#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 0.47 -0.28 1.61 0.01 -1.26 -5.15 113.70 109.10 2dms s SER 2 Ca 0.00 -0.23 -0.15 0.00 1.31 0.00 0.00 55.95 56.88 2dms s SER 2 Cb 0.00 -0.00 0.09 0.00 0.21 0.00 0.00 66.02 66.32 2dms s SER 2 CO 0.00 -0.07 0.70 -0.44 0.41 0.00 0.00 173.24 173.85 2dms s SER 3 N -0.62 -0.96 0.00 2.44 0.01 -1.26 -5.05 113.70 108.26 2dms s SER 3 Ca -0.04 1.49 0.00 0.00 1.31 0.00 0.00 55.95 58.71 2dms s SER 3 Cb -0.05 1.57 0.00 0.00 0.21 0.00 0.00 66.02 67.75 2dms s SER 3 CO -0.00 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2dms n GLY 4 N 4.52 0.00 2.97 3.44 0.00 -1.26 -5.15 105.19 109.71 2dms n GLY 4 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2dms n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dms s SER 5 N 0.00 2.62 0.80 1.61 1.04 -1.26 -5.13 113.70 113.39 2dms s SER 5 Ca 0.00 -0.49 -0.12 0.00 0.48 0.00 0.00 55.95 55.82 2dms s SER 5 Cb 0.00 -1.05 0.08 0.00 0.10 0.00 0.00 66.02 65.15 2dms s SER 5 CO 0.00 -0.10 1.13 -0.94 0.98 0.00 0.00 173.24 174.31 2dms s SER 6 N 1.56 3.96 0.00 7.02 1.04 -1.26 -5.04 113.70 120.98 2dms s SER 6 Ca 0.04 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.53 2dms s SER 6 Cb -0.13 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2dms s SER 6 CO -0.09 -2.41 0.00 0.61 0.98 0.00 0.00 173.24 172.33 2dms n GLY 7 N -0.37 1.55 3.41 7.32 0.00 -1.26 -4.77 105.19 111.07 2dms n GLY 7 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 2dms n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dms n ARG 8 N 0.00 -2.59 -3.59 1.61 3.00 -1.26 -3.81 116.66 110.01 2dms n ARG 8 Ca 0.00 -1.73 -0.29 0.00 -0.01 0.00 0.00 57.85 55.82 2dms n ARG 8 Cb 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 32.46 30.92 2dms n ARG 8 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2dms n ARG 9 N -4.43 -1.01 -1.24 5.56 1.85 -1.26 -4.64 116.66 111.49 2dms n ARG 9 Ca 0.15 0.09 -0.49 0.00 -1.00 0.00 0.00 57.85 56.60 2dms n ARG 9 Cb 0.56 -3.59 -0.07 0.00 -1.05 0.00 0.00 32.46 28.30 2dms n ARG 9 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2dms n GLU 10 N -3.05 0.00 -1.19 2.89 1.02 -1.25 -4.88 120.64 114.18 2dms n GLU 10 Ca 0.08 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.92 2dms n GLU 10 Cb 0.35 -1.22 0.14 0.00 -0.02 0.00 0.00 31.44 30.69 2dms n GLU 10 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2dms s ARG 11 N 0.22 1.23 0.22 3.49 0.52 -1.26 -5.02 118.95 118.34 2dms s ARG 11 Ca 0.75 0.83 -0.16 0.00 -0.52 0.00 0.00 55.73 56.63 2dms s ARG 11 Cb -1.05 -1.81 -0.08 0.00 0.52 0.00 0.00 34.95 32.54 2dms s ARG 11 CO 0.48 -2.26 0.65 -0.08 0.02 0.00 0.00 175.30 174.11 2dms