#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 5.29 -0.17 1.61 0.01 -1.26 -5.03 113.70 114.15 2dms s SER 2 Ca 0.00 -2.80 -0.01 0.00 1.31 0.00 0.00 55.95 54.45 2dms s SER 2 Cb 0.00 -1.86 0.05 0.00 0.21 0.00 0.00 66.02 64.41 2dms s SER 2 CO 0.00 -0.39 -0.02 -0.55 0.41 0.00 0.00 173.24 172.69 2dms s SER 3 N 0.81 2.80 -0.21 2.44 0.15 -1.26 -5.11 113.70 113.31 2dms s SER 3 Ca 0.16 -0.69 -0.22 0.00 0.70 0.00 0.00 55.95 55.90 2dms s SER 3 Cb -0.20 -0.79 -0.02 0.00 -1.71 0.00 0.00 66.02 63.30 2dms s SER 3 CO -0.04 -0.22 0.71 -0.83 1.20 0.00 0.00 173.24 174.06 2dms s GLY 4 N 1.72 1.96 0.22 9.45 0.00 -1.26 -5.05 107.32 114.36 2dms s GLY 4 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 44.72 44.55 2dms s GLY 4 CO -0.07 1.51 -0.03 -0.56 0.00 0.00 0.00 173.10 173.95 2dms s SER 5 N 1.27 1.93 -0.18 1.64 0.01 -1.26 -5.16 113.70 111.94 2dms s SER 5 Ca 0.31 -1.18 -0.13 0.00 1.31 0.00 0.00 55.95 56.27 2dms s SER 5 Cb -0.16 -0.01 0.06 0.00 0.21 0.00 0.00 66.02 66.11 2dms s SER 5 CO 0.10 -0.46 0.46 -0.94 0.41 0.00 0.00 173.24 172.81 2dms s SER 6 N -3.30 -0.55 0.39 2.44 1.04 -1.26 -5.17 113.70 107.29 2dms s SER 6 Ca 0.27 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.67 2dms s SER 6 Cb 0.05 0.90 0.00 0.00 0.10 0.00 0.00 66.02 67.07 2dms s SER 6 CO 0.08 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2dms n GLY 7 N 3.72 0.61 0.27 7.32 0.00 -1.26 -5.03 105.19 110.81 2dms n GLY 7 Ca -0.19 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 43.80 2dms n GLY 7 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2dms h ARG 8 N 0.00 -0.65 -4.51 1.61 1.12 -2.09 -3.46 114.38 106.39 2dms h ARG 8 Ca 0.00 0.04 -0.19 0.00 -1.11 0.00 0.00 59.98 58.73 2dms h ARG 8 Cb 0.00 0.15 -0.15 0.00 -0.01 0.00 0.00 29.97 29.96 2dms h ARG 8 CO 0.00 -0.43 -0.69 0.50 -3.11 0.00 0.00 179.97 176.24 2dms s ARG 9 N -4.46 0.76 -0.05 0.20 3.52 -1.26 -5.14 118.95 112.53 2dms s ARG 9 Ca -0.10 -1.30 -0.19 0.00 -0.13 0.00 0.00 55.73 54.01 2dms s ARG 9 Cb 0.01 -0.06 -0.05 0.00 -1.56 0.00 0.00 34.95 33.29 2dms s ARG 9 CO 0.29 -0.05 0.54 -1.21 -0.81 0.00 0.00 175.30 174.07 2dms s GLU 10 N -3.87 4.29 -0.69 5.12 8.01 -1.26 -5.03 118.70 125.26 2dms s GLU 10 Ca 0.10 0.62 -0.10 0.00 0.01 0.00 0.00 54.97 55.60 2dms s GLU 10 Cb 0.06 -3.37 0.18 0.00 -4.31 0.00 0.00 34.13 26.70 2dms s GLU 10 CO -0.06 0.31 0.59 0.50 0.01 0.00 0.00 175.26 176.61 2dms s ARG 11 N 0.06 3.09 -0.60 1.61 3.52 -1.26 -4.98 118.95 120.38 2dms s ARG 11 Ca 0.29 -2.33 0.04 0.00 -0.13 0.00 0.00 55.73 53.61 2dms s ARG 11 Cb -0.17 -4.14 0.15 0.00 -1.56 0.00 0.00 34.95 29.23 2dms s ARG 11 CO 0.15 -1.25 0.39 0.99 -0.81 0.00 0.00 175.30 