#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dms s SER 2 N 0.00 -0.45 0.15 1.61 0.01 -1.26 -5.18 113.70 108.58 2dms s SER 2 Ca 0.00 0.64 -0.24 0.00 1.31 0.00 0.00 55.95 57.66 2dms s SER 2 Cb 0.00 0.67 0.07 0.00 0.21 0.00 0.00 66.02 66.97 2dms s SER 2 CO 0.00 -0.37 0.65 -0.44 0.41 0.00 0.00 173.24 173.48 2dms s SER 3 N -0.62 -0.52 0.00 2.44 0.01 -1.26 -5.19 113.70 108.57 2dms s SER 3 Ca -0.07 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2dms s SER 3 Cb -0.03 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.78 2dms s SER 3 CO 0.04 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.34 2dms n GLY 4 N -0.37 3.23 2.99 3.44 0.00 -1.26 -5.15 105.19 108.06 2dms n GLY 4 Ca -0.15 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 43.72 2dms n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dms s SER 5 N -0.60 0.29 -0.02 1.61 0.15 -1.26 -5.16 113.70 108.71 2dms s SER 5 Ca 0.00 -0.50 -0.05 0.00 0.70 0.00 0.00 55.95 56.09 2dms s SER 5 Cb 0.00 0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.36 2dms s SER 5 CO 0.00 -0.29 0.22 -0.44 1.20 0.00 0.00 173.24 173.92 2dms s SER 6 N -1.47 6.44 0.00 5.45 0.01 -1.26 -5.01 113.70 117.86 2dms s SER 6 Ca -0.16 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.58 2dms s SER 6 Cb -0.10 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2dms s SER 6 CO -0.01 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2dms n GLY 7 N 1.24 0.15 3.59 3.44 0.00 -1.26 -5.08 105.19 107.27 2dms n GLY 7 Ca -0.13 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2dms n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dms s ARG 8 N 0.00 3.77 -0.92 1.61 1.70 -1.26 -5.00 118.95 118.86 2dms s ARG 8 Ca 0.00 0.32 -0.20 0.00 -0.47 0.00 0.00 55.73 55.38 2dms s ARG 8 Cb 0.00 -3.80 0.11 0.00 -0.57 0.00 0.00 34.95 30.69 2dms s ARG 8 CO 0.00 -0.82 1.18 0.50 -1.08 0.00 0.00 175.30 175.08 2dms s ARG 9 N 3.05 3.54 0.43 3.89 6.06 -1.26 -4.86 118.95 129.79 2dms s ARG 9 Ca 0.31 -1.51 0.23 0.00 -2.50 0.00 0.00 55.73 52.26 2dms s ARG 9 Cb -0.13 -4.93 1.23 0.00 0.06 0.00 0.00 34.95 31.18 2dms s ARG 9 CO 0.16 -1.87 1.75 1.05 -2.50 0.00 0.00 175.30 173.89 2dms h GLU 10 N 9.13 0.27 -6.21 5.12 9.09 -2.07 -3.38 114.58 126.53 2dms h GLU 10 Ca 0.11 -0.02 -0.56 0.00 0.05 0.00 0.00 59.36 58.94 2dms h GLU 10 Cb 1.03 -0.06 -0.04 0.00 -1.65 0.00 0.00 28.75 28.03 2dms h GLU 10 CO 1.19 0.18 0.76 1.03 0.05 0.00 0.00 179.01 182.21 2dms s ARG 11 N -5.37 4.31 0.73 1.06 0.52 -1.26 -4.98 118.95 113.95 2dms s ARG 11 Ca -0.08 1.56 -0.17 0.00 -0.52 0.00 0.00 55.73 56.52 2dms s ARG 11 Cb 0.26 -3.63 -0.10 0.00 0.52 0.00 0.00 34.95 31.99 2dms s ARG 11 CO 0.80 -0.54 -0.06 0.25 0.02 0.00 0.00 