s THR 12 N -2.93 4.73 0.00 0.02 -1.32 -1.26 -4.97 115.64 109.91 2dms s THR 12 Ca 0.63 0.97 0.00 0.00 -1.21 0.00 0.00 61.69 62.09 2dms s THR 12 Cb -0.18 -3.74 0.00 0.00 -1.51 0.00 0.00 72.50 67.07 2dms s THR 12 CO 0.57 0.11 0.00 0.35 -2.21 0.00 0.00 174.62 173.44 2dms n THR 13 N 0.44 0.00 -3.80 5.08 -2.24 -1.26 -5.06 114.28 107.44 2dms n THR 13 Ca -0.02 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.40 2dms n THR 13 Cb 0.52 -0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 68.27 2dms n THR 13 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2dms s PHE 14 N -1.61 3.47 0.48 4.78 0.40 -1.26 -5.10 117.98 119.14 2dms s PHE 14 Ca 0.00 0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.73 2dms s PHE 14 Cb 0.00 -2.08 0.01 0.00 0.51 0.00 0.00 43.02 41.46 2dms s PHE 14 CO 0.00 0.44 0.70 -0.08 0.70 0.00 0.00 175.22 176.99 2dms s THR 15 N -0.13 3.61 0.30 0.64 -1.32 -1.26 -4.89 115.64 112.58 2dms s THR 15 Ca 0.10 -0.54 0.05 0.00 -1.21 0.00 0.00 61.69 60.09 2dms s THR 15 Cb -0.11 -3.34 0.29 0.00 -1.51 0.00 0.00 72.50 67.83 2dms s THR 15 CO 0.00 -0.24 1.79 0.03 -2.21 0.00 0.00 174.62 173.99 2dms h ARG 16 N 0.30 0.78 0.16 7.08 2.47 -1.99 0.90 114.38 124.08 2dms h ARG 16 Ca -0.45 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.22 2dms h ARG 16 Cb 1.27 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 2dms h ARG 16 CO 0.56 0.52 -0.08 0.00 0.56 0.00 0.00 179.97 181.53 2dms h ALA 17 N 1.62 -0.21 -0.55 0.04 0.00 -1.99 0.83 119.26 118.99 2dms h ALA 17 Ca 0.56 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.36 2dms h ALA 17 Cb 0.80 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2dms h ALA 17 CO -0.36 -0.45 0.37 1.96 0.00 0.00 0.00 179.25 180.77 2dms h GLN 18 N -0.56 0.46 0.01 0.00 4.20 -1.68 -2.17 115.11 115.36 2dms h GLN 18 Ca -0.02 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.48 2dms h GLN 18 Cb 0.43 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.12 2dms h GLN 18 CO 0.04 0.31 -0.71 -0.07 -0.67 0.00 0.00 178.83 177.73 2dms h LEU 19 N 0.48 0.61 -1.26 1.46 3.38 -0.75 -2.54 115.31 116.69 2dms h LEU 19 Ca 0.24 -0.77 0.30 0.00 0.09 0.00 0.00 57.88 57.74 2dms h LEU 19 Cb 0.34 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 40.79 2dms h LEU 19 CO -0.07 1.30 0.67 0.44 0.09 0.00 0.00 178.44 180.87 2dms h ASP 20 N -0.02 0.46 0.00 -0.43 5.19 -0.17 0.73 116.42 122.18 2dms h ASP 20 Ca -0.09 0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 2dms h ASP 20 Cb 1.41 0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.97 2dms h ASP 20 CO 0.14 0.02 -0.15 0.58 -3.12 0.00 0.00 179.24 176.71 2dms h VAL 21 N 0.37 0.59 -0.75 -1.35 2.07 -1.55 -2.85 116.25 112.77 2dms h VAL 21 Ca 0.66 -1.48 0.14 0.00 0.82 0.00 0.00 66.70 66.84 2dms h VAL 21 Cb 1.65 1.15 -0.14 0.00 -1.52 0.00 0.00 31.29 32.43 2dms h VAL 21 CO -0.39 0.20 -0.25 -0.07 0.02 0.00 0.00 177.57 177.08 2dms h LEU 22 N -1.00 -0.90 -0.25 2.57 3.38 -0.95 0.53 115.31 118.69 2dms h LEU 22 Ca -0.02 0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2dms h LEU 22 Cb 0.44 0.53 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2dms h LEU 22 CO -0.01 -0.27 0.07 -0.33 0.09 0.00 0.00 178.44 177.98 2dms h GLU 23 N -0.04 0.39 -0.78 1.13 5.08 -1.04 -1.96 114.58 117.36 2dms h GLU 23 Ca 0.34 -0.09 0.18 0.00 -1.00 0.00 0.00 59.36 58.79 2dms h GLU 23 Cb 0.57 -0.05 -0.13 0.00 0.50 0.00 0.00 28.75 29.64 2dms h GLU 23 CO -0.79 0.48 0.11 0.00 -1.00 0.00 0.00 179.01 177.80 2dms h ALA 24 N 0.89 0.95 -0.02 3.43 0.00 -0.69 0.55 119.26 124.36 2dms h ALA 24 Ca 0.08 0.22 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 2dms h ALA 24 Cb 0.26 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2dms h ALA 24 CO -0.00 -0.41 -0.64 1.25 0.00 0.00 0.00 179.25 179.45 2dms h LEU 25 N 0.17 0.11 -0.75 0.00 5.85 -1.10 -3.03 115.31 116.56 2dms h LEU 25 Ca 0.45 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.97 2dms h LEU 25 Cb 0.82 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2dms h LEU 25 CO -0.62 0.72 -0.60 0.15 -0.34 0.00 0.00 178.44 177.75 2dms h PHE 26 N 0.07 0.12 -0.02 1.25 3.57 0.46 0.27 116.94 122.64 2dms h PHE 26 Ca -0.01 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.32 2dms h PHE 26 Cb 1.14 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 2dms h PHE 26 CO 0.01 0.66 -0.57 0.00 -2.23 0.00 0.00 178.31 176.18 2dms h ALA 27 N 1.33 1.00 0.11 2.41 0.00 -0.02 -3.27 119.26 120.82 2dms h ALA 27 Ca -0.01 -0.52 -0.36 0.00 0.00 0.00 0.00 54.91 54.02 2dms h ALA 27 Cb 1.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2dms h ALA 27 CO 0.08 0.71 -2.00 0.36 0.00 0.00 0.00 179.25 178.41 2dms n LYS 28 N -3.87 0.75 -3.58 0.00 2.85 -1.14 -4.92 118.16 108.25 2dms n LYS 28 Ca -0.02 0.27 -0.08 0.00 -1.05 0.00 0.00 58.31 57.43 2dms n LYS 28 Cb 0.58 -1.70 -0.09 0.00 -0.65 0.00 0.00 35.03 33.18 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 -2.55 -0.66 0.09 0.58 -1.32 0.93 -5.02 115.64 107.71 2dms s THR 29 Ca -0.23 0.11 0.25 0.00 -1.21 0.00 0.00 61.69 60.61 2dms s THR 29 Cb 0.07 -0.71 0.25 0.00 -1.51 0.00 0.00 72.50 70.59 2dms s THR 29 CO 0.75 0.03 1.82 0.08 -2.21 0.00 0.00 174.62 175.09 2dms h ARG 30 N 8.17 0.00 -3.05 7.08 0.11 -1.74 -3.33 114.38 121.62 2dms h ARG 30 Ca -0.17 0.00 -0.62 0.00 0.10 0.00 0.00 59.98 59.29 2dms h ARG 