174.77 2dms s THR 12 N 0.38 2.45 0.03 4.11 2.01 -1.26 -5.06 115.64 118.29 2dms s THR 12 Ca 0.15 -3.69 -0.24 0.00 0.31 0.00 0.00 61.69 58.22 2dms s THR 12 Cb -0.17 -2.65 0.05 0.00 0.01 0.00 0.00 72.50 69.75 2dms s THR 12 CO -0.05 -0.95 0.54 -0.89 -0.69 0.00 0.00 174.62 172.58 2dms s THR 13 N -0.81 0.02 -0.08 -0.82 2.01 -1.26 -5.13 115.64 109.57 2dms s THR 13 Ca 0.22 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 2dms s THR 13 Cb -0.12 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 2dms s THR 13 CO -0.10 -0.11 1.34 -0.36 -0.69 0.00 0.00 174.62 174.69 2dms s PHE 14 N -2.19 2.82 0.42 4.92 0.08 -1.26 -5.02 117.98 117.76 2dms s PHE 14 Ca -0.07 0.90 -0.04 0.00 0.12 0.00 0.00 56.93 57.85 2dms s PHE 14 Cb -0.01 -3.58 -0.04 0.00 -0.57 0.00 0.00 43.02 38.82 2dms s PHE 14 CO 0.00 -2.09 0.70 0.95 -0.10 0.00 0.00 175.22 174.68 2dms s THR 15 N 2.93 4.97 0.23 0.64 -4.23 -1.26 -4.86 115.64 114.06 2dms s THR 15 Ca 0.60 0.02 -0.08 0.00 -1.18 0.00 0.00 61.69 61.05 2dms s THR 15 Cb -0.27 -3.85 0.22 0.00 1.34 0.00 0.00 72.50 69.95 2dms s THR 15 CO 0.22 -0.70 1.67 -0.09 -0.54 0.00 0.00 174.62 175.17 2dms h ARG 16 N 0.56 0.17 -0.72 3.99 1.12 -1.98 0.42 114.38 117.96 2dms h ARG 16 Ca -0.48 -0.01 0.05 0.00 -1.11 0.00 0.00 59.98 58.43 2dms h ARG 16 Cb 1.21 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 31.08 2dms h ARG 16 CO 0.62 0.11 0.47 0.00 -3.11 0.00 0.00 179.97 178.07 2dms h ALA 17 N 1.60 1.65 0.04 2.80 0.00 -1.99 0.17 119.26 123.52 2dms h ALA 17 Ca 0.37 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 55.03 2dms h ALA 17 Cb 0.62 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2dms h ALA 17 CO -0.54 0.26 -1.01 1.96 0.00 0.00 0.00 179.25 179.92 2dms h GLN 18 N 0.80 0.19 0.29 0.00 4.20 -0.88 -3.32 115.11 116.39 2dms h GLN 18 Ca 0.30 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2dms h GLN 18 Cb 0.16 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2dms h GLN 18 CO -0.09 1.05 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.91 2dms h LEU 19 N 0.08 -0.33 -1.11 1.46 3.38 0.56 -1.85 115.31 117.50 2dms h LEU 19 Ca -0.07 0.01 0.37 0.00 0.09 0.00 0.00 57.88 58.29 2dms h LEU 19 Cb 1.70 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 42.44 2dms h LEU 19 CO 0.16 -0.01 0.73 -0.67 0.09 0.00 0.00 178.44 178.74 2dms n ASP 20 N -4.31 0.13 -0.07 -0.43 2.03 0.50 0.41 116.55 114.81 2dms n ASP 20 Ca -0.05 0.98 -0.08 0.00 0.52 0.00 0.00 54.79 56.17 2dms n ASP 20 Cb 0.15 -0.49 -0.06 0.00 -0.72 0.00 0.00 41.12 40.01 2dms n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2dms h VAL 21 N 0.00 0.71 -0.33 5.18 2.07 -1.65 -2.54 116.25 119.68 2dms