175.30 175.78 2dms n THR 12 N 4.97 0.62 -4.04 0.02 -2.24 -1.26 -5.01 114.28 107.33 2dms n THR 12 Ca 0.12 -0.45 -0.08 0.00 -2.27 0.00 0.00 64.05 61.36 2dms n THR 12 Cb 0.46 -0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.31 2dms n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2dms s THR 13 N -1.98 0.17 -0.10 4.28 2.01 -1.26 -5.12 115.64 113.64 2dms s THR 13 Ca 0.55 -1.43 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 2dms s THR 13 Cb -0.35 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 2dms s THR 13 CO 0.68 -0.79 1.39 -0.36 -0.69 0.00 0.00 174.62 174.85 2dms s PHE 14 N -2.91 2.64 0.55 4.92 0.40 -1.26 -5.01 117.98 117.32 2dms s PHE 14 Ca -0.02 0.77 -0.14 0.00 -0.60 0.00 0.00 56.93 56.94 2dms s PHE 14 Cb 0.01 -3.64 -0.06 0.00 0.51 0.00 0.00 43.02 39.84 2dms s PHE 14 CO -0.06 -2.38 0.99 -0.08 0.70 0.00 0.00 175.22 174.39 2dms s THR 15 N 3.36 4.63 0.36 0.64 -1.32 -1.26 -4.74 115.64 117.31 2dms s THR 15 Ca 0.61 1.03 0.19 0.00 -1.21 0.00 0.00 61.69 62.31 2dms s THR 15 Cb -0.27 -3.79 0.35 0.00 -1.51 0.00 0.00 72.50 67.29 2dms s THR 15 CO 0.21 -0.88 1.62 0.03 -2.21 0.00 0.00 174.62 173.39 2dms h ARG 16 N 0.38 0.16 -0.07 7.08 2.47 -1.98 0.50 114.38 122.92 2dms h ARG 16 Ca -0.46 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.24 2dms h ARG 16 Cb 1.19 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.47 2dms h ARG 16 CO 0.62 0.10 -0.02 0.00 0.56 0.00 0.00 179.97 181.24 2dms h ALA 17 N 1.90 0.10 -0.13 0.04 0.00 -1.99 0.19 119.26 119.36 2dms h ALA 17 Ca 0.79 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.46 2dms h ALA 17 Cb 2.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 2dms h ALA 17 CO -0.66 -0.19 -0.11 1.96 0.00 0.00 0.00 179.25 180.24 2dms h GLN 18 N -0.20 0.20 0.17 0.00 4.20 -0.53 -2.70 115.11 116.24 2dms h GLN 18 Ca 0.02 -0.04 -0.30 0.00 0.06 0.00 0.00 58.65 58.38 2dms h GLN 18 Cb 0.41 -0.03 0.03 0.00 0.30 0.00 0.00 27.48 28.18 2dms h GLN 18 CO 0.01 0.33 -1.31 -0.07 -0.67 0.00 0.00 178.83 177.11 2dms h LEU 19 N 0.20 0.74 -0.56 1.46 3.38 -0.38 -2.41 115.31 117.74 2dms h LEU 19 Ca 0.04 -0.74 0.08 0.00 0.09 0.00 0.00 57.88 57.35 2dms h LEU 19 Cb 0.33 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 2dms h LEU 19 CO 0.02 1.57 0.21 0.44 0.09 0.00 0.00 178.44 180.76 2dms h ASP 20 N 0.18 0.22 0.23 -0.43 3.32 -0.30 -0.73 116.42 118.91 2dms h ASP 20 Ca -0.19 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2dms h ASP 20 Cb 2.00 0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.60 2dms h ASP 20 CO 0.24 0.14 -0.11 0.58 -1.72 0.00 0.00 179.24 178.37 2dms h VAL 21 N 0.40 0.00 -0.97 -1.35 2.07 -1.59 -2.54 116.25 112.26 2dms h VAL 21 Ca 0.27 -0.65 0.17 0.00 