30 Cb 1.12 0.00 -0.42 0.00 1.11 0.00 0.00 29.97 31.78 2dms h ARG 30 CO 0.15 0.20 -0.60 0.71 0.10 0.00 0.00 179.97 180.54 2dms s TYR 31 N -3.60 3.40 1.00 4.08 1.51 -1.26 -4.98 117.35 117.49 2dms s TYR 31 Ca 0.01 -3.27 -0.12 0.00 -1.01 0.00 0.00 57.07 52.68 2dms s TYR 31 Cb 0.10 -2.59 0.19 0.00 -0.11 0.00 0.00 41.96 39.54 2dms s TYR 31 CO 0.63 -0.57 1.09 -1.25 -1.11 0.00 0.00 175.55 174.35 2dms s PRO 32 N -1.33 0.43 0.44 -1.71 0.04 -1.26 -5.07 135.00 126.55 2dms s PRO 32 Ca 0.25 0.53 0.08 0.00 0.04 0.00 0.00 61.00 61.90 2dms s PRO 32 Cb -0.05 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.77 2dms s PRO 32 CO -0.16 -2.73 0.53 -0.51 0.04 0.00 0.00 177.00 174.16 2dms s ASP 33 N -3.45 5.35 0.38 6.66 1.01 -1.26 -4.89 116.67 120.48 2dms s ASP 33 Ca 0.65 -0.61 0.13 0.00 0.71 0.00 0.00 52.55 53.43 2dms s ASP 33 Cb -0.19 -0.47 0.95 0.00 1.01 0.00 0.00 42.92 44.22 2dms s ASP 33 CO 0.58 -0.81 1.85 -0.29 0.21 0.00 0.00 175.17 176.70 2dms h ILE 34 N 0.71 0.73 -0.23 0.77 6.09 -1.98 0.32 117.51 123.92 2dms h ILE 34 Ca -0.39 -0.19 -0.03 0.00 -1.37 0.00 0.00 64.86 62.88 2dms h ILE 34 Cb 1.28 0.13 -0.01 0.00 0.47 0.00 0.00 36.82 38.69 2dms h ILE 34 CO 0.49 0.10 0.01 -0.26 -3.07 0.00 0.00 178.15 175.42 2dms h PHE 35 N 0.55 0.42 0.38 2.19 0.04 -1.99 -1.27 116.94 117.26 2dms h PHE 35 Ca 0.48 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 61.17 2dms h PHE 35 Cb 1.00 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.04 2dms h PHE 35 CO -0.00 0.55 -0.18 0.52 -0.60 0.00 0.00 178.31 178.60 2dms h MET 36 N 0.17 -0.49 -0.81 1.51 2.86 -1.54 -2.15 114.93 114.48 2dms h MET 36 Ca 0.07 0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.86 2dms h MET 36 Cb 0.37 0.11 -0.09 0.00 0.06 0.00 0.00 31.60 32.06 2dms h MET 36 CO 0.01 -0.21 0.41 0.00 1.06 0.00 0.00 176.91 178.18 2dms h ARG 37 N -0.72 0.61 0.07 1.72 3.08 -1.04 -1.87 114.38 116.23 2dms h ARG 37 Ca -0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2dms h ARG 37 Cb 0.50 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2dms h ARG 37 CO 0.09 0.40 -0.08 0.93 -1.07 0.00 0.00 179.97 180.24 2dms h GLU 38 N 0.63 -0.16 0.14 0.04 5.08 -1.14 -0.82 114.58 118.35 2dms h GLU 38 Ca 0.42 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.80 2dms h GLU 38 Cb 0.54 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2dms h GLU 38 CO -0.33 -0.11 -0.40 1.49 -1.00 0.00 0.00 179.01 178.66 2dms h GLU 39 N -0.17 -0.59 0.05 2.33 4.57 -0.67 -0.98 114.58 119.12 2dms h GLU 39 Ca 0.01 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2dms h GLU 39 Cb 0.17 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.84 2dms h GLU 39 