#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n LYS 2 N 0.00 -0.28 0.00 0.00 5.02 -1.26 -4.62 118.16 117.03 3i1t n LYS 2 Ca 0.00 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3i1t n LYS 2 Cb 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.67 3i1t n LYS 2 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3i1t n THR 3 N -1.86 0.00 -1.59 -0.18 -1.04 -1.26 -4.47 114.28 103.88 3i1t n THR 3 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i1t n THR 3 Cb 0.06 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 3i1t n THR 3 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3i1t n ILE 4 N -1.73 -5.29 -4.48 12.58 2.08 -1.26 -3.34 119.36 117.91 3i1t n ILE 4 Ca 0.00 2.39 -0.32 0.00 0.56 0.00 0.00 62.75 65.38 3i1t n ILE 4 Cb 0.00 -3.27 -0.11 0.00 -0.75 0.00 0.00 39.64 35.51 3i1t n ILE 4 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3i1t s LYS 5 N -3.62 2.49 0.38 0.38 1.02 -1.16 -3.19 119.74 116.04 3i1t s LYS 5 Ca 0.00 -0.75 0.08 0.00 0.02 0.00 0.00 55.97 55.31 3i1t s LYS 5 Cb 0.00 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 3i1t s LYS 5 CO 0.00 0.59 0.33 0.42 -0.92 0.00 0.00 175.35 175.78 3i1t s ILE 6 N -0.99 3.05 0.10 2.17 -1.09 0.48 -2.12 121.20 122.80 3i1t s ILE 6 Ca 0.17 -1.37 -0.24 0.00 -2.23 0.00 0.00 60.65 56.98 3i1t s ILE 6 Cb -0.11 -3.08 0.07 0.00 -1.58 0.00 0.00 42.46 37.76 3i1t s ILE 6 CO 0.07 -0.08 0.59 -0.89 -1.23 0.00 0.00 174.94 173.40 3i1t s THR 7 N -2.40 0.01 -0.15 2.92 2.01 -1.17 -2.23 115.64 114.64 3i1t s THR 7 Ca 0.45 -0.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.27 3i1t s THR 7 Cb -0.04 -1.01 -0.07 0.00 0.01 0.00 0.00 72.50 71.39 3i1t s THR 7 CO 0.27 -0.04 -0.02 -0.61 -0.69 0.00 0.00 174.62 173.53 3i1t h GLN 8 N 2.33 0.00 0.00 4.92 4.15 -1.78 -3.10 115.11 121.63 3i1t h GLN 8 Ca -0.32 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.10 3i1t h GLN 8 Cb 1.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.95 3i1t h GLN 8 CO 0.39 0.24 0.00 0.25 -1.93 0.00 0.00 178.83 177.78 3i1t n THR 9 N -4.62 0.00 -3.67 2.39 -2.24 -1.26 -3.29 114.28 101.59 3i1t n THR 9 Ca -0.10 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 3i1t n THR 9 Cb 0.30 -0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.42 3i1t n THR 9 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i1t s ARG 10 N -0.00 0.29 0.31 -0.78 0.52 -1.26 -5.04 118.95 112.98 3i1t s ARG 10 Ca 0.00 0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 55.80 3i1t s ARG 10 Cb 0.00 0.15 -0.11 0.00 0.52 0.00 0.00 34.95 35.51 3i1t s ARG 10 CO 0.00 -0.24 1.58 -1.54 0.02 0.00 0.00 175.30 175.12 3i1t s SER 11 N 2.25 6.37 -0.11 0.23 1.04 -1.26 -4.84 113.70 117.39 3i1t s SER 11 Ca -0.03 2.97 0.00 0.00 0.48 0.00 0.00 55.95 59.37 3i1t s SER 11 Cb -0.11 -2.64 0.10 0.00 0.10 0.00 0.00 66.02 63.47 3i1t s SER 11 CO -0.11 -0.91 1.60 0.00 0.98 0.00 0.00 173.24 174.80 3i1t n ALA 12 N 1.92 3.79 -0.97 5.32 0.00 -1.26 -4.71 120.51 124.60 3i1t n ALA 12 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3i1t n ALA 12 Cb 0.38 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3i1t