0.82 0.00 0.00 66.70 67.32 2dms h VAL 21 Cb 0.31 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.91 2dms h VAL 21 CO -0.27 0.00 -0.30 0.18 0.02 0.00 0.00 177.57 177.20 2dms n LEU 22 N -4.62 -0.48 0.01 2.57 4.77 -0.91 0.04 117.00 118.38 2dms n LEU 22 Ca -0.04 1.68 -0.12 0.00 -0.03 0.00 0.00 56.01 57.50 2dms n LEU 22 Cb 0.12 -0.45 -0.07 0.00 -2.33 0.00 0.00 43.42 40.69 2dms n LEU 22 CO 0.09 -1.56 0.84 -0.33 -1.33 0.00 0.00 177.39 175.09 2dms h GLU 23 N 0.00 0.08 -0.99 3.23 4.39 -1.25 -1.51 114.58 118.53 2dms h GLU 23 Ca 0.41 -0.01 0.22 0.00 0.34 0.00 0.00 59.36 60.32 2dms h GLU 23 Cb 0.65 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.20 2dms h GLU 23 CO -0.98 0.16 0.63 0.00 -1.16 0.00 0.00 179.01 177.66 2dms h ALA 24 N 0.91 2.05 0.00 3.43 0.00 0.07 0.56 119.26 126.28 2dms h ALA 24 Ca 0.02 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2dms h ALA 24 Cb 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2dms h ALA 24 CO -0.00 -0.41 -0.41 1.25 0.00 0.00 0.00 179.25 179.68 2dms h LEU 25 N 0.51 0.00 0.00 0.00 5.85 -0.63 -3.02 115.31 118.03 2dms h LEU 25 Ca 0.55 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.27 2dms h LEU 25 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2dms h LEU 25 CO -0.29 0.41 -0.41 0.15 -0.34 0.00 0.00 178.44 177.97 2dms h PHE 26 N 0.00 0.00 0.00 1.25 3.57 0.97 -2.38 116.94 120.35 2dms h PHE 26 Ca -0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2dms h PHE 26 Cb 1.26 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 2dms h PHE 26 CO 0.00 0.00 -0.87 0.00 -2.23 0.00 0.00 178.31 175.21 2dms h ALA 27 N 2.03 0.66 0.03 2.41 0.00 -0.51 -3.38 119.26 120.51 2dms h ALA 27 Ca 0.00 -0.33 -0.32 0.00 0.00 0.00 0.00 54.91 54.26 2dms h ALA 27 Cb 0.98 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2dms h ALA 27 CO 0.00 0.38 -1.75 0.36 0.00 0.00 0.00 179.25 178.24 2dms n LYS 28 N -2.91 0.63 -3.75 0.00 2.85 -1.15 -4.92 118.16 108.92 2dms n LYS 28 Ca -0.02 0.41 -0.22 0.00 -1.05 0.00 0.00 58.31 57.43 2dms n LYS 28 Cb 0.67 -1.68 -0.18 0.00 -0.65 0.00 0.00 35.03 33.19 2dms n LYS 28 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2dms s THR 29 N -2.45 0.26 0.30 0.58 -1.32 -0.90 -5.01 115.64 107.10 2dms s THR 29 Ca -0.29 0.19 0.14 0.00 -1.21 0.00 0.00 61.69 60.51 2dms s THR 29 Cb 0.08 -0.45 0.07 0.00 -1.51 0.00 0.00 72.50 70.69 2dms s THR 29 CO 0.62 0.23 1.75 0.03 -2.21 0.00 0.00 174.62 175.04 2dms h ARG 30 N 8.35 0.00 -2.82 7.08 2.47 -1.80 -3.36 114.38 124.30 2dms h ARG 30 Ca -0.18 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 57.93 2dms h ARG 30 Cb 1.12 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.04 2dms h ARG 30 CO 0.23 0.45 -0.72 0.71 