CO -0.03 -0.39 -0.50 0.28 -1.18 0.00 0.00 179.01 177.19 2dms h VAL 40 N -0.61 0.00 -0.89 0.32 2.07 -1.38 0.61 116.25 116.37 2dms h VAL 40 Ca -0.01 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.77 2dms h VAL 40 Cb 0.60 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 2dms h VAL 40 CO -0.19 0.00 0.87 0.00 0.02 0.00 0.00 177.57 178.26 2dms h ALA 41 N -0.55 2.74 0.00 1.67 0.00 -1.02 1.33 119.26 123.42 2dms h ALA 41 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2dms h ALA 41 Cb 0.69 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2dms h ALA 41 CO -0.31 -1.33 -1.59 1.28 0.00 0.00 0.00 179.25 177.31 2dms n LEU 42 N -3.65 0.62 -0.06 0.00 4.77 0.32 -0.47 117.00 118.53 2dms n LEU 42 Ca 0.19 0.27 -0.04 0.00 -0.03 0.00 0.00 56.01 56.40 2dms n LEU 42 Cb 1.16 0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 42.33 2dms n LEU 42 CO 0.30 0.13 -0.08 0.50 -1.33 0.00 0.00 177.39 176.91 2dms h LYS 43 N 0.00 0.00 0.00 3.23 3.64 0.69 -3.32 116.57 120.80 2dms h LYS 43 Ca -0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2dms h LYS 43 Cb 1.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 2dms h LYS 43 CO 0.03 0.16 0.00 0.44 -2.27 0.00 0.00 179.45 177.81 2dms n ILE 44 N -4.70 0.17 -3.22 2.00 -5.35 0.13 -4.85 119.36 103.54 2dms n ILE 44 Ca -0.05 0.04 -0.15 0.00 -0.27 0.00 0.00 62.75 62.33 2dms n ILE 44 Cb 0.16 -0.82 0.08 0.00 -1.74 0.00 0.00 39.64 37.31 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 -3.33 -4.11 7.28 3.02 -1.23 -4.82 115.26 110.99 2dms n ASN 45 Ca 0.09 -0.58 -0.11 0.00 -0.03 0.00 0.00 54.58 53.95 2dms n ASN 45 Cb 0.06 -4.68 -0.11 0.00 -0.61 0.00 0.00 39.78 34.45 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 -5.67 2.39 -0.01 3.41 1.43 0.38 -5.02 118.68 115.59 2dms s LEU 46 Ca 0.13 -0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 52.14 2dms s LEU 46 Cb -0.02 -0.10 -0.06 0.00 0.03 0.00 0.00 46.19 46.05 2dms s LEU 46 CO 0.66 -0.35 1.46 -2.16 0.23 0.00 0.00 176.35 176.18 2dms s PRO 47 N -2.76 4.25 0.56 1.29 0.04 -1.26 -4.24 135.00 132.88 2dms s PRO 47 Ca 0.01 2.02 0.36 0.00 0.04 0.00 0.00 61.00 63.43 2dms s PRO 47 Cb -0.02 -3.65 1.23 0.00 0.04 0.00 0.00 34.50 32.11 2dms s PRO 47 CO -0.03 -0.64 1.36 -1.91 0.04 0.00 0.00 177.00 175.82 2dms n GLU 48 N 5.74 0.01 -0.09 4.56 2.13 -1.26 0.18 120.64 131.91 2dms n GLU 48 Ca 0.14 1.01 -0.12 0.00 0.66 0.00 0.00 57.16 58.85 2dms n GLU 48 Cb 0.43 -2.43 -0.05 0.00 0.27 0.00 0.00 31.44 29.67 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 0.52 -0.48 4.31 0.87 -1.98 -2.60 113.55 114.19 2dms h SER 49 Ca 0.67 -0.39 0.02 0.00 -1.23 0.00 0.00 61.79 60.86 2dms h SER 49 Cb 