#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 -0.27 0.16 1.61 0.01 -1.26 -5.18 113.70 108.77 2dms s SER 2 Ca 0.00 -0.06 0.07 0.00 1.31 0.00 0.00 55.95 57.28 2dms s SER 2 Cb 0.00 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.62 2dms s SER 2 CO 0.00 -0.70 -0.16 -0.44 0.41 0.00 0.00 173.24 172.36 2dms s SER 3 N -2.14 2.40 0.06 2.44 0.01 -1.26 -5.15 113.70 110.07 2dms s SER 3 Ca -0.04 -0.89 -0.07 0.00 1.31 0.00 0.00 55.95 56.26 2dms s SER 3 Cb -0.00 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.13 2dms s SER 3 CO -0.04 -0.12 0.32 0.61 0.41 0.00 0.00 173.24 174.42 2dms n GLY 4 N 0.17 1.13 3.42 3.44 0.00 -1.26 -4.95 105.19 107.15 2dms n GLY 4 Ca -0.12 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.75 -0.53 -0.21 1.61 0.15 -1.26 -5.16 113.70 106.55 2dms s SER 5 Ca 0.07 0.11 -0.07 0.00 0.70 0.00 0.00 55.95 56.76 2dms s SER 5 Cb -0.01 0.56 0.10 0.00 -1.71 0.00 0.00 66.02 64.96 2dms s SER 5 CO 0.02 -0.86 0.44 -0.44 1.20 0.00 0.00 173.24 173.60 2dms s SER 6 N -2.37 -0.33 -0.30 5.45 0.01 -1.26 -5.13 113.70 109.78 2dms s SER 6 Ca -0.02 1.01 -0.01 0.00 1.31 0.00 0.00 55.95 58.25 2dms s SER 6 Cb -0.00 1.44 0.19 0.00 0.21 0.00 0.00 66.02 67.85 2dms s SER 6 CO -0.07 -0.23 0.69 -0.83 0.41 0.00 0.00 173.24 173.21 2dms s GLY 7 N 2.64 -1.02 -0.83 3.44 0.00 -1.26 -5.08 107.32 105.21 2dms s GLY 7 Ca -0.01 1.68 -0.26 0.00 0.00 0.00 0.00 44.72 46.13 2dms s GLY 7 CO -0.14 3.62 2.30 0.50 0.00 0.00 0.00 173.10 179.39 2dms s ARG 8 N 2.87 1.76 -0.09 2.90 0.52 -1.26 -4.80 118.95 120.85 2dms s ARG 8 Ca 0.15 0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 55.33 2dms s ARG 8 Cb -0.11 -4.85 0.12 0.00 0.52 0.00 0.00 34.95 30.62 2dms s ARG 8 CO -0.22 -4.31 0.96 0.50 0.02 0.00 0.00 175.30 172.25 2dms s ARG 9 N 8.49 0.68 -0.73 3.54 3.52 -1.26 -5.11 118.95 128.08 2dms s ARG 9 Ca 0.87 -0.09 -0.25 0.00 -0.13 0.00 0.00 55.73 56.13 2dms s ARG 9 Cb -0.11 0.32 0.05 0.00 -1.56 0.00 0.00 34.95 33.64 2dms s ARG 9 CO 0.07 -0.26 1.18 -2.00 -0.81 0.00 0.00 175.30 173.47 2dms s GLU 10 N -2.18 3.19 -0.15 5.12 2.56 -1.26 -4.96 118.70 121.02 2dms s GLU 10 Ca 0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 54.97 54.37 2dms s GLU 10 Cb -0.01 -4.28 0.05 0.00 2.00 0.00 0.00 34.13 31.90 2dms s GLU 10 CO -0.04 -2.03 0.37 1.03 -0.56 0.00 0.00 175.26 174.04 2dms s ARG 11 N 5.05 0.37 -0.15 4.30 1.81 -1.26 -5.14 118.95 123.93 2dms s ARG 11 Ca 0.31 0.69 -0.25 0.00 -1.72 0.00 0.00 55.73 54.76 2dms s ARG 11 Cb -0.11 0.01 -0.02 0.00 -0.45 0.00 0.00 34.95 34.38 2dms s ARG 11 CO 0.11 -0.14 0.80 0.99 -0.68 0.00 0.00 175.30 176.38 2dms s THR 12 N 1.12 4.92 -0.55 0.02 2.01 -1.26 -4.95 115.64 116.95 2dms s THR 12 Ca -0.08 1.57 0.01 0.00 0.31 0.00 0.00 61.69 63.51 2dms s THR 12 Cb -0.08 -4.11 0.49 0.00 0.01 0.00 0.00 72.50 68.81 2dms s THR 12 CO -0.09 0.08 1.85 0.41 -0.69 0.00 0.00 174.62 176.18 2dms n THR 13 N 4.54 3.33 -3.97 -0.82 -1.04 -1.26 -4.87 114.28 110.20 2dms n THR 13 Ca 0.03 -2.97 -0.31 0.00 -2.04 0.00 0.00 64.05 58.77 2dms n THR 13 Cb 0.49 -1.00 -0.15 0.00 -1.82 0.00 0.00 70.33 67.85 2dms n THR 13 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2dms s PHE 14 N -3.68 3.08 0.65 -1.42 0.08 -1.26 -5.06 117.98 110.38 2dms s PHE 14 Ca 0.60 -2.44 -0.09 0.00 0.12 0.00 0.00 56.93 55.13 2dms s PHE 14 Cb 0.48 -2.29 0.01 0.00 -0.57 0.00 0.00 43.02 40.65 2dms s PHE 14 CO 0.02 -0.89 1.01 0.95 -0.10 0.00 0.00 175.22 176.20 2dms s THR 15 N 1.15 3.67 0.32 0.64 -4.23 -1.26 -4.76 115.64 111.17 2dms s THR 15 Ca 0.04 0.31 0.10 0.00 -1.18 0.00 0.00 61.69 60.95 2dms s THR 15 Cb -0.19 -3.50 0.31 0.00 1.34 0.00 0.00 72.50 70.46 2dms s THR 15 CO -0.10 -0.60 1.71 -0.09 -0.54 0.00 0.00 174.62 175.00 2dms h ARG 16 N -0.42 0.48 -0.01 3.99 9.65 -1.99 0.32 114.38 126.40 2dms h ARG 16 Ca -0.45 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.40 2dms h ARG 16 Cb 1.25 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.72 2dms h ARG 16 CO 0.62 0.32 -0.00 0.00 2.80 0.00 0.00 179.97 183.71 2dms h ALA 17 N 1.76 0.01 -0.62 2.80 0.00 -2.00 -0.82 119.26 120.39 2dms h ALA 17 Ca 0.65 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.35 2dms h ALA 17 Cb 1.30 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2dms h ALA 17 CO -0.51 -0.26 0.41 1.96 0.00 0.00 0.00 179.25 180.84 2dms h GLN 18 N -0.42 0.79 0.40 0.00 4.20 -1.38 -2.93 115.11 115.76 2dms h GLN 18 Ca 0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2dms h GLN 18 Cb 0.45 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2dms h GLN 18 CO 0.00 0.52 -0.19 -0.07 -0.67 0.00 0.00 178.83 178.42 2dms h LEU 19 N 0.81 -0.45 -0.85 1.46 3.38 -0.41 -2.55 115.31 116.70 2dms h LEU 19 Ca 0.23 -0.05 0.27 0.00 0.09 0.00 0.00 57.88 58.42 2dms h LEU 19 Cb -0.06 0.12 -0.16 0.00 0.09 0.00 0.00 40.66 40.65 2dms h LEU 19 CO -0.05 -0.01 0.14 -0.67 0.09 0.00 0.00 178.44 177.94 2dms n ASP 20 N -5.14 0.01 0.11 -0.43 -0.08 -0.32 0.15 116.55 110.85 2dms n ASP 20 Ca -0.08 1.43 -0.12 0.00 -1.51 0.00 0.00 54.79 54.51 2dms n ASP 20 Cb 0.24 -0.57 -0.08 0.00 2.34 0.00 0.00 41.12 43.05 2dms n ASP 20 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2dms h VAL 21 N 0.00 0.79 -0.75 5.18 2.07 -1.56 -0.94 116.25 121.04 2dms h VAL 21 Ca 0.57 -0.82 0.15 0.00 0.82 0.00 0.00 66.70 67.43 2dms h VAL 21 Cb 1.30 1.22 -0.10 