n ALA 12 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i1t n ILE 13 N 0.63 0.00 1.90 0.00 5.41 -1.26 -3.71 119.36 122.34 3i1t n ILE 13 Ca 0.12 0.84 0.08 0.00 1.00 0.00 0.00 62.75 64.79 3i1t n ILE 13 Cb 0.62 -1.67 0.50 0.00 -0.71 0.00 0.00 39.64 38.38 3i1t n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i1t n GLY 14 N 0.01 -0.95 3.69 7.39 0.00 -1.26 -4.89 105.19 109.18 3i1t n GLY 14 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3i1t n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1t s ARG 15 N -2.00 1.29 0.77 1.61 3.00 -1.24 -4.97 118.95 117.41 3i1t s ARG 15 Ca 0.25 1.55 -0.15 0.00 0.00 0.00 0.00 55.73 57.39 3i1t s ARG 15 Cb 0.12 -1.76 0.02 0.00 0.00 0.00 0.00 34.95 33.33 3i1t s ARG 15 CO 0.19 -2.43 0.85 1.28 0.00 0.00 0.00 175.30 175.19 3i1t n LEU 16 N -3.95 2.63 0.25 2.53 7.99 -1.26 -4.73 117.00 120.46 3i1t n LEU 16 Ca 0.12 0.59 0.11 0.00 -0.01 0.00 0.00 56.01 56.82 3i1t n LEU 16 Cb 0.52 -1.36 0.66 0.00 -0.11 0.00 0.00 43.42 43.13 3i1t n LEU 16 CO 0.49 -2.41 0.94 -0.65 -1.51 0.00 0.00 177.39 174.26 3i1t h PRO 17 N -0.60 0.00 -0.31 3.23 0.11 -1.97 -1.41 132.00 131.05 3i1t h PRO 17 Ca -0.46 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 3i1t h PRO 17 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 3i1t h PRO 17 CO 0.44 0.15 -0.41 -0.22 -0.21 0.00 0.00 178.00 177.75 3i1t h LYS 18 N 0.00 0.76 0.32 1.05 3.64 -1.98 -1.73 116.57 118.63 3i1t h LYS 18 Ca -0.00 -0.41 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 3i1t h LYS 18 Cb 0.38 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3i1t h LYS 18 CO 0.02 1.03 -0.16 0.45 -2.27 0.00 0.00 179.45 178.53 3i1t h HIS 19 N 0.62 -0.40 -1.15 1.91 3.86 -1.82 -2.59 115.15 115.59 3i1t h HIS 19 Ca 0.05 -0.01 0.43 0.00 -1.16 0.00 0.00 60.37 59.68 3i1t h HIS 19 Cb 0.97 0.13 -0.16 0.00 1.06 0.00 0.00 27.41 29.41 3i1t h HIS 19 CO 0.05 -0.09 0.67 0.87 0.86 0.00 0.00 177.93 180.29 3i1t h LYS 20 N -1.00 0.03 -0.01 2.45 1.57 -1.33 0.45 116.57 118.73 3i1t h LYS 20 Ca -0.04 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 3i1t h LYS 20 Cb 0.49 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3i1t h LYS 20 CO 0.07 0.02 -0.69 0.00 -0.57 0.00 0.00 179.45 178.28 3i1t h ALA 21 N 1.84 0.84 0.00 3.86 0.00 -1.26 -2.81 119.26 121.72 3i1t h ALA 21 Ca 0.85 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3i1t h ALA 21 Cb 2.42 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 20.11 3i1t h ALA 21 CO -0.64 0.85 -0.08 1.79 0.00 0.00 0.00 179.25 181.17 3i1t h THR 22 N 0.03 0.15 0.19 0.00 1.35 0.29 -3.08 112.91 111.85 3i1t h THR 22 Ca -0.01 -0.98 -0.31 0.00 -0.55 0.00 0.00 66.41 64.56 3i1t h THR 22 Cb 1.22 1.86 0.02 0.00 -1.73 0.00 0.00 68.15 69.52 3i1t h THR 22 CO 0.09 0.08 -1.40 -0.07 -0.25 0.00 0.00 175.52 173.96 3i1t h LEU 23 N 0.00 0.64 0.00 3.87 -0.00 -1.36 -2.44 115.31 116.01 3i1t h LEU 23 Ca -0.00 -0.70 0.00 0.00 -0.00 0.00 0.00 57.88 57.17 3i1t h LEU 23 Cb 0.85 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 3i1t h LEU 23 CO 0.01 1.56 0.00 0.18 -0.00 0.00 0.00 178.44 180.19 3i1t n