0.56 0.00 0.00 179.97 181.20 2dms s TYR 31 N -3.89 2.61 0.54 3.04 2.02 -1.26 -5.03 117.35 115.38 2dms s TYR 31 Ca -0.02 -2.94 -0.20 0.00 -0.37 0.00 0.00 57.07 53.55 2dms s TYR 31 Cb 0.13 -2.03 -0.06 0.00 -0.40 0.00 0.00 41.96 39.60 2dms s TYR 31 CO 0.73 -0.66 1.13 -1.25 -1.57 0.00 0.00 175.55 173.93 2dms s PRO 32 N -0.83 3.39 0.91 -1.71 0.04 -1.26 -5.05 135.00 130.49 2dms s PRO 32 Ca 0.27 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.79 2dms s PRO 32 Cb -0.03 -2.03 0.17 0.00 0.04 0.00 0.00 34.50 32.65 2dms s PRO 32 CO -0.17 -0.82 1.26 0.34 0.04 0.00 0.00 177.00 177.65 2dms s ASP 33 N -1.75 3.52 0.25 6.66 2.15 -1.26 -4.80 116.67 121.44 2dms s ASP 33 Ca 0.72 0.33 -0.04 0.00 0.43 0.00 0.00 52.55 53.99 2dms s ASP 33 Cb -0.24 -0.50 0.40 0.00 -0.30 0.00 0.00 42.92 42.28 2dms s ASP 33 CO 0.27 -2.48 1.83 -0.29 -0.17 0.00 0.00 175.17 174.33 2dms h ILE 34 N -1.42 0.96 0.02 4.11 6.09 -1.99 -1.47 117.51 123.81 2dms h ILE 34 Ca -0.44 -0.31 0.02 0.00 -1.37 0.00 0.00 64.86 62.76 2dms h ILE 34 Cb 1.26 -0.01 -0.02 0.00 0.47 0.00 0.00 36.82 38.51 2dms h ILE 34 CO 0.44 0.16 -0.11 -0.26 -3.07 0.00 0.00 178.15 175.31 2dms h PHE 35 N 0.89 -0.28 0.02 2.19 0.04 -1.99 0.50 116.94 118.31 2dms h PHE 35 Ca 0.41 0.01 0.01 0.00 2.80 0.00 0.00 57.97 61.20 2dms h PHE 35 Cb 0.31 0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 2dms h PHE 35 CO -0.04 -0.17 -0.10 0.52 -0.60 0.00 0.00 178.31 177.92 2dms h MET 36 N -0.20 -0.17 -0.53 1.51 2.86 -1.79 -0.12 114.93 116.50 2dms h MET 36 Ca 0.03 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.75 2dms h MET 36 Cb 0.24 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.88 2dms h MET 36 CO -0.10 -0.11 0.22 0.00 1.06 0.00 0.00 176.91 177.98 2dms h ARG 37 N -0.17 0.40 -0.01 1.72 3.08 -1.08 -2.22 114.38 116.10 2dms h ARG 37 Ca 0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2dms h ARG 37 Cb 0.21 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2dms h ARG 37 CO -0.09 0.27 0.00 0.93 -1.07 0.00 0.00 179.97 180.01 2dms h GLU 38 N 0.42 0.01 -0.05 0.04 5.08 -0.55 -1.27 114.58 118.26 2dms h GLU 38 Ca 0.25 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 2dms h GLU 38 Cb 0.24 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2dms h GLU 38 CO -0.23 0.03 -0.34 1.49 -1.00 0.00 0.00 179.01 178.97 2dms h GLU 39 N -0.02 -0.37 0.21 2.33 4.57 -0.58 0.77 114.58 121.50 2dms h GLU 39 Ca 0.00 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2dms h GLU 39 Cb 0.03 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 2dms h GLU 39 CO -0.00 -0.25 -0.52 0.28 -1.18 0.00 0.00 179.01 177.34 2dms h VAL 40 N -0.39 0.00 -0.58 0.32 2.07 -1.41 0.61 116.25 116.88 2dms h VAL 40 Ca 0.01 