0.00 -1.52 0.00 0.00 31.29 32.18 2dms h VAL 21 CO -0.76 0.16 0.25 -0.07 0.02 0.00 0.00 177.57 177.18 2dms h LEU 22 N -0.77 0.17 0.13 2.57 3.38 0.15 -1.92 115.31 119.02 2dms h LEU 22 Ca -0.03 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2dms h LEU 22 Cb 0.50 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2dms h LEU 22 CO 0.05 0.04 -0.06 -0.33 0.09 0.00 0.00 178.44 178.23 2dms h GLU 23 N 0.37 -0.17 -0.95 1.13 5.08 -0.67 -2.76 114.58 116.61 2dms h GLU 23 Ca 0.42 0.01 0.28 0.00 -1.00 0.00 0.00 59.36 59.08 2dms h GLU 23 Cb 0.69 0.04 -0.17 0.00 0.50 0.00 0.00 28.75 29.81 2dms h GLU 23 CO -0.45 0.18 0.18 0.00 -1.00 0.00 0.00 179.01 177.92 2dms h ALA 24 N 0.26 1.37 -0.03 3.43 0.00 -0.42 1.46 119.26 125.33 2dms h ALA 24 Ca -0.02 0.29 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2dms h ALA 24 Cb 0.43 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2dms h ALA 24 CO 0.03 -0.60 -0.51 1.25 0.00 0.00 0.00 179.25 179.42 2dms h LEU 25 N 0.07 0.08 -0.73 0.00 5.85 -1.36 -2.89 115.31 116.33 2dms h LEU 25 Ca 0.63 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 59.17 2dms h LEU 25 Cb 1.36 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 2dms h LEU 25 CO -0.81 0.58 -0.63 0.15 -0.34 0.00 0.00 178.44 177.39 2dms h PHE 26 N 0.06 0.03 0.00 1.25 3.04 0.22 0.10 116.94 121.65 2dms h PHE 26 Ca -0.00 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 2dms h PHE 26 Cb 0.92 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.43 2dms h PHE 26 CO 0.01 0.65 -0.07 0.00 -2.02 0.00 0.00 178.31 176.87 2dms h ALA 27 N 1.35 1.01 0.00 2.41 0.00 -0.54 -3.21 119.26 120.29 2dms h ALA 27 Ca -0.01 -0.07 -0.37 0.00 0.00 0.00 0.00 54.91 54.47 2dms h ALA 27 Cb 1.12 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 2dms h ALA 27 CO 0.08 0.09 -2.40 0.36 0.00 0.00 0.00 179.25 177.38 2dms n LYS 28 N -3.19 0.69 -3.41 0.00 2.85 -1.09 -4.95 118.16 109.05 2dms n LYS 28 Ca 0.01 0.09 -0.06 0.00 -1.05 0.00 0.00 58.31 57.30 2dms n LYS 28 Cb 0.35 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.16 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 -2.49 -0.71 0.39 0.58 -1.32 0.33 -5.02 115.64 107.40 2dms s THR 29 Ca -0.26 0.01 0.15 0.00 -1.21 0.00 0.00 61.69 60.38 2dms s THR 29 Cb 0.08 -0.82 0.13 0.00 -1.51 0.00 0.00 72.50 70.38 2dms s THR 29 CO 0.66 -0.04 1.88 0.03 -2.21 0.00 0.00 174.62 174.94 2dms h ARG 30 N 8.14 0.00 -3.11 7.08 -0.00 -1.77 -3.34 114.38 121.37 2dms h ARG 30 Ca -0.19 0.00 -0.63 0.00 -0.50 0.00 0.00 59.98 58.66 2dms h ARG 30 Cb 1.14 0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.70 2dms h ARG 30 CO 0.22 0.30 -0.54 0.71 0.00 0.00 0.00 