#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5k h ARG 2 N 0.00 0.77 -5.49 0.03 3.08 -2.12 -3.38 114.38 107.27 2k5k h ARG 2 Ca 0.00 -0.22 -0.63 0.00 0.07 0.00 0.00 59.98 59.20 2k5k h ARG 2 Cb 0.00 -0.08 -0.14 0.00 0.08 0.00 0.00 29.97 29.82 2k5k h ARG 2 CO 0.00 0.80 0.48 0.34 -1.07 0.00 0.00 179.97 180.52 2k5k s ASP 3 N -6.67 6.23 -0.13 7.04 -1.08 -1.26 -4.99 116.67 115.81 2k5k s ASP 3 Ca -0.09 -0.81 -0.06 0.00 -0.52 0.00 0.00 52.55 51.07 2k5k s ASP 3 Cb 0.14 -2.41 0.06 0.00 -1.46 0.00 0.00 42.92 39.25 2k5k s ASP 3 CO 0.81 -1.31 0.30 -0.32 0.52 0.00 0.00 175.17 175.18 2k5k s MET 4 N 3.82 0.25 -0.05 4.34 1.75 -1.26 -5.02 119.30 123.13 2k5k s MET 4 Ca 0.23 0.67 -0.01 0.00 -1.25 0.00 0.00 55.69 55.33 2k5k s MET 4 Cb -0.16 -0.05 0.00 0.00 2.84 0.00 0.00 34.83 37.46 2k5k s MET 4 CO 0.13 -0.19 0.01 2.41 -0.65 0.00 0.00 175.02 176.73 2k5k n THR 5 N 4.50 -3.80 -0.67 10.11 -1.04 -1.26 -4.95 114.28 117.17 2k5k n THR 5 Ca -0.21 0.71 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 2k5k n THR 5 Cb 0.53 -3.64 0.00 0.00 -1.82 0.00 0.00 70.33 65.39 2k5k n THR 5 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k5k n GLU 6 N 1.49 0.97 -3.93 -2.82 1.02 -1.26 -5.05 120.64 111.05 2k5k n GLU 6 Ca -0.02 -0.82 -0.16 0.00 -0.02 0.00 0.00 57.16 56.14 2k5k n GLU 6 Cb 0.33 -0.66 -0.16 0.00 -0.02 0.00 0.00 31.44 30.93 2k5k n GLU 6 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2k5k s GLU 7 N -0.32 0.23 -0.05 3.49 2.56 -1.26 -5.15 118.70 118.20 2k5k s GLU 7 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 54.97 55.04 2k5k s GLU 7 Cb 0.00 -0.38 0.01 0.00 2.00 0.00 0.00 34.13 35.77 2k5k s GLU 7 CO 0.00 -0.09 -0.10 0.99 -0.56 0.00 0.00 175.26 175.50 2k5k s THR 8 N 0.75 0.95 0.00 -1.70 2.01 -1.26 -5.10 115.64 111.29 2k5k s THR 8 Ca -0.07 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2k5k s THR 8 Cb -0.10 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.52 2k5k s THR 8 CO -0.01 0.31 0.00 0.54 -0.69 0.00 0.00 174.62 174.77 2k5k n ARG 9 N 3.78 0.00 -1.55 4.92 1.74 -1.26 -4.48 116.66 119.81 2k5k n ARG 9 Ca -0.23 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.46 2k5k n ARG 9 Cb 0.52 -0.25 -0.04 0.00 -1.02 0.00 0.00 32.46 31.66 2k5k n ARG 9 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2k5k n LYS 10 N 0.00 1.14 -3.73 5.56 4.76 -1.26 -4.88 118.16 119.76 2k5k n LYS 10 Ca 0.00 0.12 -0.14 0.00 -2.87 0.00 0.00 58.31 55.42 2k5k n LYS 10 Cb 0.00 -3.19 -0.08 0.00 -1.84 0.00 0.00 35.03 29.92 2k5k n LYS 10 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2k5k s ASP 11 N 10.89 -0.25 -0.46 4.39 2.15 -1.26 -5.13 116.67 127.01 2k5k s ASP 11 Ca 1.03 0.15 -0.07 0.00 0.43 0.00 0.00 52.55 54.08 2k5k s ASP 11 Cb -0.34 0.34 0.12 0.00 -0.30 0.00 0.00 