LEU 24 N -3.62 0.00 -0.00 1.67 4.32 -1.07 0.14 117.00 118.43 3i1t n LEU 24 Ca -0.14 0.41 0.05 0.00 -0.02 0.00 0.00 56.01 56.31 3i1t n LEU 24 Cb 1.07 -0.41 -0.08 0.00 -1.62 0.00 0.00 43.42 42.38 3i1t n LEU 24 CO 0.57 -0.37 -0.57 0.61 -1.22 0.00 0.00 177.39 176.41 3i1t n GLY 25 N -1.14 -0.41 0.05 -0.72 0.00 -1.17 -4.19 105.19 97.61 3i1t n GLY 25 Ca 0.01 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.91 3i1t n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1t n LEU 26 N -1.80 0.64 -2.65 0.99 4.77 -0.65 -5.05 117.00 113.25 3i1t n LEU 26 Ca -0.02 0.07 -0.01 0.00 -0.03 0.00 0.00 56.01 56.03 3i1t n LEU 26 Cb 0.25 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3i1t n LEU 26 CO 0.21 -0.00 -0.49 0.61 -1.33 0.00 0.00 177.39 176.39 3i1t n GLY 27 N 1.34 -4.36 3.15 -0.72 0.00 0.36 -4.99 105.19 99.98 3i1t n GLY 27 Ca 0.02 0.55 0.05 0.00 0.00 0.00 0.00 46.02 46.64 3i1t n GLY 27 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i1t s LEU 28 N -1.47 -0.95 0.00 0.99 2.34 -1.21 -4.88 118.68 113.50 3i1t s LEU 28 Ca -0.03 0.13 0.00 0.00 0.06 0.00 0.00 54.13 54.30 3i1t s LEU 28 Cb 0.00 1.61 0.00 0.00 -0.56 0.00 0.00 46.19 47.24 3i1t s LEU 28 CO 0.75 -0.17 0.16 0.54 -1.06 0.00 0.00 176.35 176.56 3i1t n ARG 29 N 5.26 0.00 0.00 1.48 3.00 -1.26 -4.80 116.66 120.33 3i1t n ARG 29 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.91 3i1t n ARG 29 Cb 0.56 -0.59 0.00 0.00 0.00 0.00 0.00 32.46 32.43 3i1t n ARG 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i1t n ARG 30 N -0.40 -0.26 -2.44 5.56 1.74 -1.26 -4.75 116.66 114.85 3i1t n ARG 30 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 3i1t n ARG 30 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 3i1t n ARG 30 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3i1t n ILE 31 N -2.01 3.46 -1.94 0.55 -5.35 -1.26 -4.57 119.36 108.23 3i1t n ILE 31 Ca 0.00 -3.59 -0.01 0.00 -0.27 0.00 0.00 62.75 58.89 3i1t n ILE 31 Cb 0.00 -2.31 -0.01 0.00 -1.74 0.00 0.00 39.64 35.58 3i1t n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i1t n GLY 32 N 5.47 -3.52 0.00 3.28 0.00 -1.26 -4.44 105.19 104.72 3i1t n GLY 32 Ca 0.48 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.66 3i1t n GLY 32 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i1t n HIS 33 N 0.37 0.00 -3.46 1.61 -0.00 -1.26 -4.71 115.22 107.76 3i1t n HIS 33 Ca -0.05 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.95 3i1t n HIS 33 Cb 0.07 -0.18 0.09 0.00 -0.12 0.00 0.00 29.99 29.84 3i1t n HIS 33 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 3i1t n THR 34 N -1.18 -4.92 -2.52 3.57 -1.04 -1.24 -4.90 114.28 102.05 3i1t n THR 34 Ca 0.03 -0.33 -0.41 0.00 -2.04 0.00 0.00 64.05 61.30 3i1t n THR 34 Cb 0.03 -4.62 -0.04 0.00 -1.82 0.00 0.00 70.33 63.87 3i1t n THR 34 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i1t s VAL 35 N -3.34 3.86 -0.45 12.58 0.11 -0.95 -4.50 120.40 127.72 3i1t s VAL 35 Ca 0.19 1.62 -0.20 0.00 -2.93 0.00 0.00 61.98 60.66 3i1t s VAL 35 Cb -0.08 -4.03 0.03 0.00 -1.53 0.00 0.00 36.38 30.76 3i1t s VAL 35 CO 0.72 0.28 0.60 -0.70 -3.33 