 24 Ca -0.07 0.73 0.04 0.00 -0.02 0.00 0.00 56.01 56.69 3i22 n LEU 24 Cb 0.70 -0.77 -0.16 0.00 -1.62 0.00 0.00 43.42 41.56 3i22 n LEU 24 CO 0.51 -0.91 -0.87 0.61 -1.22 0.00 0.00 177.39 175.52 3i22 n GLY 25 N -1.29 -0.97 0.06 -0.72 0.00 -0.45 -4.06 105.19 97.76 3i22 n GLY 25 Ca -0.01 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.67 3i22 n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i22 n LEU 26 N -2.38 0.84 -2.65 0.99 4.77 -0.03 -5.04 117.00 113.50 3i22 n LEU 26 Ca -0.12 -0.25 -0.02 0.00 -0.03 0.00 0.00 56.01 55.58 3i22 n LEU 26 Cb 0.73 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 3i22 n LEU 26 CO 0.44 0.19 -0.31 0.61 -1.33 0.00 0.00 177.39 176.99 3i22 n GLY 27 N 1.48 -3.36 3.15 -0.72 0.00 0.27 -4.99 105.19 101.02 3i22 n GLY 27 Ca 0.06 0.62 0.05 0.00 0.00 0.00 0.00 46.02 46.75 3i22 n GLY 27 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i22 s LEU 28 N -1.78 -0.98 0.00 0.99 2.34 -1.23 -4.89 118.68 113.13 3i22 s LEU 28 Ca 0.07 0.10 0.00 0.00 0.06 0.00 0.00 54.13 54.36 3i22 s LEU 28 Cb -0.02 1.61 0.00 0.00 -0.56 0.00 0.00 46.19 47.22 3i22 s LEU 28 CO 0.72 -0.18 0.12 0.54 -1.06 0.00 0.00 176.35 176.48 3i22 n ARG 29 N 5.23 0.00 0.00 1.48 3.00 -1.26 -4.81 116.66 120.30 3i22 n ARG 29 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.91 3i22 n ARG 29 Cb 0.56 -0.51 0.00 0.00 0.00 0.00 0.00 32.46 32.51 3i22 n ARG 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i22 n ARG 30 N -0.35 -0.67 -1.93 5.56 1.74 -1.26 -4.67 116.66 115.09 3i22 n ARG 30 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 3i22 n ARG 30 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 3i22 n ARG 30 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3i22 n ILE 31 N -2.47 2.45 -2.05 0.55 -5.35 -1.26 -4.57 119.36 106.66 3i22 n ILE 31 Ca 0.00 -2.43 -0.02 0.00 -0.27 0.00 0.00 62.75 60.03 3i22 n ILE 31 Cb 0.00 -2.28 -0.02 0.00 -1.74 0.00 0.00 39.64 35.60 3i22 n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i22 n GLY 32 N 5.26 -3.95 0.00 3.28 0.00 -1.26 -4.40 105.19 104.12 3i22 n GLY 32 Ca 0.47 0.53 0.04 0.00 0.00 0.00 0.00 46.02 47.06 3i22 n GLY 32 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i22 n HIS 33 N 0.69 0.00 -3.38 1.61 -0.00 -1.26 -4.70 115.22 108.18 3i22 n HIS 33 Ca -0.15 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 57.85 3i22 n HIS 33 Cb 0.23 -0.18 0.08 0.00 -0.12 0.00 0.00 29.99 30.00 3i22 n HIS 33 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 3i22 n THR 34 N -1.18 -4.59 -2.39 3.57 -1.04 -1.24 -4.92 114.28 102.49 3i22 n THR 34 Ca 0.04 -0.31 -0.41 0.00 -2.04 0.00 0.00 64.05 61.33 3i22 n THR 34 Cb 0.05 -4.46 -0.03 0.00 -1.82 0.00 0.00 70.33 64.06 3i22 n THR 34 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i22 s VAL 35 N -3.32 3.58 -0.43 12.58 0.11 -1.02 -4.51 120.40 127.39 3i22 s VAL 35 Ca 0.18 1.35 -0.19 0.00 -2.93 0.00 0.00 61.98 60.39 3i22 s VAL 35 Cb -0.08 -3.86 0.02 0.00 -1.53 0.00 0.00 36.38 30.93 3i22 s VAL 35 CO 0.67 0.23 0.55 -0.70 -3.33 0.00 0.00 175.10 172.52 3i22 s GLU 36 