179.97 180.67 2dms s TYR 31 N -4.28 3.59 0.73 3.04 1.51 -1.26 -4.98 117.35 115.70 2dms s TYR 31 Ca -0.03 -3.32 -0.12 0.00 -1.01 0.00 0.00 57.07 52.59 2dms s TYR 31 Cb 0.14 -2.75 0.04 0.00 -0.11 0.00 0.00 41.96 39.28 2dms s TYR 31 CO 0.71 -0.57 1.10 -1.25 -1.11 0.00 0.00 175.55 174.43 2dms s PRO 32 N -1.41 2.45 0.71 -1.71 0.04 -1.25 -5.06 135.00 128.77 2dms s PRO 32 Ca 0.25 1.25 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 2dms s PRO 32 Cb -0.06 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.67 2dms s PRO 32 CO -0.16 -1.50 0.99 -0.51 0.04 0.00 0.00 177.00 175.86 2dms s ASP 33 N -3.10 4.51 0.22 6.66 1.01 -1.26 -4.85 116.67 119.86 2dms s ASP 33 Ca 0.63 -0.02 -0.08 0.00 0.71 0.00 0.00 52.55 53.80 2dms s ASP 33 Cb -0.18 -0.49 0.33 0.00 1.01 0.00 0.00 42.92 43.59 2dms s ASP 33 CO 0.51 -1.75 1.75 -0.29 0.21 0.00 0.00 175.17 175.60 2dms h ILE 34 N -0.55 0.77 -0.18 0.77 6.09 -1.99 -0.92 117.51 121.50 2dms h ILE 34 Ca -0.40 -0.16 0.03 0.00 -1.37 0.00 0.00 64.86 62.95 2dms h ILE 34 Cb 1.28 0.25 -0.03 0.00 0.47 0.00 0.00 36.82 38.79 2dms h ILE 34 CO 0.47 0.09 -0.01 -0.26 -3.07 0.00 0.00 178.15 175.37 2dms h PHE 35 N 0.48 -0.03 -0.04 2.19 0.04 -1.99 -0.78 116.94 116.80 2dms h PHE 35 Ca 0.34 0.01 0.01 0.00 2.80 0.00 0.00 57.97 61.14 2dms h PHE 35 Cb 0.43 0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 2dms h PHE 35 CO -0.15 -0.04 -0.04 0.52 -0.60 0.00 0.00 178.31 178.00 2dms h MET 36 N 0.04 -0.06 -0.92 1.51 2.86 -1.73 -1.68 114.93 114.95 2dms h MET 36 Ca 0.09 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.84 2dms h MET 36 Cb 0.12 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.71 2dms h MET 36 CO -0.16 -0.04 0.56 0.00 1.06 0.00 0.00 176.91 178.33 2dms h ARG 37 N -0.06 0.89 0.13 1.72 3.08 -0.91 -2.20 114.38 117.03 2dms h ARG 37 Ca 0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2dms h ARG 37 Cb 0.10 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2dms h ARG 37 CO -0.07 0.59 -0.06 0.93 -1.07 0.00 0.00 179.97 180.28 2dms h GLU 38 N 0.92 -0.17 0.05 0.04 5.08 -0.65 -0.52 114.58 119.33 2dms h GLU 38 Ca 0.45 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.83 2dms h GLU 38 Cb 0.41 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 2dms h GLU 38 CO -0.25 -0.04 -0.44 1.49 -1.00 0.00 0.00 179.01 178.77 2dms h GLU 39 N -0.26 -0.57 0.39 2.33 4.81 -0.74 0.12 114.58 120.67 2dms h GLU 39 Ca -0.02 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2dms h GLU 39 Cb 0.21 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 2dms h GLU 39 CO 0.03 -0.38 -0.49 0.28 -0.73 0.00 0.00 179.01 177.72 2dms h VAL 40 N -0.59 0.00 -1.11 