3.20 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 64.99 2dms h SER 49 CO -0.01 0.79 0.32 0.03 -0.53 0.00 0.00 176.83 177.43 2dms h ARG 50 N 0.24 0.58 0.47 2.24 2.47 0.16 -2.78 114.38 117.76 2dms h ARG 50 Ca 0.06 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.72 2dms h ARG 50 Cb 0.57 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 2dms h ARG 50 CO 0.03 0.38 -0.22 0.28 0.56 0.00 0.00 179.97 181.00 2dms h VAL 51 N 0.60 0.38 -0.98 2.04 2.07 -1.37 -1.08 116.25 117.91 2dms h VAL 51 Ca 0.19 -0.49 0.30 0.00 0.82 0.00 0.00 66.70 67.52 2dms h VAL 51 Cb 0.01 0.55 -0.15 0.00 -1.52 0.00 0.00 31.29 30.19 2dms h VAL 51 CO -0.04 0.06 0.52 -0.61 0.02 0.00 0.00 177.57 177.52 2dms h GLN 52 N -0.97 0.33 0.34 1.57 -0.00 -1.28 -1.57 115.11 113.52 2dms h GLN 52 Ca -0.06 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.55 2dms h GLN 52 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.99 2dms h GLN 52 CO 0.11 0.22 -0.16 0.28 0.00 0.00 0.00 178.83 179.27 2dms h VAL 53 N 0.34 0.00 -0.85 2.39 2.07 -1.44 -3.11 116.25 115.65 2dms h VAL 53 Ca 0.70 -0.47 0.31 0.00 0.82 0.00 0.00 66.70 68.06 2dms h VAL 53 Cb 1.53 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.15 2dms h VAL 53 CO -0.60 0.00 0.31 1.87 0.02 0.00 0.00 177.57 179.17 2dms n TRP 54 N -4.52 0.84 -0.20 1.57 -0.00 -0.41 0.22 117.44 114.93 2dms n TRP 54 Ca -0.06 1.01 -0.08 0.00 -0.00 0.00 0.00 57.50 58.38 2dms n TRP 54 Cb 0.18 -1.32 0.02 0.00 -0.00 0.00 0.00 31.31 30.19 2dms n TRP 54 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 2dms h PHE 55 N 0.00 0.87 -0.28 5.87 0.04 -1.36 0.34 116.94 122.42 2dms h PHE 55 Ca 0.65 -0.07 -0.18 0.00 2.80 0.00 0.00 57.97 61.18 2dms h PHE 55 Cb 1.62 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 39.51 2dms h PHE 55 CO -0.16 0.70 -0.53 -0.22 -0.60 0.00 0.00 178.31 177.51 2dms h LYS 56 N 0.79 0.86 -0.36 1.51 3.64 0.28 -0.56 116.57 122.73 2dms h LYS 56 Ca 0.19 -0.54 -0.14 0.00 -1.27 0.00 0.00 60.65 58.89 2dms h LYS 56 Cb 0.20 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2dms h LYS 56 CO -0.02 1.18 -0.35 -0.91 -2.27 0.00 0.00 179.45 177.08 2dms h ASN 57 N 0.63 0.86 0.07 4.20 4.21 -0.39 -2.78 115.58 122.38 2dms h ASN 57 Ca 0.01 -0.37 -0.00 0.00 1.21 0.00 0.00 56.30 57.15 2dms h ASN 57 Cb 1.14 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 38.10 2dms h ASN 57 CO 0.12 1.12 -0.03 -0.09 -1.29 0.00 0.00 177.43 177.26 2dms h ARG 58 N 0.68 -0.09 -0.23 0.81 9.65 -0.31 -2.90 114.38 121.99 2dms h ARG 58 Ca 0.07 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.00 2dms h ARG 58 Cb 0.90 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 29.43 