#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dms n SER 2 N 0.00 0.82 -4.30 1.61 7.64 -1.26 -4.88 113.62 113.25 2dms n SER 2 Ca 0.00 0.13 -0.29 0.00 1.01 0.00 0.00 58.87 59.72 2dms n SER 2 Cb 0.00 -1.06 0.22 0.00 -1.01 0.00 0.00 64.21 62.36 2dms n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dms s SER 3 N 9.13 1.52 -0.32 6.43 1.04 -1.26 -5.05 113.70 125.19 2dms s SER 3 Ca 1.26 1.02 -0.06 0.00 0.48 0.00 0.00 55.95 58.65 2dms s SER 3 Cb -1.07 -1.56 0.24 0.00 0.10 0.00 0.00 66.02 63.73 2dms s SER 3 CO 0.47 -3.79 1.18 0.61 0.98 0.00 0.00 173.24 172.69 2dms n GLY 4 N -0.59 -1.82 2.75 7.32 0.00 -1.26 -4.98 105.19 106.62 2dms n GLY 4 Ca 0.08 1.24 -0.14 0.00 0.00 0.00 0.00 46.02 47.19 2dms n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dms n SER 5 N 2.14 -4.09 -3.68 1.61 2.88 -1.26 -5.03 113.62 106.19 2dms n SER 5 Ca 0.07 -0.35 -0.09 0.00 -1.33 0.00 0.00 58.87 57.16 2dms n SER 5 Cb 0.68 -3.38 -0.10 0.00 -0.75 0.00 0.00 64.21 60.66 2dms n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dms s SER 6 N -3.37 -0.66 0.00 -3.46 0.01 -1.26 -5.14 113.70 99.83 2dms s SER 6 Ca 0.28 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.63 2dms s SER 6 Cb -0.12 0.97 0.00 0.00 0.21 0.00 0.00 66.02 67.08 2dms s SER 6 CO 0.46 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2dms n GLY 7 N 4.26 0.18 3.23 3.44 0.00 -1.26 -4.98 105.19 110.06 2dms n GLY 7 Ca -0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 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 1.90 1.00 0.81 1.61 1.70 -1.26 -5.13 118.95 119.58 2dms s ARG 8 Ca 0.00 -1.30 -0.11 0.00 -0.47 0.00 0.00 55.73 53.85 2dms s ARG 8 Cb 0.00 -0.73 0.10 0.00 -0.57 0.00 0.00 34.95 33.74 2dms s ARG 8 CO 0.00 0.12 1.16 -0.98 -1.08 0.00 0.00 175.30 174.52 2dms s ARG 9 N -3.08 1.78 0.09 3.89 1.70 -1.26 -5.09 118.95 116.98 2dms s ARG 9 Ca 0.11 -0.11 0.04 0.00 -0.47 0.00 0.00 55.73 55.30 2dms s ARG 9 Cb -0.02 -2.00 -0.04 0.00 -0.57 0.00 0.00 34.95 32.32 2dms s ARG 9 CO 0.02 -1.65 0.03 -1.21 -1.08 0.00 0.00 175.30 171.40 2dms s GLU 10 N -5.54 2.66 0.23 3.89 2.02 -1.26 -5.11 118.70 115.60 2dms s GLU 10 Ca 0.64 -0.79 -0.24 0.00 0.02 0.00 0.00 54.97 54.60 2dms s GLU 10 Cb -0.09 -2.61 -0.09 0.00 0.10 0.00 0.00 34.13 31.44 2dms s GLU 10 CO 0.48 0.55 0.82 1.03 0.02 0.00 0.00 175.26 178.16 2dms s ARG 11 N -2.33 4.49 -0.59 1.61 0.52 -1.26 -5.02 118.95 116.37 2dms s ARG 11 Ca 0.27 1.14 -0.20 0.00 -0.52 0.00 0.00 55.73 56.42 2dms s ARG 11 Cb -0.12 -3.02 0.09 0.00 0.52 0.00 0.00 34.95 32.42 2dms s ARG 11 CO 0.20 0.43 0.74 0.95 0.02 0.00 0.00 175.30 177.64 2dms s THR 12 N -1.40 4.73 -0.11 0.02 -4.23 -1.26 -5.01 115.64 108.39 2dms s THR 12 Ca 0.42 -0.79 -0.01 0.00 -1.18 0.00 0.00 61.69 60.13 2dms s THR 12 Cb -0.20 -4.50 0.03 0.00 1.34 0.00 0.00 72.50 69.17 2dms s THR 12 CO 0.24 -1.14 -0.01 0.42 -0.54 0.00 0.00 174.62 173.59 2dms s THR 13 N 2.95 0.58 0.00 3.99 -4.23 -1.26 -5.13 115.64 112.53 2dms s THR 13 Ca 0.14 -0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 2dms s THR 13 Cb -0.22 -0.78 -0.02 0.00 1.34 0.00 0.00 72.50 72.83 2dms s THR 13 CO 0.08 0.18 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.80 2dms s PHE 14 N 1.88 1.62 0.30 3.99 0.40 -1.26 -5.13 117.98 119.78 2dms s PHE 14 Ca 0.04 -0.32 0.06 0.00 -0.60 0.00 0.00 56.93 56.10 2dms s PHE 14 Cb -0.13 -1.02 -0.02 0.00 0.51 0.00 0.00 43.02 42.36 2dms s PHE 14 CO -0.06 0.01 0.43 0.95 0.70 0.00 0.00 175.22 177.24 2dms s THR 15 N -0.55 4.60 0.29 0.64 -4.23 -1.26 -4.90 115.64 110.23 2dms s THR 15 Ca 0.07 -0.96 0.03 0.00 -1.18 0.00 0.00 61.69 59.64 2dms s THR 15 Cb -0.07 -3.61 0.28 0.00 1.34 0.00 0.00 72.50 70.44 2dms s THR 15 CO 0.00 -0.25 1.69 -0.09 -0.54 0.00 0.00 174.62 