0.32 2.07 -1.44 0.31 116.25 115.82 2dms h VAL 40 Ca 0.00 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.84 2dms h VAL 40 Cb 0.61 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 2dms h VAL 40 CO -0.27 0.00 0.93 0.00 0.02 0.00 0.00 177.57 178.26 2dms h ALA 41 N -0.85 2.99 0.00 1.67 0.00 -0.95 1.46 119.26 123.58 2dms h ALA 41 Ca -0.05 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2dms h ALA 41 Cb 0.81 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2dms h ALA 41 CO -0.12 -1.51 -1.33 -0.07 0.00 0.00 0.00 179.25 176.23 2dms h LEU 42 N 0.00 0.00 0.00 0.00 3.38 0.48 0.48 115.31 119.66 2dms h LEU 42 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.50 2dms h LEU 42 Cb 2.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.14 2dms h LEU 42 CO -0.01 0.51 -0.09 0.50 0.09 0.00 0.00 178.44 179.45 2dms h LYS 43 N 0.00 0.00 0.00 1.13 3.64 0.56 -3.33 116.57 118.57 2dms h LYS 43 Ca -0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2dms h LYS 43 Cb 1.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 2dms h LYS 43 CO 0.04 0.00 0.00 0.44 -2.27 0.00 0.00 179.45 177.66 2dms n ILE 44 N -3.71 1.87 -2.78 2.00 -5.35 0.69 -4.81 119.36 107.27 2dms n ILE 44 Ca -0.01 0.47 -0.09 0.00 -0.27 0.00 0.00 62.75 62.84 2dms n ILE 44 Cb 0.05 -1.46 0.04 0.00 -1.74 0.00 0.00 39.64 36.53 2dms n ILE 44 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2dms n ASN 45 N -1.48 -2.62 -4.17 7.28 5.15 -1.22 -4.77 115.26 113.43 2dms n ASN 45 Ca 0.00 -0.29 -0.15 0.00 -0.60 0.00 0.00 54.58 53.55 2dms n ASN 45 Cb 0.01 -2.70 -0.11 0.00 -0.53 0.00 0.00 39.78 36.45 2dms n ASN 45 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dms s LEU 46 N -4.07 2.39 0.14 1.20 1.43 0.16 -5.03 118.68 114.91 2dms s LEU 46 Ca 0.08 -0.79 -0.31 0.00 -1.03 0.00 0.00 54.13 52.09 2dms s LEU 46 Cb -0.04 -0.32 -0.08 0.00 0.03 0.00 0.00 46.19 45.79 2dms s LEU 46 CO 0.35 -0.24 1.34 -2.16 0.23 0.00 0.00 176.35 175.86 2dms s PRO 47 N -2.66 4.36 0.43 1.29 0.04 -1.26 -4.23 135.00 132.97 2dms s PRO 47 Ca 0.04 2.04 0.35 0.00 0.04 0.00 0.00 61.00 63.47 2dms s PRO 47 Cb -0.04 -3.23 1.41 0.00 0.04 0.00 0.00 34.50 32.68 2dms s PRO 47 CO 0.00 -0.34 1.40 -1.91 0.04 0.00 0.00 177.00 176.19 2dms n GLU 48 N 3.39 -0.02 0.33 4.56 0.00 -1.26 0.62 120.64 128.26 2dms n GLU 48 Ca 0.09 1.07 -0.17 0.00 0.00 0.00 0.00 57.16 58.15 2dms n GLU 48 Cb 0.43 -2.23 -0.09 0.00 0.00 0.00 0.00 31.44 29.55 2dms n GLU 48 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2dms h SER 49 N 0.00 -0.68 -0.97 4.31 0.02 -1.97 -0.47 113.55 113.78 2dms h SER 49 Ca 0.81 0.02 0.21 0.00 -0.84 0.00 0.00 61.79 61.99 2dms h SER 49 Cb 2.84 