2dms h ARG 58 CO 0.08 0.42 -0.47 -0.09 2.80 0.00 0.00 179.97 182.70 2dms h ARG 59 N -0.65 -0.46 -0.25 0.20 2.43 -1.14 -2.19 114.38 112.32 2dms h ARG 59 Ca -0.01 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 2dms h ARG 59 Cb 0.54 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.12 2dms h ARG 59 CO 0.02 -0.30 -0.34 0.00 -1.51 0.00 0.00 179.97 177.83 2dms h ALA 60 N 0.05 -0.34 -0.91 2.80 0.00 -1.59 -0.50 119.26 118.77 2dms h ALA 60 Ca 0.08 0.05 0.38 0.00 0.00 0.00 0.00 54.91 55.41 2dms h ALA 60 Cb 0.63 0.69 -0.16 0.00 0.00 0.00 0.00 17.79 18.95 2dms h ALA 60 CO -0.47 -0.79 0.50 1.63 0.00 0.00 0.00 179.25 180.11 2dms n LYS 61 N -5.42 -0.05 -0.27 0.00 4.76 -0.84 0.02 118.16 116.35 2dms n LYS 61 Ca -0.02 1.22 -0.06 0.00 -2.87 0.00 0.00 58.31 56.59 2dms n LYS 61 Cb 0.34 -2.20 -0.01 0.00 -1.84 0.00 0.00 35.03 31.31 2dms n LYS 61 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dms h ARG 63 N -0.13 -0.16 0.22 0.00 3.08 -0.55 -2.33 114.38 114.51 2dms h ARG 63 Ca 0.24 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.31 2dms h ARG 63 Cb 0.56 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 2dms h ARG 63 CO -0.79 -0.11 -0.28 0.37 -1.07 0.00 0.00 179.97 178.09 2dms h GLN 64 N -0.16 -0.54 -7.56 0.04 5.75 -1.03 -3.43 115.11 108.18 2dms h GLN 64 Ca 0.18 0.04 -0.45 0.00 -0.15 0.00 0.00 58.65 58.27 2dms h GLN 64 Cb 0.45 0.12 0.14 0.00 1.07 0.00 0.00 27.48 29.26 2dms h GLN 64 CO -0.47 -0.36 0.32 1.14 -2.65 0.00 0.00 178.83 176.81 2dms s GLN 65 N -6.05 0.97 -1.49 1.69 -2.07 0.15 -4.10 119.66 108.77 2dms s GLN 65 Ca -0.16 0.11 -0.07 0.00 -1.82 0.00 0.00 55.36 53.43 2dms s GLN 65 Cb 0.07 -1.84 0.01 0.00 -1.09 0.00 0.00 33.01 30.17 2dms s GLN 65 CO 0.64 -2.28 0.78 1.04 -1.32 0.00 0.00 175.29 174.16 2dms n GLN 66 N -3.79 -5.73 -0.13 9.60 1.13 -1.26 -4.82 117.38 112.38 2dms n GLN 66 Ca 0.09 0.86 -0.27 0.00 -1.94 0.00 0.00 57.00 55.74 2dms n GLN 66 Cb 0.60 -5.77 -0.11 0.00 0.11 0.00 0.00 30.24 25.07 2dms n GLN 66 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2dms n GLN 67 N -4.33 0.60 -1.79 -1.09 7.27 -1.26 -5.00 117.38 111.79 2dms n GLN 67 Ca -0.07 0.28 -0.30 0.00 0.07 0.00 0.00 57.00 56.98 2dms n GLN 67 Cb 0.60 -1.53 0.17 0.00 2.41 0.00 0.00 30.24 31.89 2dms n GLN 67 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 2dms s GLN 68 N -2.50 0.70 0.15 3.69 -2.07 -1.26 -5.02 119.66 113.35 2dms s GLN 68 Ca -0.37 -0.22 -0.29 0.00 -1.82 0.00 0.00 55.36 52.67 2dms s GLN 68 Cb 0.13 -1.83 -0.07 0.00 -1.09 0.00 0.00 33.01 30.14 2dms s GLN 68 CO 0.53 -2.41 0.92 1.14 -1.32 0.00 0.00 175.29 174.15 2dms s GLN 69 N -5.73 4.72 -0.07 9.60 -2.07 -1.26 -5.03 