h VAL 21 Ca 0.67 -1.58 0.07 0.00 0.82 0.00 0.00 66.70 66.67 2dms h VAL 21 Cb 2.24 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 33.34 2dms h VAL 21 CO -0.29 0.24 -0.13 -0.07 0.02 0.00 0.00 177.57 177.34 2dms h LEU 22 N -1.00 -0.46 -0.08 2.57 3.38 0.85 -0.06 115.31 120.50 2dms h LEU 22 Ca -0.04 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2dms h LEU 22 Cb 0.54 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2dms h LEU 22 CO -0.02 -0.17 0.02 -0.33 0.09 0.00 0.00 178.44 178.03 2dms h GLU 23 N -0.07 0.13 -0.80 1.13 4.39 -0.60 -0.40 114.58 118.36 2dms h GLU 23 Ca 0.17 -0.03 0.16 0.00 0.34 0.00 0.00 59.36 60.00 2dms h GLU 23 Cb 0.33 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 28.86 2dms h GLU 23 CO -0.38 0.30 0.34 0.00 -1.16 0.00 0.00 179.01 178.11 2dms h ALA 24 N 0.83 1.18 0.00 3.43 0.00 -0.98 0.39 119.26 124.10 2dms h ALA 24 Ca 0.03 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2dms h ALA 24 Cb 0.22 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2dms h ALA 24 CO -0.00 -0.22 -0.30 1.25 0.00 0.00 0.00 179.25 179.98 2dms h LEU 25 N 0.46 0.00 0.00 0.00 5.85 -0.86 -3.05 115.31 117.71 2dms h LEU 25 Ca 0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.18 2dms h LEU 25 Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2dms h LEU 25 CO -0.43 0.30 -0.15 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 0.12 -1.97 116.94 119.91 2dms h PHE 26 Ca -0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2dms h PHE 26 Cb 1.08 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 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 2.01 0.67 0.03 2.41 0.00 -0.31 -3.35 119.26 120.72 2dms h ALA 27 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 54.91 54.09 2dms h ALA 27 Cb 0.99 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2dms h ALA 27 CO 0.00 0.62 -1.67 0.36 0.00 0.00 0.00 179.25 178.56 2dms n LYS 28 N -3.02 0.61 -3.69 0.00 2.85 -1.17 -4.88 118.16 108.86 2dms n LYS 28 Ca -0.03 0.45 -0.28 0.00 -1.05 0.00 0.00 58.31 57.41 2dms n LYS 28 Cb 0.74 -1.69 -0.16 0.00 -0.65 0.00 0.00 35.03 33.26 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 -2.43 0.36 0.39 0.58 -1.32 -0.74 -5.00 115.64 107.48 2dms s THR 29 Ca -0.29 -0.55 0.09 0.00 -1.21 0.00 0.00 61.69 59.72 2dms s THR 29 Cb 0.08 -0.97 0.18 0.00 -1.51 0.00 0.00 72.50 70.28 2dms s THR 29 CO 0.61 -0.31 1.95 0.03 -2.21 0.00 0.00 174.62 174.69 2dms h ARG 30 N 8.29 0.30 -3.05 7.08 3.08 -1.78 -3.32 114.38 124.97 2dms h ARG 30 Ca -0.16 -0.05 -0.62 0.00 0.07 0.00 0.00 59.98 59.22 2dms h ARG 30 Cb 1.11 -0.05 -0.42 0.00 0.08 0.00 0.00 29.97 30.69 2dms h ARG 30 CO 0.35 