0.18 -0.09 0.00 0.14 0.00 0.00 62.40 65.47 2dms h SER 49 CO -0.28 -0.48 0.62 0.03 -1.14 0.00 0.00 176.83 175.57 2dms h ARG 50 N -0.81 0.54 0.22 3.45 2.47 -0.19 0.11 114.38 120.17 2dms h ARG 50 Ca -0.08 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.59 2dms h ARG 50 Cb 0.62 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 2dms h ARG 50 CO 0.14 0.36 -0.10 0.28 0.56 0.00 0.00 179.97 181.20 2dms h VAL 51 N 0.55 0.84 -0.62 2.04 2.07 -1.24 -0.33 116.25 119.56 2dms h VAL 51 Ca 0.53 -0.80 0.09 0.00 0.82 0.00 0.00 66.70 67.34 2dms h VAL 51 Cb 1.11 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 2dms h VAL 51 CO -0.28 0.17 0.26 -0.61 0.02 0.00 0.00 177.57 177.13 2dms h GLN 52 N -0.73 0.45 0.50 1.57 4.15 -0.23 -2.70 115.11 118.12 2dms h GLN 52 Ca -0.03 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 2dms h GLN 52 Cb 0.50 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.09 2dms h GLN 52 CO 0.05 0.30 -0.24 0.28 -1.93 0.00 0.00 178.83 177.29 2dms h VAL 53 N 0.46 0.38 -1.03 2.39 2.07 -1.04 -2.87 116.25 116.61 2dms h VAL 53 Ca 0.31 -0.41 0.40 0.00 0.82 0.00 0.00 66.70 67.82 2dms h VAL 53 Cb 0.35 0.52 -0.15 0.00 -1.52 0.00 0.00 31.29 30.50 2dms h VAL 53 CO -0.28 0.05 0.61 1.87 0.02 0.00 0.00 177.57 179.84 2dms n TRP 54 N -5.28 0.90 -0.03 1.57 -0.00 -0.14 0.12 117.44 114.59 2dms n TRP 54 Ca -0.11 0.91 -0.13 0.00 -0.00 0.00 0.00 57.50 58.17 2dms n TRP 54 Cb 0.31 -1.32 -0.09 0.00 -0.00 0.00 0.00 31.31 30.21 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 0.17 -0.48 5.87 0.04 -1.37 -1.45 116.94 119.72 2dms h PHE 55 Ca 0.78 -0.06 0.06 0.00 2.80 0.00 0.00 57.97 61.55 2dms h PHE 55 Cb 2.24 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 40.30 2dms h PHE 55 CO -0.01 0.63 0.19 0.87 -0.60 0.00 0.00 178.31 179.39 2dms h LYS 56 N -0.34 0.37 0.65 1.51 1.57 0.11 -0.04 116.57 120.41 2dms h LYS 56 Ca 0.01 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2dms h LYS 56 Cb 0.61 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.84 2dms h LYS 56 CO 0.02 0.24 -0.31 -0.91 -0.57 0.00 0.00 179.45 177.92 2dms h ASN 57 N 0.38 -0.74 -0.40 0.86 2.35 -1.10 -1.87 115.58 115.06 2dms h ASN 57 Ca 0.22 -0.01 0.07 0.00 -0.55 0.00 0.00 56.30 56.03 2dms h ASN 57 Cb 0.20 0.19 -0.09 0.00 0.05 0.00 0.00 38.32 38.67 2dms h ASN 57 CO -0.21 -0.40 -0.38 -0.09 -1.65 0.00 0.00 177.43 174.71 2dms h ARG 58 N -1.11 -0.28 -0.60 0.81 9.65 -1.14 0.16 114.38 121.87 2dms h ARG 58 Ca -0.09 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 58.91 2dms h ARG 58 Cb 0.71 0.06 -0.08 0.00 -1.39 0.00 0.00 29.97 29.28 2dms h ARG 58 CO 0.15 -0.19 0.17 0.00 2.80 0.00 0.00 179.97 