0.00 0.00 175.10 172.67 3i1t s GLU 36 N -0.40 3.21 0.00 1.54 2.12 -1.26 -0.39 118.70 123.52 3i1t s GLU 36 Ca 0.49 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.28 3i1t s GLU 36 Cb -0.29 -3.98 0.00 0.00 0.26 0.00 0.00 34.13 30.12 3i1t s GLU 36 CO 0.35 -1.02 0.00 -2.13 -0.54 0.00 0.00 175.26 171.92 3i1t n ARG 37 N 6.12 0.00 -1.58 4.30 3.00 -1.19 -5.01 116.66 122.30 3i1t n ARG 37 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.81 3i1t n ARG 37 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.93 3i1t n ARG 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3i1t n GLU 38 N 0.00 0.05 -3.20 -0.14 0.00 -1.21 -4.99 120.64 111.15 3i1t n GLU 38 Ca 0.00 -0.11 -0.24 0.00 0.00 0.00 0.00 57.16 56.81 3i1t n GLU 38 Cb 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 31.44 31.53 3i1t n GLU 38 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3i1t n ASP 39 N -0.65 2.15 -4.82 4.31 4.64 -1.26 -4.63 116.55 116.29 3i1t n ASP 39 Ca -0.00 -3.17 -0.36 0.00 -1.38 0.00 0.00 54.79 49.88 3i1t n ASP 39 Cb 0.04 -0.63 -0.07 0.00 -1.04 0.00 0.00 41.12 39.43 3i1t n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3i1t s THR 40 N -2.51 5.35 -0.20 5.18 2.01 -1.26 -4.86 115.64 119.35 3i1t s THR 40 Ca 0.40 0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.65 3i1t s THR 40 Cb 0.23 -3.35 0.09 0.00 0.01 0.00 0.00 72.50 69.48 3i1t s THR 40 CO -0.08 0.58 1.17 -2.65 -0.69 0.00 0.00 174.62 172.94 3i1t n PRO 41 N 2.37 0.06 0.00 4.92 -0.02 -1.26 -0.11 135.00 140.96 3i1t n PRO 41 Ca -0.19 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3i1t n PRO 41 Cb 0.54 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3i1t n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1t n ALA 42 N -1.50 -0.18 0.33 3.55 0.00 -1.26 0.26 120.51 121.71 3i1t n ALA 42 Ca -0.01 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.65 3i1t n ALA 42 Cb 0.26 0.00 1.16 0.00 0.00 0.00 0.00 19.45 20.87 3i1t n ALA 42 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3i1t h ILE 43 N 0.00 0.06 0.00 0.00 -0.00 -1.71 0.73 117.51 116.59 3i1t h ILE 43 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 64.86 64.82 3i1t h ILE 43 Cb 0.00 1.03 0.00 0.00 -0.00 0.00 0.00 36.82 37.85 3i1t h ILE 43 CO 0.00 0.00 -0.78 -0.09 -0.00 0.00 0.00 178.15 177.28 3i1t h ARG 44 N 0.00 0.00 0.00 0.16 2.43 -0.62 -3.00 114.38 113.36 3i1t h ARG 44 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i1t h ARG 44 Cb 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3i1t h ARG 44 CO 0.00 0.00 0.00 0.78 -1.51 0.00 0.00 179.97 179.24 3i1t h GLY 45 N 4.32 0.00 0.84 2.80 0.00 0.50 -3.29 103.07 108.23 3i1t h GLY 45 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 3i1t h GLY 45 CO 0.00 0.00 -1.60 -0.33 0.00 0.00 0.00 176.54 174.61 3i1t h MET 46 N 0.00 0.36 -0.35 4.80 2.86 -1.17 -3.37 114.93 118.07 3i1t h MET 46 Ca 0.00 -0.62 0.03 0.00 -2.06 0.00 0.00 59.70 57.05 3i1t h MET 46 Cb 0.71 0.23 -0.04 0.00 0.06 0.00 0.00 31.60 32.56 3i1t h MET 46 CO 0.00 1.30 -0.23 0.82 1.06 0.00 0.00 176.91 179.86 3i1t h ILE 47 N -0.02 0.00 -1.34 -1.22 