0.36 -0.60 0.71 -1.07 0.00 0.00 179.97 179.72 2dms s TYR 31 N -4.90 3.40 0.97 3.04 1.51 -1.26 -4.99 117.35 115.12 2dms s TYR 31 Ca -0.06 -3.27 -0.12 0.00 -1.01 0.00 0.00 57.07 52.61 2dms s TYR 31 Cb 0.16 -2.60 0.17 0.00 -0.11 0.00 0.00 41.96 39.58 2dms s TYR 31 CO 0.73 -0.57 1.09 -1.25 -1.11 0.00 0.00 175.55 174.44 2dms s PRO 32 N -1.31 0.64 0.52 -1.71 0.04 -1.25 -5.07 135.00 126.86 2dms s PRO 32 Ca 0.25 0.60 0.09 0.00 0.04 0.00 0.00 61.00 61.98 2dms s PRO 32 Cb -0.05 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.79 2dms s PRO 32 CO -0.16 -2.61 0.70 0.34 0.04 0.00 0.00 177.00 175.31 2dms s ASP 33 N -3.44 5.24 0.31 6.66 2.15 -1.26 -4.89 116.67 121.44 2dms s ASP 33 Ca 0.65 -0.74 0.02 0.00 0.43 0.00 0.00 52.55 52.91 2dms s ASP 33 Cb -0.18 0.00 0.59 0.00 -0.30 0.00 0.00 42.92 43.03 2dms s ASP 33 CO 0.57 -1.14 1.89 -0.29 -0.17 0.00 0.00 175.17 176.03 2dms h ILE 34 N 0.36 1.00 -0.40 4.11 6.09 -1.98 0.18 117.51 126.86 2dms h ILE 34 Ca -0.33 -0.33 -0.01 0.00 -1.37 0.00 0.00 64.86 62.82 2dms h ILE 34 Cb 1.29 -0.04 -0.02 0.00 0.47 0.00 0.00 36.82 38.52 2dms h ILE 34 CO 0.43 0.17 0.20 -0.26 -3.07 0.00 0.00 178.15 175.63 2dms h PHE 35 N 0.95 0.57 0.16 2.19 0.04 -1.99 0.41 116.94 119.29 2dms h PHE 35 Ca 0.41 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.15 2dms h PHE 35 Cb 0.34 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.31 2dms h PHE 35 CO -0.00 0.47 -0.08 0.52 -0.60 0.00 0.00 178.31 178.62 2dms h MET 36 N 0.52 -0.21 -0.73 1.51 2.86 -1.73 -2.42 114.93 114.73 2dms h MET 36 Ca 0.14 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.88 2dms h MET 36 Cb 0.10 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.74 2dms h MET 36 CO -0.02 0.12 0.40 0.00 1.06 0.00 0.00 176.91 178.47 2dms h ARG 37 N -0.57 0.67 0.17 1.72 3.08 -0.96 -2.28 114.38 116.22 2dms h ARG 37 Ca -0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2dms h ARG 37 Cb 0.43 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2dms h ARG 37 CO 0.04 0.44 -0.17 0.93 -1.07 0.00 0.00 179.97 180.14 2dms h GLU 38 N 0.69 -0.35 0.05 0.04 5.08 -0.89 -0.57 114.58 118.63 2dms h GLU 38 Ca 0.35 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.74 2dms h GLU 38 Cb 0.31 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2dms h GLU 38 CO -0.23 -0.24 -0.37 1.49 -1.00 0.00 0.00 179.01 178.66 2dms h GLU 39 N -0.37 -0.48 -0.02 2.33 4.22 -0.97 -1.00 114.58 118.29 2dms h GLU 39 Ca 0.00 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.50 2dms h GLU 39 Cb 0.35 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 2dms h GLU 39 CO -0.04 -0.32 -0.51 0.28 -2.18 0.00 0.00 179.01 176.24 2dms h VAL 