182.90 2dms h ARG 59 N -0.29 0.32 -0.77 0.20 3.08 -1.04 -1.15 114.38 114.72 2dms h ARG 59 Ca 0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2dms h ARG 59 Cb 0.57 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 2dms h ARG 59 CO -0.56 0.21 0.49 0.00 -1.07 0.00 0.00 179.97 179.04 2dms h ALA 60 N 1.44 0.98 0.02 0.04 0.00 -0.23 -2.96 119.26 118.54 2dms h ALA 60 Ca 0.31 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2dms h ALA 60 Cb 0.42 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2dms h ALA 60 CO -0.35 0.42 -0.32 0.87 0.00 0.00 0.00 179.25 179.87 2dms h LYS 61 N 1.05 -0.46 -0.79 0.00 1.79 0.50 -2.13 116.57 116.54 2dms h LYS 61 Ca 0.28 0.03 0.17 0.00 -2.18 0.00 0.00 60.65 58.95 2dms h LYS 61 Cb -0.08 0.10 -0.15 0.00 -1.58 0.00 0.00 32.23 30.53 2dms h LYS 61 CO -0.06 -0.31 -0.12 0.00 -1.08 0.00 0.00 179.45 177.88 2dms h ARG 63 N 0.03 -0.66 -0.18 0.00 3.08 -1.35 -2.72 114.38 112.59 2dms h ARG 63 Ca 0.40 0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.54 2dms h ARG 63 Cb 0.66 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.81 2dms h ARG 63 CO -0.77 -0.44 -0.14 0.37 -1.07 0.00 0.00 179.97 177.92 2dms h GLN 64 N -0.68 -0.14 -6.67 0.04 5.75 -0.78 -3.25 115.11 109.37 2dms h GLN 64 Ca 0.01 0.01 -0.53 0.00 -0.15 0.00 0.00 58.65 58.00 2dms h GLN 64 Cb 0.69 0.03 0.05 0.00 1.07 0.00 0.00 27.48 29.32 2dms h GLN 64 CO -0.21 -0.09 0.81 -1.14 -2.65 0.00 0.00 178.83 175.54 2dms s GLN 65 N -6.16 4.25 -1.57 1.69 0.74 0.05 -2.64 119.66 116.03 2dms s GLN 65 Ca -0.14 2.31 -0.12 0.00 0.05 0.00 0.00 55.36 57.46 2dms s GLN 65 Cb 0.11 -3.14 0.09 0.00 1.10 0.00 0.00 33.01 31.18 2dms s GLN 65 CO 0.68 -0.51 0.78 1.04 -0.55 0.00 0.00 175.29 176.73 2dms n GLN 66 N 3.16 -4.07 -2.65 1.67 6.02 -1.26 -4.84 117.38 115.41 2dms n GLN 66 Ca 0.10 0.47 -0.42 0.00 -0.01 0.00 0.00 57.00 57.14 2dms n GLN 66 Cb 0.40 -5.12 -0.03 0.00 1.02 0.00 0.00 30.24 26.51 2dms n GLN 66 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2dms s GLN 67 N -6.70 4.46 -1.83 -1.09 -0.44 -1.08 -3.77 119.66 109.22 2dms s GLN 67 Ca 0.53 1.47 -0.20 0.00 -2.50 0.00 0.00 55.36 54.65 2dms s GLN 67 Cb -0.28 -3.50 0.20 0.00 -1.64 0.00 0.00 33.01 27.79 2dms s GLN 67 CO 0.88 -0.24 0.54 0.00 0.50 0.00 0.00 175.29 176.98 2dms n GLN 68 N 4.57 -0.99 -4.10 1.67 10.64 -1.26 -4.91 117.38 123.01 2dms n GLN 68 Ca 0.08 0.16 -0.27 0.00 -1.83 0.00 0.00 57.00 55.14 2dms n GLN 68 Cb 0.49 -4.62 -0.06 0.00 -0.86 0.00 0.00 30.24 25.19 2dms n GLN 68 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2dms s GLN 69 N -7.23 2.82 -0.59 2.61 2.00 -1.25 -5.08 119.66 112.94 2dms s GLN 69 Ca 0.72 -0.88 -0.16 0.00 -2.00 0.00 0.00 55.36 53.04 2dms s GLN 69 Cb -0.42 -2.61 0.14 0.00 0.80 0.00 0.00 33.01 30.92 2dms s GLN 69 CO 1.02 0.49 0.57 -0.65 -0.50 0.00 0.00 175.29 176.22 2dms s GLN 70 N -2.98 3.08 0.22 1.67 -0.21 -1.26 -5.01 119.66 115.17 2dms s GLN 70 Ca 0.30 -1.76 -0.16 0.00 0.02 0.00 0.00 55.36 53.76 2dms s GLN 70 Cb -0.10 -4.32 0.01 0.00 1.00 0.00 0.00 33.01 29.60 2dms s GLN 70 CO 0.22 -1.36 0.51 1.21 -2.12 0.00 0.00 175.29 173.76 2dms s ASN 71 N 3.42 -0.19 0.00 5.90 2.47 -1.26 -5.02 114.94 120.26 2dms s ASN 71 Ca 0.06 -0.66 0.00 0.00 0.42 0.00 0.00 52.86 52.69 2dms s ASN 71 Cb -0.26 0.59 0.00 0.00 -1.45 0.00 0.00 41.25 40.12 2dms s ASN 71 CO 0.02 -1.10 0.00 0.61 -3.72 0.00 0.00 177.10 172.91 2dms n GLY 72 N -0.36 2.09 0.00 1.21 0.00 -1.26 -4.91 105.19 101.96 2dms n GLY 72 Ca -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.17 3.76 -0.02 0.00 -1.26 -5.11 105.19 102.73 2dms n GLY 73 Ca 0.00 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 2dms n GLY 73 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dms s GLN 74 N 0.00 3.34 -0.04 1.61 -0.21 -1.26 -5.05 119.66 118.05 2dms s GLN 74 Ca 0.00 1.81 -0.05 0.00 0.02 0.00 0.00 55.36 57.14 2dms s GLN 74 Cb 0.00 -2.15 0.01 0.00 1.00 0.00 0.00 33.01 31.88 2dms s GLN 74 CO 0.00 -0.91 0.13 -1.12 -2.12 0.00 0.00 175.29 171.28 2dms s SER 75 N -1.47 -0.11 0.00 5.90 0.01 -1.26 -5.15 113.70 111.62 2dms s SER 75 Ca 0.71 0.20 0.00 0.00 1.31 0.00 0.00 55.95 58.17 2dms s SER 75 Cb -0.30 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2dms s SER 75 CO 0.34 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2dms n GLY 76 N 2.78 4.28 0.17 3.44 0.00 -1.26 -4.98 105.19 109.62 2dms n GLY 76 Ca -0.14 -0.78 0.01 0.00 0.00 0.00 0.00 46.02 45.11 2dms n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dms h PRO 77 N 0.00 0.00 -5.95 1.61 0.13 -2.08 -3.45 132.00 122.26 2dms h PRO 77 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 2dms h PRO 77 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 2dms h PRO 77 CO 0.00 0.47 -0.64 -1.12 -0.23 0.00 0.00 178.00 176.48 2dms s SER 78 N -6.84 3.98 0.54 1.44 0.01 -1.26 -5.13 113.70 106.44 2dms s SER 78 Ca -0.02 -1.11 -0.17 0.00 1.31 0.00 0.00 55.95 55.96 2dms s SER 78 Cb 0.13 -0.44 -0.07 0.00 0.21 0.00 0.00 66.02 65.85 2dms s SER 78 CO 0.73 -0.25 1.02 -0.44 0.41 0.00 0.00 173.24 174.71 2dms s SER 79 N -3.68 6.29 0.00 2.44 0.01 -1.26 -5.06 113.70 112.44 2dms s SER 79 Ca 0.34 1.71 0.00 0.00 1.31 0.00 0.00 55.95 59.31 2dms s SER 79 Cb 0.02 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2dms s SER 79 CO 0.18 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.63