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.70 2dms h VAL 40 Cb 0.43 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2dms h VAL 40 CO -0.25 0.00 0.72 0.00 0.02 0.00 0.00 177.57 178.06 2dms h ALA 41 N -0.65 2.34 0.00 1.67 0.00 -1.04 1.09 119.26 122.66 2dms h ALA 41 Ca -0.02 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2dms h ALA 41 Cb 0.78 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2dms h ALA 41 CO -0.23 -1.02 -1.68 1.28 0.00 0.00 0.00 179.25 177.61 2dms n LEU 42 N -3.44 0.53 -0.06 0.00 4.77 0.25 -0.48 117.00 118.57 2dms n LEU 42 Ca 0.12 0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 56.29 2dms n LEU 42 Cb 0.92 0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 42.12 2dms n LEU 42 CO 0.24 0.16 -0.12 0.50 -1.33 0.00 0.00 177.39 176.83 2dms h LYS 43 N 0.00 0.00 0.00 3.23 3.64 0.64 -3.33 116.57 120.75 2dms h LYS 43 Ca -0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2dms h LYS 43 Cb 1.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 2dms h LYS 43 CO 0.03 0.12 0.00 0.44 -2.27 0.00 0.00 179.45 177.77 2dms n ILE 44 N -4.69 0.19 -3.16 2.00 -5.35 0.12 -4.85 119.36 103.62 2dms n ILE 44 Ca -0.05 0.05 -0.14 0.00 -0.27 0.00 0.00 62.75 62.34 2dms n ILE 44 Cb 0.16 -0.83 0.07 0.00 -1.74 0.00 0.00 39.64 37.30 2dms n ILE 44 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2dms n ASN 45 N -1.08 -3.93 -4.10 7.28 3.02 -1.23 -4.84 115.26 110.36 2dms n ASN 45 Ca 0.09 -0.58 -0.10 0.00 -0.03 0.00 0.00 54.58 53.96 2dms n ASN 45 Cb 0.06 -4.61 -0.10 0.00 -0.61 0.00 0.00 39.78 34.52 2dms n ASN 45 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dms s LEU 46 N -5.50 2.41 0.01 3.41 1.43 0.37 -5.02 118.68 115.79 2dms s LEU 46 Ca 0.19 -0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 52.16 2dms s LEU 46 Cb -0.02 -0.02 -0.06 0.00 0.03 0.00 0.00 46.19 46.11 2dms s LEU 46 CO 0.65 -0.40 1.44 -2.16 0.23 0.00 0.00 176.35 176.10 2dms s PRO 47 N -2.98 4.27 0.50 1.29 0.04 -1.26 -4.24 135.00 132.62 2dms s PRO 47 Ca 0.02 2.02 0.39 0.00 0.04 0.00 0.00 61.00 63.47 2dms s PRO 47 Cb -0.00 -3.58 1.33 0.00 0.04 0.00 0.00 34.50 32.29 2dms s PRO 47 CO -0.04 -0.60 1.30 -1.91 0.04 0.00 0.00 177.00 175.79 2dms n GLU 48 N 5.41 0.00 -0.06 4.56 2.13 -1.26 0.19 120.64 131.62 2dms n GLU 48 Ca 0.14 0.93 -0.12 0.00 0.66 0.00 0.00 57.16 58.77 2dms n GLU 48 Cb 0.43 -2.20 -0.06 0.00 0.27 0.00 0.00 31.44 29.88 2dms n GLU 48 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2dms h SER 49 N 0.00 0.31 0.13 4.31 0.87 -1.97 -1.81 113.55 115.39 2dms h SER 49 Ca 0.72 -0.36 -0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2dms h SER 49 Cb 3.12 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 