1.08 -1.60 -1.07 117.51 113.34 3i1t h ILE 47 Ca -0.32 0.00 0.39 0.00 -0.39 0.00 0.00 64.86 64.54 3i1t h ILE 47 Cb 2.00 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 35.69 3i1t h ILE 47 CO 0.15 0.00 0.99 -0.55 -0.69 0.00 0.00 178.15 178.05 3i1t h ASN 48 N -0.03 0.00 0.62 1.72 -1.07 -1.73 0.29 115.58 115.38 3i1t h ASN 48 Ca 0.06 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.40 3i1t h ASN 48 Cb 0.17 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.43 3i1t h ASN 48 CO -0.34 0.00 -0.30 0.00 0.07 0.00 0.00 177.43 176.86 3i1t h ALA 49 N 1.28 -0.96 -0.72 4.14 0.00 -1.38 -3.27 119.26 118.36 3i1t h ALA 49 Ca 0.64 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 54.83 3i1t h ALA 49 Cb 2.60 0.32 -0.21 0.00 0.00 0.00 0.00 17.79 20.50 3i1t h ALA 49 CO -0.01 -0.90 0.65 1.33 0.00 0.00 0.00 179.25 180.32 3i1t n VAL 50 N -4.84 3.28 0.04 0.00 0.24 0.90 -4.67 118.33 113.27 3i1t n VAL 50 Ca -0.10 -2.74 -0.04 0.00 -2.04 0.00 0.00 64.34 59.42 3i1t n VAL 50 Cb 0.33 -1.33 0.19 0.00 -1.47 0.00 0.00 33.84 31.56 3i1t n VAL 50 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3i1t h SER 51 N 2.21 0.43 0.00 -1.34 4.64 -1.27 -2.95 113.55 115.28 3i1t h SER 51 Ca 0.45 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3i1t h SER 51 Cb 0.70 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3i1t h SER 51 CO 1.13 0.75 0.00 2.22 -0.87 0.00 0.00 176.83 180.06 3i1t n PHE 52 N -4.07 0.00 -2.76 4.77 -1.74 -1.26 -2.60 117.46 109.80 3i1t n PHE 52 Ca -0.01 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.86 3i1t n PHE 52 Cb 0.45 -0.02 0.07 0.00 1.52 0.00 0.00 39.48 41.51 3i1t n PHE 52 CO 0.00 0.00 0.00 -1.33 -0.56 0.00 0.00 176.76 174.87 3i1t n MET 53 N -0.31 1.52 -3.65 3.97 2.81 -1.11 -4.82 117.12 115.52 3i1t n MET 53 Ca 0.00 -2.78 -0.04 0.00 -1.81 0.00 0.00 57.70 53.07 3i1t n MET 53 Cb 0.05 -0.94 -0.06 0.00 -0.71 0.00 0.00 33.22 31.56 3i1t n MET 53 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3i1t s VAL 54 N -2.45 -0.78 -0.00 2.03 -7.23 -1.07 -4.00 120.40 106.90 3i1t s VAL 54 Ca 0.22 0.06 -0.12 0.00 -1.81 0.00 0.00 61.98 60.34 3i1t s VAL 54 Cb 0.38 -0.87 -0.05 0.00 0.56 0.00 0.00 36.38 36.39 3i1t s VAL 54 CO -0.05 0.03 0.34 -0.75 -0.31 0.00 0.00 175.10 174.36 3i1t s LYS 55 N 2.67 3.76 -0.15 4.82 2.36 -1.17 -4.92 119.74 127.11 3i1t s LYS 55 Ca -0.05 0.22 -0.00 0.00 -2.55 0.00 0.00 55.97 53.58 3i1t s LYS 55 Cb -0.11 -3.15 -0.01 0.00 -1.05 0.00 0.00 37.83 33.50 3i1t s LYS 55 CO -0.17 0.68 -0.13 0.08 1.55 0.00 0.00 175.35 177.36 3i1t s VAL 56 N -1.16 2.90 -0.18 4.02 1.01 -1.26 -3.03 120.40 122.70 3i1t s VAL 56 Ca 0.24 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 3i1t s VAL 56 Cb -0.15 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3i1t s VAL 56 CO 0.13 0.51 0.02 -0.70 0.00 0.00 0.00 175.10 175.06 3i1t s GLU 57 N 0.70 3.80 0.00 2.72 2.12 -0.90 -4.99 118.70 122.14 3i1t s GLU 57 Ca -0.06 -0.44 0.25 0.00 0.36 0.00 0.00 54.97 55.07 3i1t s GLU 57 Cb -0.15 -3.10 0.30 0.00 0.26 0.00 0.00 34.13 31.43 3i1t s GLU 57 CO 0.02 0.19 1.32 -1.91 -0.54 0.00 0.00 175.26 174.34