42.92 42.74 2k5k s ASP 11 CO 0.31 -0.48 0.30 -0.76 -0.17 0.00 0.00 175.17 174.37 2k5k s LEU 12 N -1.36 5.53 0.34 -1.34 1.02 -1.26 -5.09 118.68 116.52 2k5k s LEU 12 Ca -0.13 -2.00 -0.26 0.00 0.02 0.00 0.00 54.13 51.76 2k5k s LEU 12 Cb -0.04 -1.94 -0.09 0.00 0.02 0.00 0.00 46.19 44.13 2k5k s LEU 12 CO 0.04 -0.63 1.01 -2.16 0.02 0.00 0.00 176.35 174.64 2k5k s PRO 13 N 1.21 4.43 0.00 1.29 0.04 -1.26 -5.07 135.00 135.64 2k5k s PRO 13 Ca 0.07 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2k5k s PRO 13 Cb -0.25 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.52 2k5k s PRO 13 CO -0.02 0.10 0.00 -0.35 0.04 0.00 0.00 177.00 176.77 2k5k n PRO 14 N 0.43 0.85 0.24 0.56 -0.04 -1.26 -4.63 135.00 131.16 2k5k n PRO 14 Ca 0.03 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.57 2k5k n PRO 14 Cb 0.49 0.00 0.46 0.00 -0.04 0.00 0.00 33.50 34.41 2k5k n PRO 14 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2k5k h GLU 15 N 0.00 0.00 -0.12 0.54 4.81 -2.02 0.38 114.58 118.17 2k5k h GLU 15 Ca 0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2k5k h GLU 15 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2k5k h GLU 15 CO 0.00 0.00 0.22 0.00 -0.73 0.00 0.00 179.01 178.50 2k5k h ALA 16 N 1.04 1.56 -0.61 2.92 0.00 -2.00 0.22 119.26 122.38 2k5k h ALA 16 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2k5k h ALA 16 Cb 0.83 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2k5k h ALA 16 CO 0.00 -0.28 0.28 1.37 0.00 0.00 0.00 179.25 180.61 2k5k h LEU 17 N 0.00 0.78 -0.20 0.00 8.10 -0.48 -1.93 115.31 121.58 2k5k h LEU 17 Ca 0.06 -0.08 -0.20 0.00 0.11 0.00 0.00 57.88 57.77 2k5k h LEU 17 Cb 0.50 -0.20 -0.02 0.00 -0.44 0.00 0.00 40.66 40.50 2k5k h LEU 17 CO -0.00 0.68 -0.92 -0.09 -4.11 0.00 0.00 178.44 174.00 2k5k h ARG 18 N 0.86 0.08 -0.26 0.17 2.43 -0.78 -3.07 114.38 113.80 2k5k h ARG 18 Ca 0.21 -0.10 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 2k5k h ARG 18 Cb 0.11 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2k5k h ARG 18 CO -0.03 0.94 0.52 0.00 -1.51 0.00 0.00 179.97 179.89 2k5k h ALA 19 N 1.03 1.86 0.00 2.80 0.00 -1.03 1.17 119.26 125.09 2k5k h ALA 19 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2k5k h ALA 19 Cb 1.59 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 2k5k h ALA 19 CO 0.13 -0.66 -0.04 -0.07 0.00 0.00 0.00 179.25 178.62 2k5k h LEU 20 N 0.00 0.00 -1.32 0.00 3.38 -1.51 -1.04 115.31 114.82 2k5k h LEU 20 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2k5k h LEU 20 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2k5k h LEU 20 CO -0.00 0.04 0.19 0.00 0.09 0.00 0.00 178.44 178.75 2k5k h ALA 21 N 1.96 1.47 -0.16 1.53 0.00 0.12 -1.06 119.26 123.12 2k5k h ALA 21 Ca -0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2k5k