N -0.35 3.23 0.00 1.54 2.12 -1.26 -0.15 118.70 123.83 3i22 s GLU 36 Ca 0.52 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 55.33 3i22 s GLU 36 Cb -0.32 -3.95 0.00 0.00 0.26 0.00 0.00 34.13 30.12 3i22 s GLU 36 CO 0.37 -0.92 0.00 -2.13 -0.54 0.00 0.00 175.26 172.04 3i22 n ARG 37 N 5.96 0.00 -1.71 4.30 3.00 -1.22 -5.02 116.66 121.97 3i22 n ARG 37 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.81 3i22 n ARG 37 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 32.46 32.92 3i22 n ARG 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3i22 n GLU 38 N -0.16 0.06 -3.19 -0.14 0.00 -1.22 -5.01 120.64 110.97 3i22 n GLU 38 Ca 0.00 -0.14 -0.24 0.00 0.00 0.00 0.00 57.16 56.78 3i22 n GLU 38 Cb 0.00 0.20 -0.06 0.00 0.00 0.00 0.00 31.44 31.58 3i22 n GLU 38 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3i22 n ASP 39 N -0.61 2.17 -4.83 4.31 4.64 -1.26 -4.62 116.55 116.36 3i22 n ASP 39 Ca -0.00 -3.18 -0.36 0.00 -1.38 0.00 0.00 54.79 49.87 3i22 n ASP 39 Cb 0.06 -0.63 -0.07 0.00 -1.04 0.00 0.00 41.12 39.45 3i22 n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3i22 s THR 40 N -2.53 5.30 -0.44 5.18 2.01 -1.26 -4.89 115.64 119.02 3i22 s THR 40 Ca 0.41 0.13 0.07 0.00 0.31 0.00 0.00 61.69 62.61 3i22 s THR 40 Cb 0.23 -3.31 0.07 0.00 0.01 0.00 0.00 72.50 69.51 3i22 s THR 40 CO -0.08 0.60 1.11 -2.65 -0.69 0.00 0.00 174.62 172.91 3i22 n PRO 41 N 2.14 0.05 0.00 4.92 -0.02 -1.26 0.10 135.00 140.93 3i22 n PRO 41 Ca -0.19 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3i22 n PRO 41 Cb 0.55 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3i22 n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i22 n ALA 42 N -1.49 -0.20 0.31 3.55 0.00 -1.26 -0.29 120.51 121.13 3i22 n ALA 42 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 3i22 n ALA 42 Cb 0.17 0.00 0.95 0.00 0.00 0.00 0.00 19.45 20.57 3i22 n ALA 42 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3i22 h ILE 43 N 0.00 0.00 0.00 0.00 -0.00 -1.76 0.26 117.51 116.01 3i22 h ILE 43 Ca 0.00 -0.19 -0.04 0.00 -0.00 0.00 0.00 64.86 64.63 3i22 h ILE 43 Cb 0.00 1.12 -0.01 0.00 -0.00 0.00 0.00 36.82 37.94 3i22 h ILE 43 CO 0.00 0.00 -0.87 -0.09 -0.00 0.00 0.00 178.15 177.19 3i22 h ARG 44 N 0.00 0.00 0.00 0.16 2.43 -0.46 -3.20 114.38 113.32 3i22 h ARG 44 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i22 h ARG 44 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3i22 h ARG 44 CO 0.00 0.09 0.00 0.78 -1.51 0.00 0.00 179.97 179.33 3i22 h GLY 45 N 3.91 0.00 1.48 2.80 0.00 0.26 -3.03 103.07 108.48 3i22 h GLY 45 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.00 3i22 h GLY 45 CO 0.01 0.00 -1.35 -0.33 0.00 0.00 0.00 176.54 174.88 3i22 h MET 46 N 0.00 0.33 -0.11 4.80 2.86 -1.32 -3.38 114.93 118.11 3i22 h MET 46 Ca 0.00 -0.57 0.04 0.00 -2.06 0.00 0.00 59.70 57.11 3i22 h MET 46 Cb 0.65 0.21 -0.06 0.00 0.06 0.00 0.00 31.60 32.46 3i22 h MET 46 CO 0.00 1.26 -0.42 0.82 1.06 0.00 0.00 176.91 179.63 3i22 h ILE 47 N 0.09 0.14 -0.88 -1.22 1.08 -1.53 -1.32 117.51 113.87 3i22 h ILE 47 