40 N -0.50 0.00 -0.95 0.32 2.07 -1.39 0.55 116.25 116.35 2dms h VAL 40 Ca 0.00 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.80 2dms h VAL 40 Cb 0.51 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2dms h VAL 40 CO -0.22 0.00 0.90 0.00 0.02 0.00 0.00 177.57 178.27 2dms h ALA 41 N -0.46 2.81 0.00 1.67 0.00 -0.93 1.36 119.26 123.70 2dms h ALA 41 Ca 0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2dms h ALA 41 Cb 0.68 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2dms h ALA 41 CO -0.35 -1.39 -1.57 1.28 0.00 0.00 0.00 179.25 177.22 2dms n LEU 42 N -3.68 0.64 -0.05 0.00 4.77 0.50 -0.52 117.00 118.66 2dms n LEU 42 Ca 0.20 0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 56.45 2dms n LEU 42 Cb 1.21 0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 42.40 2dms n LEU 42 CO 0.31 0.14 -0.06 0.50 -1.33 0.00 0.00 177.39 176.94 2dms h LYS 43 N 0.00 0.00 0.00 3.23 3.64 0.65 -3.32 116.57 120.77 2dms h LYS 43 Ca -0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2dms h LYS 43 Cb 1.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 2dms h LYS 43 CO 0.03 0.02 0.00 0.44 -2.27 0.00 0.00 179.45 177.67 2dms n ILE 44 N -4.74 0.32 -3.15 2.00 -5.35 0.97 -4.85 119.36 104.55 2dms n ILE 44 Ca -0.02 0.08 -0.14 0.00 -0.27 0.00 0.00 62.75 62.40 2dms n ILE 44 Cb 0.06 -0.89 0.07 0.00 -1.74 0.00 0.00 39.64 37.15 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 -1.13 -3.26 -4.06 7.28 4.13 -1.23 -4.77 115.26 112.22 2dms n ASN 45 Ca 0.08 -0.55 -0.09 0.00 1.68 0.00 0.00 54.58 55.69 2dms n ASN 45 Cb 0.07 -4.48 -0.11 0.00 -1.54 0.00 0.00 39.78 33.72 2dms n ASN 45 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2dms s LEU 46 N -5.52 2.37 0.16 3.41 1.43 0.32 -5.02 118.68 115.83 2dms s LEU 46 Ca 0.12 -0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 52.16 2dms s LEU 46 Cb -0.02 0.05 -0.08 0.00 0.03 0.00 0.00 46.19 46.17 2dms s LEU 46 CO 0.63 -0.41 1.33 -2.16 0.23 0.00 0.00 176.35 175.97 2dms s PRO 47 N -2.69 4.37 0.55 1.29 0.04 -1.26 -4.24 135.00 133.06 2dms s PRO 47 Ca -0.03 2.04 0.50 0.00 0.04 0.00 0.00 61.00 63.56 2dms s PRO 47 Cb -0.02 -3.22 1.74 0.00 0.04 0.00 0.00 34.50 33.04 2dms s PRO 47 CO -0.04 -0.32 1.57 -1.91 0.04 0.00 0.00 177.00 176.34 2dms n GLU 48 N 3.16 -0.00 0.41 4.56 0.00 -1.26 0.05 120.64 127.56 2dms n GLU 48 Ca 0.08 1.09 -0.18 0.00 0.00 0.00 0.00 57.16 58.16 2dms n GLU 48 Cb 0.43 -2.51 -0.09 0.00 0.00 0.00 0.00 31.44 29.27 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 -0.88 -1.00 4.31 0.02 -1.98 -1.19 113.55 112.84 2dms h SER 49 Ca 0.95 0.01 0.23 0.00 -0.84 0.00 0.00 61.79 62.14 2dms h SER 49 Cb 3.77 0.23 -0.10 0.00 