h ALA 21 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2k5k h ALA 21 CO 0.00 0.41 -0.21 0.93 0.00 0.00 0.00 179.25 180.38 2k5k h GLU 22 N 0.65 0.28 -0.44 0.00 5.08 -1.33 -2.10 114.58 116.72 2k5k h GLU 22 Ca 0.16 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2k5k h GLU 22 Cb 0.13 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2k5k h GLU 22 CO -0.02 0.48 0.01 0.00 -1.00 0.00 0.00 179.01 178.49 2k5k h ALA 23 N 1.53 1.20 -0.60 3.43 0.00 -1.23 -2.23 119.26 121.37 2k5k h ALA 23 Ca 0.04 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.80 2k5k h ALA 23 Cb 0.52 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2k5k h ALA 23 CO 0.04 0.53 0.40 1.49 0.00 0.00 0.00 179.25 181.70 2k5k h GLU 24 N 0.67 0.47 -0.69 0.00 4.81 -1.00 -0.55 114.58 118.29 2k5k h GLU 24 Ca 0.14 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 2k5k h GLU 24 Cb 0.40 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 2k5k h GLU 24 CO 0.01 0.31 0.25 0.93 -0.73 0.00 0.00 179.01 179.79 2k5k h GLU 25 N 0.49 1.05 -5.82 1.92 4.39 -1.38 -3.39 114.58 111.83 2k5k h GLU 25 Ca 0.27 -0.21 -0.61 0.00 0.34 0.00 0.00 59.36 59.15 2k5k h GLU 25 Cb 0.42 -0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 28.84 2k5k h GLU 25 CO -0.08 0.88 -0.27 0.50 -1.16 0.00 0.00 179.01 178.89 2k5k s ARG 26 N -5.49 3.93 -0.96 2.33 3.52 -0.21 -4.48 118.95 117.59 2k5k s ARG 26 Ca -0.13 0.26 -0.04 0.00 -0.13 0.00 0.00 55.73 55.69 2k5k s ARG 26 Cb 0.14 -3.27 -0.05 0.00 -1.56 0.00 0.00 34.95 30.21 2k5k s ARG 26 CO 0.82 0.58 0.85 -2.13 -0.81 0.00 0.00 175.30 174.61 2k5k n ARG 27 N 2.33 -1.97 0.24 5.12 0.63 -1.26 -4.85 116.66 116.90 2k5k n ARG 27 Ca -0.14 1.05 0.07 0.00 -0.92 0.00 0.00 57.85 57.91 2k5k n ARG 27 Cb 0.53 -5.81 0.58 0.00 0.45 0.00 0.00 32.46 28.20 2k5k n ARG 27 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k5k h ARG 28 N -0.63 0.01 0.00 -0.14 3.08 -1.79 -0.89 114.38 114.02 2k5k h ARG 28 Ca -0.43 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2k5k h ARG 28 Cb 1.22 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2k5k h ARG 28 CO 0.40 0.08 0.00 2.89 -1.07 0.00 0.00 179.97 182.27 2k5k n ARG 29 N -4.45 0.14 -0.37 0.04 1.85 -1.26 -2.12 116.66 110.49 2k5k n ARG 29 Ca -0.03 0.62 0.04 0.00 -1.00 0.00 0.00 57.85 57.48 2k5k n ARG 29 Cb 0.15 -1.94 0.19 0.00 -1.05 0.00 0.00 32.46 29.82 2k5k n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2k5k h ALA 30 N 2.01 1.43 -0.00 2.89 0.00 -1.50 1.51 119.26 125.61 2k5k h ALA 30 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k5k h ALA 30 Cb 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2k5k h ALA 30 CO 0.00 0.40 -0.03 1.63 0.00 0.00 0.00 179.25 181.25 2k5k n LYS 31 N -4.52 0.66 0.00 0.00 5.02 -0.90 -4.58 118.16 113.84 2k5k n LYS 31 Ca 0.16 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2k5k n LYS 31 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 2k5k n LYS 31 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k5k n ALA 32 N -1.10 1.52 0.00 7.82 0.00 0.79 -5.00 120.51 124.53 2k5k n ALA 32 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2k5k n ALA 32 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 2k5k n ALA 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k5k n LEU 33 N -0.52 0.00 -2.92 0.00 7.94 0.48 -4.71 117.00 117.28 2k5k n LEU 33 Ca 0.00 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 2k5k n LEU 33 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2k5k n LEU 33 CO 0.00 0.00 0.43 1.51 -1.11 0.00 0.00 177.39 178.22 2k5k s ASP 34 N 0.20 -0.52 0.06 1.96 -4.77 -1.26 -5.04 116.67 107.29 2k5k s ASP 34 Ca 0.00 -0.18 -0.12 0.00 -3.30 0.00 0.00 52.55 48.95 2k5k s ASP 34 Cb 0.00 0.84 -0.29 0.00 -1.09 0.00 0.00 42.92 42.38 2k5k s ASP 34 CO 0.00 -0.07 1.10 0.25 0.70 0.00 0.00 175.17 177.15 2k5k h LEU 35 N 6.10 0.77 -0.92 2.11 7.12 -1.99 -3.33 115.31 125.18 2k5k h LEU 35 Ca -0.04 -0.75 0.11 0.00 0.13 0.00 0.00 57.88 57.33 2k5k h LEU 35 Cb 1.21 -0.25 -0.08 0.00 -0.53 0.00 0.00 40.66 41.02 2k5k h LEU 35 CO -0.05 1.57 0.55 -0.65 -0.13 0.00 0.00 178.44 179.73 2k5k h PRO 36 N 0.21 0.86 -5.71 5.25 0.11 -2.00 -3.47 132.00 127.26 2k5k h PRO 36 Ca -0.19 -0.05 -0.32 0.00 0.11 0.00 0.00 66.00 65.55 2k5k h PRO 36 Cb 1.96 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 32.89 2k5k h PRO 36 CO 0.24 0.57 -0.86 1.17 -0.21 0.00 0.00 178.00 178.91 2k5k n LYS 37 N -4.69 -1.29 0.00 1.05 4.81 -1.25 -4.84 118.16 111.95 2k5k n LYS 37 Ca 0.17 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.44 2k5k n LYS 37 Cb 0.33 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.88 2k5k n LYS 37 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2k5k n GLU 38 N -0.90 0.00 -0.16 1.64 2.13 -1.26 -4.93 120.64 117.15 2k5k n GLU 38 Ca -0.13 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.58 2k5k n GLU 38 Cb 0.50 -0.02 -0.00 0.00 0.27 0.00 0.00 31.44 32.20 2k5k n GLU 38 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 2k5k h ILE 39 N 0.00 1.27 -0.09 6.31 2.10 -2.03 -3.49 117.51 121.58 2k5k h ILE 39 Ca 0.00 -1.15 0.00 0.00 1.08 0.00 0.00 64.86 64.79 2k5k h ILE 39 Cb 0.00 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.77 2k5k h ILE 39 CO 0.00 0.40 0.00 0.61 -1.08 0.00 0.00 178.15 178.08 2k5k n GLY 40 N -0.31 -1.46 0.00 8.18 0.00 -1.26 -5.07 105.19 105.27 2k5k n GLY 40 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2k5k n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5k n GLY 41 N 0.00 1.27 3.77 -0.02 0.00 -1.26 -5.11 105.19 103.84 2k5k n GLY 41 Ca 0.00 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 2k5k n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k5k s ARG 42 N -1.35 4.48 -1.47 1.61 0.52 -1.26 -3.43 118.95 118.05 2k5k s ARG 42 Ca 0.00 1.64 -0.07 0.00 -0.52 0.00 0.00 55.73 56.79 2k5k s ARG 42 Cb 0.00 -2.94 0.03 0.00 0.52 0.00 0.00 34.95 32.56 2k5k s ARG 42 CO 0.00 0.12 0.63 0.09 0.02 0.00 0.00 175.30 176.16 2k5k n ASN 43 N 0.72 -5.44 -3.78 0.23 3.02 -1.26 -4.97 115.26 103.78 2k5k n ASN 43 Ca 0.01 -0.35 -0.30 0.00 -0.03 0.00 0.00 54.58 53.91 2k5k n ASN 43 Cb 0.47 -4.40 0.23 0.00 -0.61 0.00 0.00 39.78 35.47 2k5k n ASN 43 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2k5k s GLY 44 N -2.77 1.71 -0.40 7.41 0.00 -1.22 -4.75 107.32 107.30 2k5k s GLY 44 Ca 0.36 -1.22 -0.06 0.00 0.00 0.00 0.00 44.72 43.80 2k5k s GLY 44 CO 0.45 -0.33 1.47 -1.05 0.00 0.00 0.00 173.10 173.64 2k5k n PRO 45 N -4.36 0.03 -0.11 2.90 -0.02 -1.26 -4.61 135.00 127.58 2k5k n PRO 45 Ca 0.16 -0.22 -0.16 0.00 -2.02 0.00 0.00 63.50 61.27 2k5k n PRO 45 Cb 0.59 -1.43 -0.13 0.00 -0.02 0.00 0.00 33.50 32.51 2k5k n PRO 45 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2k5k n GLU 46 N 5.32 0.67 0.10 -0.52 2.13 -1.26 -4.57 120.64 122.52 2k5k n GLU 46 Ca 0.24 0.11 -0.17 0.00 0.66 0.00 0.00 57.16 58.00 2k5k n GLU 46 Cb 0.40 -1.54 -0.14 0.00 0.27 0.00 0.00 31.44 30.43 2k5k n GLU 46 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2k5k h PRO 47 N 0.00 0.30 -4.03 5.31 0.13 -1.98 -3.49 132.00 128.24 2k5k h PRO 47 Ca -0.55 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.07 2k5k h PRO 47 Cb 2.01 0.19 0.00 0.00 0.13 0.00 0.00 31.00 33.33 2k5k h PRO 47 CO -0.04 1.23 -0.55 0.28 -0.23 0.00 0.00 178.00 178.69 2k5k n VAL 48 N -3.54 -1.12 0.73 1.56 0.31 -1.26 -4.77 118.33 110.24 2k5k n VAL 48 Ca -0.10 0.28 0.02 0.00 -0.01 0.00 0.00 64.34 64.53 2k5k n VAL 48 Cb 1.03 -1.69 0.10 0.00 -0.91 0.00 0.00 33.84 32.37 2k5k n VAL 48 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2k5k n ARG 49 N 0.97 1.87 -3.22 5.55 1.74 -1.26 -4.94 116.66 117.37 2k5k n ARG 49 Ca 0.00 -0.78 -0.14 0.00 -0.77 0.00 0.00 57.85 56.17 2k5k n ARG 49 Cb 0.28 -1.56 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 2k5k n ARG 49 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2k5k n PHE 50 N 0.13 -1.58 -1.95 -1.55 3.72 -1.26 -4.96 117.46 110.01 2k5k n PHE 50 Ca 0.07 0.67 -0.30 0.00 -0.05 0.00 0.00 57.45 57.84 2k5k n PHE 50 Cb 0.41 -1.80 0.19 0.00 -0.94 0.00 0.00 39.48 37.33 2k5k n PHE 50 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2k5k s GLY 51 N -1.33 1.79 -0.37 1.37 0.00 -1.26 -5.02 107.32 102.49 2k5k s GLY 51 Ca 0.14 -1.23 -0.20 0.00 0.00 0.00 0.00 44.72 43.43 2k5k s GLY 51 CO 0.43 -0.46 