Ca -0.18 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.55 3i22 h ILE 47 Cb 2.03 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 35.88 3i22 h ILE 47 CO 0.21 0.00 0.67 -0.55 -0.69 0.00 0.00 178.15 177.79 3i22 h ASN 48 N -0.51 0.00 0.64 1.72 -1.07 -1.73 -0.73 115.58 113.90 3i22 h ASN 48 Ca 0.07 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.41 3i22 h ASN 48 Cb 0.63 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.89 3i22 h ASN 48 CO -0.39 0.00 -0.31 0.00 0.07 0.00 0.00 177.43 176.81 3i22 h ALA 49 N 1.49 -0.86 -0.91 4.14 0.00 -1.43 -3.31 119.26 118.38 3i22 h ALA 49 Ca 0.42 -0.20 -0.68 0.00 0.00 0.00 0.00 54.91 54.45 3i22 h ALA 49 Cb 1.75 0.33 -0.26 0.00 0.00 0.00 0.00 17.79 19.62 3i22 h ALA 49 CO -0.00 -0.81 0.89 1.33 0.00 0.00 0.00 179.25 180.65 3i22 n VAL 50 N -5.35 3.53 -0.08 0.00 0.24 -0.39 -4.71 118.33 111.58 3i22 n VAL 50 Ca -0.11 -3.51 -0.15 0.00 -2.04 0.00 0.00 64.34 58.53 3i22 n VAL 50 Cb 0.35 -1.26 -0.05 0.00 -1.47 0.00 0.00 33.84 31.41 3i22 n VAL 50 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3i22 h SER 51 N 2.56 0.88 0.00 -1.34 4.64 -1.37 -2.95 113.55 115.97 3i22 h SER 51 Ca 0.54 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3i22 h SER 51 Cb 0.43 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3i22 h SER 51 CO 1.39 1.24 0.00 2.22 -0.87 0.00 0.00 176.83 180.81 3i22 n PHE 52 N -4.10 0.00 -2.68 4.77 -1.74 -1.26 -1.58 117.46 110.86 3i22 n PHE 52 Ca -0.05 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.84 3i22 n PHE 52 Cb 0.59 -0.01 0.06 0.00 1.52 0.00 0.00 39.48 41.64 3i22 n PHE 52 CO 0.00 0.00 0.00 -1.33 -0.56 0.00 0.00 176.76 174.87 3i22 n MET 53 N -0.26 1.28 -3.66 3.97 2.81 -1.11 -4.84 117.12 115.30 3i22 n MET 53 Ca 0.00 -2.43 -0.08 0.00 -1.81 0.00 0.00 57.70 53.37 3i22 n MET 53 Cb 0.01 -0.63 -0.09 0.00 -0.71 0.00 0.00 33.22 31.80 3i22 n MET 53 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3i22 s VAL 54 N -1.85 -0.65 -0.06 2.03 -7.23 -0.62 -4.07 120.40 107.95 3i22 s VAL 54 Ca 0.20 0.17 -0.14 0.00 -1.81 0.00 0.00 61.98 60.40 3i22 s VAL 54 Cb 0.34 -0.67 -0.05 0.00 0.56 0.00 0.00 36.38 36.57 3i22 s VAL 54 CO -0.08 0.07 0.36 -0.75 -0.31 0.00 0.00 175.10 174.39 3i22 s LYS 55 N 2.61 3.98 -0.17 4.82 2.36 -1.07 -4.92 119.74 127.35 3i22 s LYS 55 Ca -0.02 0.29 -0.02 0.00 -2.55 0.00 0.00 55.97 53.67 3i22 s LYS 55 Cb -0.12 -3.29 -0.01 0.00 -1.05 0.00 0.00 37.83 33.36 3i22 s LYS 55 CO -0.13 0.54 -0.09 0.08 1.55 0.00 0.00 175.35 177.30 3i22 s VAL 56 N -0.54 3.22 -0.19 4.02 1.01 -1.26 -3.21 120.40 123.44 3i22 s VAL 56 Ca 0.21 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 3i22 s VAL 56 Cb -0.15 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 3i22 s VAL 56 CO 0.10 0.49 0.02 -0.70 0.00 0.00 0.00 175.10 175.00 3i22 s GLU 57 N 0.80 3.72 0.00 2.72 2.12 -1.09 -5.00 118.70 121.97 3i22 s GLU 57 Ca -0.03 -0.47 0.25 0.00 0.36 0.00 0.00 54.97 55.07 3i22 s GLU 57 Cb -0.15 -3.11 0.37 0.00 0.26 0.00 0.00 34.13 31.49 3i22 s GLU 57 CO 0.01 0.09 1.36 -1.91 -0.54 0.00 0.00 175.26 174.27