119.66 119.82 2dms s GLN 69 Ca 0.71 1.40 -0.32 0.00 -1.82 0.00 0.00 55.36 55.33 2dms s GLN 69 Cb -0.07 -3.34 0.12 0.00 -1.09 0.00 0.00 33.01 28.64 2dms s GLN 69 CO 0.53 0.35 1.18 -1.14 -1.32 0.00 0.00 175.29 174.89 2dms s GLN 70 N -0.47 0.48 0.14 9.60 0.74 -1.26 -5.05 119.66 123.84 2dms s GLN 70 Ca 0.43 -0.22 -0.25 0.00 0.05 0.00 0.00 55.36 55.37 2dms s GLN 70 Cb -0.24 0.19 -0.03 0.00 1.10 0.00 0.00 33.01 34.03 2dms s GLN 70 CO 0.30 -0.21 1.28 -1.71 -0.55 0.00 0.00 175.29 174.39 2dms n ASN 71 N -0.29 -0.85 0.00 6.67 5.15 -1.26 -4.80 115.26 119.88 2dms n ASN 71 Ca -0.04 1.48 0.00 0.00 -0.60 0.00 0.00 54.58 55.41 2dms n ASN 71 Cb 0.61 -0.21 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 2dms n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dms n GLY 72 N -1.23 2.19 0.00 8.20 0.00 -1.26 -4.94 105.19 108.16 2dms n GLY 72 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2dms n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dms n GLY 73 N 0.00 0.23 3.20 -0.02 0.00 -1.26 -5.18 105.19 102.16 2dms n GLY 73 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 0.47 -0.18 1.61 -2.07 -1.26 -5.15 119.66 113.09 2dms s GLN 74 Ca 0.00 0.13 0.01 0.00 -1.82 0.00 0.00 55.36 53.68 2dms s GLN 74 Cb 0.00 0.22 0.03 0.00 -1.09 0.00 0.00 33.01 32.17 2dms s GLN 74 CO 0.00 -0.10 -0.14 -1.54 -1.32 0.00 0.00 175.29 172.19 2dms s SER 75 N -0.50 3.10 0.00 12.60 1.04 -1.26 -5.07 113.70 123.61 2dms s SER 75 Ca -0.06 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2dms s SER 75 Cb -0.04 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 64.79 2dms s SER 75 CO 0.02 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2dms n GLY 76 N 4.69 4.62 3.77 7.32 0.00 -1.26 -5.13 105.19 119.20 2dms n GLY 76 Ca -0.17 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.86 3.68 0.54 1.61 0.04 -1.26 -5.06 135.00 130.69 2dms s PRO 77 Ca 0.00 1.74 0.08 0.00 0.04 0.00 0.00 61.00 62.85 2dms s PRO 77 Cb 0.00 -2.32 0.07 0.00 0.04 0.00 0.00 34.50 32.28 2dms s PRO 77 CO 0.00 -0.61 0.74 -1.54 0.04 0.00 0.00 177.00 175.63 2dms s SER 78 N -1.45 5.21 0.08 6.66 1.04 -1.26 -5.11 113.70 118.87 2dms s SER 78 Ca 0.65 -0.63 -0.06 0.00 0.48 0.00 0.00 55.95 56.40 2dms s SER 78 Cb -0.27 -0.08 -0.05 0.00 0.10 0.00 0.00 66.02 65.72 2dms s SER 78 CO 0.33 -1.21 0.32 -0.55 0.98 0.00 0.00 173.24 173.12 2dms s SER 79 N -4.57 6.50 0.00 7.02 0.15 -1.26 -5.31 113.70 116.23 2dms s SER 79 Ca 0.60 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.82 2dms s SER 79 Cb -0.07 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2dms s SER 79 CO 0.38 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.58