0.62 0.51 0.00 0.00 0.00 173.10 174.19 2k5k s ASP 52 N -4.90 6.38 -0.05 1.64 -4.77 -1.26 -5.04 116.67 108.67 2k5k s ASP 52 Ca 0.74 -0.01 0.00 0.00 -3.30 0.00 0.00 52.55 49.99 2k5k s ASP 52 Cb -0.04 -2.31 0.02 0.00 -1.09 0.00 0.00 42.92 39.50 2k5k s ASP 52 CO 0.53 -0.62 -0.02 0.86 0.70 0.00 0.00 175.17 176.62 2k5k s TRP 53 N 2.68 0.68 -0.44 2.11 -0.00 -1.26 -5.07 118.94 117.63 2k5k s TRP 53 Ca 0.23 -0.18 0.02 0.00 -0.00 0.00 0.00 56.10 56.17 2k5k s TRP 53 Cb -0.15 -0.69 0.22 0.00 -0.00 0.00 0.00 33.47 32.86 2k5k s TRP 53 CO 0.16 -0.24 0.93 -1.91 -0.00 0.00 0.00 176.95 175.89 2k5k n GLU 54 N 4.45 0.44 -3.08 5.86 2.13 -1.26 -5.05 120.64 124.12 2k5k n GLU 54 Ca -0.19 -1.48 -0.15 0.00 0.66 0.00 0.00 57.16 56.00 2k5k n GLU 54 Cb 0.50 -0.93 0.02 0.00 0.27 0.00 0.00 31.44 31.30 2k5k n GLU 54 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2k5k n LYS 55 N 2.32 -2.15 -2.56 5.31 4.81 -1.26 -4.93 118.16 119.70 2k5k n LYS 55 Ca 0.12 1.84 -0.37 0.00 -0.87 0.00 0.00 58.31 59.03 2k5k n LYS 55 Cb 0.62 -3.85 -0.04 0.00 0.02 0.00 0.00 35.03 31.77 2k5k n LYS 55 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2k5k s LYS 56 N -2.18 4.28 0.00 1.64 -0.14 -1.26 -4.85 119.74 117.23 2k5k s LYS 56 Ca 0.22 1.53 0.00 0.00 -1.36 0.00 0.00 55.97 56.36 2k5k s LYS 56 Cb -0.04 -2.66 0.00 0.00 -1.68 0.00 0.00 37.83 33.45 2k5k s LYS 56 CO 0.70 -0.04 0.00 0.41 -0.76 0.00 0.00 175.35 175.66 2k5k n GLY 57 N 0.48 -1.17 0.14 -3.33 0.00 -1.26 -4.97 105.19 95.07 2k5k n GLY 57 Ca 0.04 -1.04 0.01 0.00 0.00 0.00 0.00 46.02 45.03 2k5k n GLY 57 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2k5k h ILE 58 N 0.00 1.10 0.00 -0.61 2.10 -2.04 -3.19 117.51 114.87 2k5k h ILE 58 Ca 0.00 -2.26 0.00 0.00 1.08 0.00 0.00 64.86 63.68 2k5k h ILE 58 Cb 0.00 2.35 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 2k5k h ILE 58 CO 0.00 0.57 0.00 0.00 -1.08 0.00 0.00 178.15 177.64 2k5k n ALA 59 N -2.29 2.21 0.68 0.18 0.00 -1.26 -3.48 120.51 116.56 2k5k n ALA 59 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.58 2k5k n ALA 59 Cb 0.70 -1.00 0.41 0.00 0.00 0.00 0.00 19.45 19.56 2k5k n ALA 59 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2k5k n ILE 60 N 0.07 0.47 -0.26 0.00 -6.64 -1.21 -3.66 119.36 108.12 2k5k n ILE 60 Ca 0.00 -0.24 -0.05 0.00 -1.77 0.00 0.00 62.75 60.69 2k5k n ILE 60 Cb 0.19 -0.51 0.09 0.00 -1.44 0.00 0.00 39.64 37.97 2k5k n ILE 60 CO 0.00 0.00 0.00 -0.78 -1.77 0.00 0.00 176.55 174.00 2k5k h ASP 61 N 0.00 1.05 0.00 7.28 1.82 -1.86 -3.52 116.42 121.19 2k5k h ASP 61 Ca 0.00 -0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 2k5k h ASP 61 Cb 0.70 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.44 2k5k h ASP 61 CO 0.00 0.94 0.00 0.49 -1.61 0.00 0.00 179.24 179.06