64.99 2dms h SER 49 CO -0.01 0.59 -0.02 0.03 -0.53 0.00 0.00 176.83 176.90 2dms h ARG 50 N 0.02 0.00 0.00 2.24 2.47 0.18 -1.34 114.38 117.95 2dms h ARG 50 Ca 0.04 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 2dms h ARG 50 Cb 0.45 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.77 2dms h ARG 50 CO 0.01 0.02 -0.12 0.28 0.56 0.00 0.00 179.97 180.72 2dms h VAL 51 N 0.00 0.94 -1.00 2.04 2.07 -1.27 -2.28 116.25 116.75 2dms h VAL 51 Ca -0.00 -1.74 0.07 0.00 0.82 0.00 0.00 66.70 65.85 2dms h VAL 51 Cb 0.08 1.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 2dms h VAL 51 CO 0.00 0.32 0.64 -0.61 0.02 0.00 0.00 177.57 177.94 2dms h GLN 52 N -1.00 1.13 0.18 1.57 4.15 -1.12 -2.88 115.11 117.14 2dms h GLN 52 Ca -0.03 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 2dms h GLN 52 Cb 0.61 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.05 2dms h GLN 52 CO -0.02 0.75 -0.08 0.28 -1.93 0.00 0.00 178.83 177.82 2dms h VAL 53 N 1.16 0.90 -0.76 2.39 2.07 -1.39 -3.07 116.25 117.55 2dms h VAL 53 Ca 0.43 -1.00 0.22 0.00 0.82 0.00 0.00 66.70 67.18 2dms h VAL 53 Cb 0.18 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 2dms h VAL 53 CO -0.18 0.21 1.08 -0.25 0.02 0.00 0.00 177.57 178.45 2dms h TRP 54 N -0.77 0.00 0.02 1.57 7.01 -1.20 0.76 115.95 123.34 2dms h TRP 54 Ca -0.02 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.95 2dms h TRP 54 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 2dms h TRP 54 CO 0.07 0.00 -0.12 0.74 -2.79 0.00 0.00 178.44 176.34 2dms h PHE 55 N 0.00 0.08 0.00 2.65 -1.00 -1.43 -2.69 116.94 114.56 2dms h PHE 55 Ca 0.36 -0.06 -0.00 0.00 2.81 0.00 0.00 57.97 61.08 2dms h PHE 55 Cb 2.52 -0.00 -0.00 0.00 3.61 0.00 0.00 35.95 42.07 2dms h PHE 55 CO 0.00 1.02 -0.01 1.57 -1.61 0.00 0.00 178.31 179.28 2dms h LYS 56 N -0.88 0.00 0.00 1.51 2.10 0.50 -1.14 116.57 118.67 2dms h LYS 56 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2dms h LYS 56 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2dms h LYS 56 CO 0.02 0.01 -0.09 -0.91 -2.00 0.00 0.00 179.45 176.48 2dms h ASN 57 N 0.00 0.00 -0.02 7.07 4.21 -1.36 -3.24 115.58 122.25 2dms h ASN 57 Ca -0.00 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.54 2dms h ASN 57 Cb 0.08 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.23 2dms h ASN 57 CO 0.00 0.49 -0.28 -0.09 -1.29 0.00 0.00 177.43 176.26 2dms h ARG 58 N -0.88 -0.40 -0.80 0.81 9.65 -1.38 -2.05 114.38 119.34 2dms h ARG 58 Ca 0.00 0.03 0.19 0.00 -1.10 0.00 0.00 59.98 59.10 2dms h ARG 58 Cb 0.09 0.09 -0.14 0.00 -1.39 0.00 0.00 29.97 28.62 2dms h ARG 58 CO 0.00 -0.27 0.05 -0.09 2.80 0.00 0.00 179.97 182.47 2dms h ARG 59 N -0.41 0.12 -0.83 0.20 2.43 -1.40 0.24 114.38 114.72 2dms h ARG 59 Ca 0.07 -0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.41 2dms h ARG 59 Cb 0.51 -0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 29.92 2dms h ARG 59 CO -0.25 0.08 0.34 0.00 -1.51 0.00 0.00 179.97 178.63 2dms h ALA 60 N 1.74 1.25 -1.00 2.80 0.00 -1.39 0.13 119.26 122.79 2dms h ALA 60 Ca 0.45 0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.64 2dms h ALA 60 Cb 0.83 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 2dms h ALA 60 CO -0.68 -0.27 0.62 -0.22 0.00 0.00 0.00 179.25 178.71 2dms h LYS 61 N 0.43 0.89 -0.33 0.00 1.63 -0.42 -1.78 116.57 116.99 2dms h LYS 61 Ca 0.49 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 60.30 2dms h LYS 61 Cb 0.84 -0.20 -0.07 0.00 -0.60 0.00 0.00 32.23 32.20 2dms h LYS 61 CO -0.47 0.59 -0.12 0.00 -3.45 0.00 0.00 179.45 176.00 2dms h ARG 63 N -0.05 -0.17 -0.15 0.00 3.08 -1.31 -0.94 114.38 114.84 2dms h ARG 63 Ca 0.16 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.27 2dms h ARG 63 Cb 0.30 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 2dms h ARG 63 CO -0.37 -0.12 -0.18 0.37 -1.07 0.00 0.00 179.97 178.61 2dms h GLN 64 N -0.18 -0.21 -3.57 0.04 4.15 -1.44 -3.46 115.11 110.42 2dms h GLN 64 Ca 0.22 0.01 -0.20 0.00 0.77 0.00 0.00 58.65 59.45 2dms h GLN 64 Cb 0.56 0.05 0.08 0.00 0.21 0.00 0.00 27.48 28.37 2dms h GLN 64 CO -0.69 -0.14 -0.36 0.94 -1.93 0.00 0.00 178.83 176.65 2dms n GLN 65 N -5.33 -4.05 -4.30 1.69 0.00 -0.36 -5.03 117.38 100.01 2dms n GLN 65 Ca -0.02 0.43 -0.35 0.00 -0.00 0.00 0.00 57.00 57.06 2dms n GLN 65 Cb 0.24 -4.26 -0.09 0.00 0.00 0.00 0.00 30.24 26.13 2dms n GLN 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2dms s GLN 66 N -5.54 3.17 -1.79 3.69 0.74 -1.26 -4.54 119.66 114.13 2dms s GLN 66 Ca 0.26 -0.38 -0.20 0.00 0.05 0.00 0.00 55.36 55.08 2dms s GLN 66 Cb -0.11 -2.88 0.20 0.00 1.10 0.00 0.00 33.01 31.32 2dms s GLN 66 CO 0.38 0.63 0.50 0.00 -0.55 0.00 0.00 175.29 176.26 2dms n GLN 67 N 2.37 -0.75 -4.58 1.67 10.64 -1.26 -4.90 117.38 120.57 2dms n GLN 67 Ca -0.18 0.13 -0.28 0.00 -1.83 0.00 0.00 57.00 54.83 2dms n GLN 67 Cb 0.54 -4.44 -0.17 0.00 -0.86 0.00 0.00 30.24 25.31 2dms n GLN 67 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2dms s GLN 68 N -7.11 2.23 -0.68 2.61 -0.44 -1.26 -5.05 119.66 109.94 2dms s GLN 68 Ca 0.70 -0.57 -0.36 0.00 -2.50 0.00 0.00 55.36 52.63 2dms s GLN 68 Cb -0.41 -1.85 -0.19 0.00 -1.64 0.00 0.00 33.01 28.91 2dms s GLN 68 CO 1.00 -0.02 2.27 1.04 0.50 0.00 0.00 175.29 180.09 2dms n GLN 69 N 4.04 0.00 -3.38 1.67 3.00 -1.26 -4.87 117.38 116.58 2dms n GLN 69 Ca -0.20 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.46 2dms n GLN 69 Cb 0.52 -1.43 -0.06 0.00 0.00 0.00 0.00 30.24 29.27 2dms n GLN 69 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 2dms s GLN 70 N 6.96 3.90 0.34 -1.09 -2.07 -1.26 -5.07 119.66 121.36 2dms s GLN 70 Ca 1.21 0.40 -0.19 0.00 -1.82 0.00 0.00 55.36 54.96 2dms s GLN 70 Cb -1.33 -2.77 -0.10 0.00 -1.09 0.00 0.00 33.01 27.72 2dms s GLN 70 CO 0.56 0.39 0.82 0.54 -1.32 0.00 0.00 175.29 176.27 2dms s ASN 71 N -2.04 6.93 0.46 12.60 4.22 -1.26 -5.08 114.94 130.76 2dms s ASN 71 Ca 0.43 1.48 0.06 0.00 -2.14 0.00 0.00 52.86 52.68 2dms s ASN 71 Cb -0.13 -2.45 -0.03 0.00 1.28 0.00 0.00 41.25 39.92 2dms s ASN 71 CO 0.20 -0.20 0.17 -0.83 -2.04 0.00 0.00 177.10 174.41 2dms s GLY 72 N -2.07 2.50 0.00 0.45 0.00 -1.26 -5.01 107.32 101.93 2dms s GLY 72 Ca 0.54 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.64 2dms s GLY 72 CO 0.17 -2.00 0.00 0.61 0.00 0.00 0.00 173.10 171.89 2dms n GLY 73 N -1.32 0.46 3.62 0.20 0.00 -1.26 -5.00 105.19 101.90 2dms n GLY 73 Ca -0.05 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 2dms n GLY 73 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dms s GLN 74 N 0.00 2.28 0.05 1.61 -2.07 -1.26 -5.14 119.66 115.13 2dms s GLN 74 Ca 0.00 -1.03 -0.03 0.00 -1.82 0.00 0.00 55.36 52.49 2dms s GLN 74 Cb 0.00 -2.35 -0.03 0.00 -1.09 0.00 0.00 33.01 29.54 2dms s GLN 74 CO 0.00 0.49 0.02 0.45 -1.32 0.00 0.00 175.29 174.94 2dms s SER 75 N -2.47 0.34 0.53 12.60 0.15 -1.26 -5.14 113.70 118.45 2dms s SER 75 Ca 0.24 -0.78 -0.22 0.00 0.70 0.00 0.00 55.95 55.90 2dms s SER 75 Cb -0.11 0.21 -0.06 0.00 -1.71 0.00 0.00 66.02 64.35 2dms s SER 75 CO 0.16 -0.55 1.22 0.61 1.20 0.00 0.00 173.24 175.89 2dms n GLY 76 N 0.48 0.40 3.59 9.45 0.00 -1.26 -4.99 105.19 112.85 2dms n GLY 76 Ca -0.17 0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 2dms n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dms s PRO 77 N -2.68 -1.21 0.07 1.61 0.04 -1.26 -5.07 135.00 126.50 2dms s PRO 77 Ca 0.70 -0.07 0.07 0.00 0.04 0.00 0.00 61.00 61.75 2dms s PRO 77 Cb -0.44 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2dms s PRO 77 CO 0.51 -3.71 -0.14 0.45 0.04 0.00 0.00 177.00 174.15 2dms s SER 78 N -3.89 4.10 -0.18 6.66 0.15 -1.26 -5.05 113.70 114.22 2dms s SER 78 Ca 0.71 -0.41 -0.20 0.00 0.70 0.00 0.00 55.95 56.75 2dms s SER 78 Cb -0.10 -0.72 -0.17 0.00 -1.71 0.00 0.00 66.02 63.32 2dms s SER 78 CO 0.56 0.22 0.24 0.77 1.20 0.00 0.00 173.24 176.22 2dms h SER 79 N 4.06 0.00 0.00 5.45 4.64 -2.07 -3.57 113.55 122.06 2dms h SER 79 Ca -0.49 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.35 2dms h SER 79 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2dms h SER 79 CO 0.49 1.25 0.00 0.61 -0.87 0.00 0.00 176.83 178.31