0.14 0.00 0.00 62.40 66.44 2dms h SER 49 CO -0.03 -0.57 0.63 0.03 -1.14 0.00 0.00 176.83 175.75 2dms h ARG 50 N -1.13 0.53 0.31 3.45 2.47 -0.75 0.44 114.38 119.69 2dms h ARG 50 Ca -0.11 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 2dms h ARG 50 Cb 0.81 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 2dms h ARG 50 CO 0.17 0.35 -0.15 0.28 0.56 0.00 0.00 179.97 181.18 2dms h VAL 51 N 0.54 0.70 -0.47 2.04 2.07 -1.30 0.15 116.25 119.97 2dms h VAL 51 Ca 0.57 -0.53 0.06 0.00 0.82 0.00 0.00 66.70 67.62 2dms h VAL 51 Cb 1.20 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 2dms h VAL 51 CO -0.32 0.10 0.19 -0.61 0.02 0.00 0.00 177.57 176.95 2dms h GLN 52 N -0.72 0.37 -0.03 1.57 4.15 -0.18 -2.71 115.11 117.56 2dms h GLN 52 Ca -0.04 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 2dms h GLN 52 Cb 0.49 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 2dms h GLN 52 CO 0.07 0.25 0.01 0.28 -1.93 0.00 0.00 178.83 177.50 2dms h VAL 53 N 0.38 1.20 -1.25 2.39 2.07 -0.96 -2.26 116.25 117.82 2dms h VAL 53 Ca 0.22 -0.59 0.36 0.00 0.82 0.00 0.00 66.70 67.51 2dms h VAL 53 Cb 0.20 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 2dms h VAL 53 CO -0.20 0.16 1.02 -0.25 0.02 0.00 0.00 177.57 178.32 2dms h TRP 54 N -0.19 0.00 0.00 1.57 7.01 -0.39 0.29 115.95 124.24 2dms h TRP 54 Ca 0.01 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 60.89 2dms h TRP 54 Cb 0.25 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.29 2dms h TRP 54 CO 0.01 0.00 -0.67 0.74 -2.79 0.00 0.00 178.44 175.73 2dms h PHE 55 N 0.00 0.00 -0.12 2.65 -1.00 -1.25 -3.06 116.94 114.16 2dms h PHE 55 Ca 0.59 0.00 0.03 0.00 2.81 0.00 0.00 57.97 61.41 2dms h PHE 55 Cb 2.63 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 42.19 2dms h PHE 55 CO 0.00 1.08 0.14 1.57 -1.61 0.00 0.00 178.31 179.49 2dms h LYS 56 N -1.00 0.00 0.22 1.51 2.10 -0.32 0.35 116.57 119.42 2dms h LYS 56 Ca -0.17 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.18 2dms h LYS 56 Cb 1.04 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.40 2dms h LYS 56 CO -0.10 0.00 -1.36 -0.91 -2.00 0.00 0.00 179.45 175.08 2dms h ASN 57 N 0.00 0.72 -0.17 7.07 4.21 -0.67 -3.25 115.58 123.48 2dms h ASN 57 Ca 0.06 -0.93 -0.05 0.00 1.21 0.00 0.00 56.30 56.59 2dms h ASN 57 Cb 0.34 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.30 2dms h ASN 57 CO -0.00 1.65 -0.08 0.03 -1.29 0.00 0.00 177.43 177.73 2dms h ARG 58 N 0.00 0.36 -0.72 0.81 2.47 -1.16 -3.14 114.38 113.00 2dms h ARG 58 Ca -0.24 -0.16 0.15 0.00 -1.26 0.00 0.00 59.98 58.47 2dms h ARG 58 Cb 2.03 -0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 30.23 2dms h ARG 58 CO 0.23 0.67 0.20 0.00 0.56 0.00 0.00 179.97 181.63 2dms h ARG 59 N 0.04 0.30 -0.39 0.04 3.08 -1.12 -0.42 114.38 115.91 2dms h ARG 59 Ca 0.04 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.12 2dms h ARG 59 Cb 0.56 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.50 2dms h ARG 59 CO 0.03 0.20 0.10 0.00 -1.07 0.00 0.00 179.97 179.23 2dms h ALA 60 N 1.58 0.44 -0.78 0.04 0.00 -1.58 -0.04 119.26 118.92 2dms h ALA 60 Ca 0.40 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2dms h ALA 60 Cb 0.66 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2dms h ALA 60 CO -0.47 -0.30 0.39 -0.22 0.00 0.00 0.00 179.25 178.65 2dms h LYS 61 N 0.24 1.11 0.12 0.00 3.64 -1.10 -0.49 116.57 120.08 2dms h LYS 61 Ca 0.18 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2dms h LYS 61 Cb 0.20 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2dms h LYS 61 CO -0.22 0.85 -0.06 0.00 -2.27 0.00 0.00 179.45 177.75 2dms h ARG 63 N -0.25 0.00 -0.57 0.00 2.43 -0.88 -2.88 114.38 112.23 2dms h ARG 63 Ca -0.02 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2dms h ARG 63 Cb 0.20 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 2dms h ARG 63 CO 0.03 0.02 0.34 0.37 -1.51 0.00 0.00 179.97 179.21 2dms h GLN 64 N -0.01 0.65 -6.37 0.20 5.75 -1.04 -3.44 115.11 110.85 2dms h GLN 64 Ca 0.00 -0.04 -0.61 0.00 -0.15 0.00 0.00 58.65 57.85 2dms h GLN 64 Cb 0.01 -0.15 0.14 0.00 1.07 0.00 0.00 27.48 28.55 2dms h GLN 64 CO -0.00 0.43 -0.26 0.94 -2.65 0.00 0.00 178.83 177.29 2dms n GLN 65 N -4.77 0.74 -1.36 1.69 -0.06 0.30 -4.78 117.38 109.14 2dms n GLN 65 Ca 0.05 0.27 -0.45 0.00 -2.00 0.00 0.00 57.00 54.87 2dms n GLN 65 Cb 0.09 -1.59 -0.02 0.00 -4.06 0.00 0.00 30.24 24.66 2dms n GLN 65 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2dms n GLN 66 N 0.56 0.04 -4.29 3.69 6.02 -1.26 -4.98 117.38 117.16 2dms n GLN 66 Ca 0.11 0.02 -0.18 0.00 -0.01 0.00 0.00 57.00 56.94 2dms n GLN 66 Cb 0.38 -1.03 -0.15 0.00 1.02 0.00 0.00 30.24 30.45 2dms n GLN 66 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2dms s GLN 67 N -1.03 0.66 -0.89 -1.09 0.00 -1.26 -5.06 119.66 110.99 2dms s GLN 67 Ca 0.62 -0.27 -0.25 0.00 -0.00 0.00 0.00 55.36 55.46 2dms s GLN 67 Cb -0.78 -0.64 0.03 0.00 0.00 0.00 0.00 33.01 31.63 2dms s GLN 67 CO 0.59 0.15 1.46 -1.14 0.00 0.00 0.00 175.29 176.35 2dms s GLN 68 N -0.09 3.31 0.46 9.60 0.74 -1.26 -4.95 119.66 127.46 2dms s GLN 68 Ca 0.02 -0.65 0.03 0.00 0.05 0.00 0.00 55.36 54.80 2dms s GLN 68 Cb -0.04 -4.87 -0.02 0.00 1.10 0.00 0.00 33.01 29.17 2dms s GLN 68 CO -0.00 -2.32 0.05 -0.65 -0.55 0.00 0.00 175.29 171.82 2dms s GLN 69 N 5.53 2.06 0.22 1.67 -1.52 -1.26 -5.04 119.66 121.32 2dms s GLN 69 Ca 0.45 -2.28 -0.09 0.00 -1.95 0.00 0.00 55.36 51.50 2dms s GLN 69 Cb -0.04 -1.18 0.34 0.00 -0.22 0.00 0.00 33.01 31.91 2dms s GLN 69 CO 0.01 -0.37 1.68 1.96 -0.25 0.00 0.00 175.29 178.32 2dms h GLN 70 N 1.58 0.18 -3.70 2.91 7.50 -2.05 -3.46 115.11 118.07 2dms h GLN 70 Ca -0.41 -0.01 -0.21 0.00 0.50 0.00 0.00 58.65 58.52 2dms h GLN 70 Cb 1.29 -0.04 0.08 0.00 0.05 0.00 0.00 27.48 28.86 2dms h GLN 70 CO 0.68 0.12 -0.38 -1.71 -1.50 0.00 0.00 178.83 176.05 2dms n ASN 71 N -5.21 -4.08 -2.75 1.46 2.85 -1.26 -4.96 115.26 101.30 2dms n ASN 71 Ca 0.10 -0.30 -0.03 0.00 -0.11 0.00 0.00 54.58 54.24 2dms n ASN 71 Cb 0.38 -2.99 0.07 0.00 1.24 0.00 0.00 39.78 38.48 2dms n ASN 71 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dms n GLY 72 N -1.29 1.73 0.11 8.20 0.00 -1.26 -5.12 105.19 107.56 2dms n GLY 72 Ca -0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.65 3.37 3.55 -0.02 0.00 -1.26 -5.08 105.19 105.11 2dms n GLY 73 Ca 0.02 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.03 2.27 0.04 1.61 -0.21 -1.26 -4.80 119.66 115.28 2dms s GLN 74 Ca 0.01 0.75 -0.18 0.00 0.02 0.00 0.00 55.36 55.96 2dms s GLN 74 Cb -0.00 -4.61 -0.17 0.00 1.00 0.00 0.00 33.01 29.22 2dms s GLN 74 CO 0.01 -3.28 1.24 0.77 -2.12 0.00 0.00 175.29 171.91 2dms h SER 75 N 15.81 0.58 -2.71 5.90 0.02 -2.01 -3.50 113.55 127.65 2dms h SER 75 Ca -0.16 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 2dms h SER 75 Cb 1.16 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2dms h SER 75 CO 1.17 1.10 0.00 0.61 -1.14 0.00 0.00 176.83 178.57 2dms n GLY 76 N 0.65 4.36 3.62 -3.77 0.00 -1.26 -5.14 105.19 103.65 2dms n GLY 76 Ca -0.08 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 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 -4.38 -0.69 0.25 1.61 0.04 -1.26 -5.08 135.00 125.48 2dms s PRO 77 Ca 0.00 0.12 0.10 0.00 0.04 0.00 0.00 61.00 61.26 2dms s PRO 77 Cb 0.00 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.85 2dms s PRO 77 CO 0.00 -3.40 -0.16 -1.12 0.04 0.00 0.00 177.00 172.36 2dms s SER 78 N -3.74 3.11 -0.13 6.66 0.01 -1.26 -5.08 113.70 113.27 2dms s SER 78 Ca 0.69 -1.04 -0.08 0.00 1.31 0.00 0.00 55.95 56.83 2dms s SER 78 Cb -0.13 -0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.83 2dms s SER 78 CO 0.57 -0.08 -0.04 -1.28 0.41 0.00 0.00 173.24 172.82 2dms h SER 79 N 2.39 0.00 0.00 2.44 0.87 -2.08 -3.58 113.55 113.59 2dms h SER 79 Ca -0.39 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2dms h SER 79 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2dms h SER 79 CO 0.62 0.74 0.00 0.61 -0.53 0.00 0.00 176.83 178.27