175.43 2dms h ARG 16 N 0.99 0.36 0.71 3.99 1.12 -2.01 0.20 114.38 119.75 2dms h ARG 16 Ca -0.49 -0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 58.33 2dms h ARG 16 Cb 1.24 -0.08 0.01 0.00 -0.01 0.00 0.00 29.97 31.13 2dms h ARG 16 CO 0.57 0.24 -0.34 0.00 -3.11 0.00 0.00 179.97 177.32 2dms h ALA 17 N 1.71 -0.96 -0.79 2.80 0.00 -1.99 0.14 119.26 120.17 2dms h ALA 17 Ca 0.54 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.36 2dms h ALA 17 Cb 1.03 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 2dms h ALA 17 CO -0.54 -0.95 0.38 1.96 0.00 0.00 0.00 179.25 180.10 2dms h GLN 18 N -1.13 0.56 0.63 0.00 4.20 -1.67 -2.66 115.11 115.04 2dms h GLN 18 Ca -0.10 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 2dms h GLN 18 Cb 0.76 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.42 2dms h GLN 18 CO 0.16 0.37 -0.30 -0.07 -0.67 0.00 0.00 178.83 178.32 2dms h LEU 19 N 0.58 -0.71 -1.11 1.46 3.38 -0.57 -1.92 115.31 116.42 2dms h LEU 19 Ca 0.42 -0.02 0.39 0.00 0.09 0.00 0.00 57.88 58.76 2dms h LEU 19 Cb 0.56 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 2dms h LEU 19 CO -0.34 -0.36 0.70 -0.67 0.09 0.00 0.00 178.44 177.86 2dms n ASP 20 N -5.36 0.18 -0.04 -0.43 -0.08 0.48 0.11 116.55 111.40 2dms n ASP 20 Ca -0.12 1.16 -0.16 0.00 -1.51 0.00 0.00 54.79 54.17 2dms n ASP 20 Cb 0.36 -0.57 -0.13 0.00 2.34 0.00 0.00 41.12 43.11 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 1.70 -0.62 5.18 2.07 -1.35 -2.75 116.25 120.48 2dms h VAL 21 Ca 0.72 -2.39 0.08 0.00 0.82 0.00 0.00 66.70 65.93 2dms h VAL 21 Cb 2.30 3.31 -0.06 0.00 -1.52 0.00 0.00 31.29 35.32 2dms h VAL 21 CO -0.41 0.63 0.28 -0.07 0.02 0.00 0.00 177.57 178.02 2dms h LEU 22 N -0.85 0.36 -0.55 2.57 3.38 0.15 -1.51 115.31 118.86 2dms h LEU 22 Ca -0.05 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2dms h LEU 22 Cb 1.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2dms h LEU 22 CO 0.03 0.22 -0.10 -0.33 0.09 0.00 0.00 178.44 178.35 2dms h GLU 23 N 0.51 1.04 -0.87 1.13 5.08 -0.75 -2.15 114.58 118.57 2dms h GLU 23 Ca 0.30 -0.38 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2dms h GLU 23 Cb 0.30 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 2dms h GLU 23 CO -0.25 1.07 0.56 0.00 -1.00 0.00 0.00 179.01 179.40 2dms h ALA 24 N 0.93 1.54 0.00 3.43 0.00 -1.02 -0.04 119.26 124.10 2dms h ALA 24 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2dms h ALA 24 Cb 0.67 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2dms h ALA 24 CO 0.05 0.33 -0.02 1.25 0.00 0.00 0.00 179.25 180.85 2dms h LEU 25 N 0.98 0.00 0.00 0.00 5.85 -1.12 -3.15 115.31 117.87 2dms h LEU 25 Ca 0.37 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.03 2dms h LEU 25 Cb 0.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2dms h LEU 25 CO -0.13 0.02 -0.50 0.15 -0.34 0.00 0.00 178.44 177.64 2dms h PHE 26 N 0.00 0.00 0.13 1.25 3.04 -0.40 -2.35 116.94 118.61 2dms h PHE 26 Ca -0.00 0.00 -0.28 0.00 3.98 0.00 0.00 57.97 61.67 2dms h PHE 26 Cb 0.99 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.50 2dms h PHE 26 CO 0.00 0.25 -1.27 0.00 -2.02 0.00 0.00 178.31 175.27 2dms h ALA 27 N 1.75 0.11 0.06 2.41 0.00 -1.09 -3.37 119.26 119.14 2dms h ALA 27 Ca -0.02 -0.90 -0.11 0.00 0.00 0.00 0.00 54.91 53.88 2dms h ALA 27 Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2dms h ALA 27 CO 0.03 0.98 -0.52 1.57 0.00 0.00 0.00 179.25 181.31 2dms h LYS 28 N 0.07 0.13 -3.72 0.00 2.10 -1.63 -3.46 116.57 110.06 2dms h LYS 28 Ca -0.14 -0.22 -0.34 0.00 -2.00 0.00 0.00 60.65 57.95 2dms h LYS 28 Cb 1.98 0.08 -0.34 0.00 -0.90 0.00 0.00 32.23 33.05 2dms h LYS 28 CO 0.20 1.10 -0.75 -0.08 -2.00 0.00 0.00 179.45 177.93 2dms s THR 29 N -2.33 0.17 0.14 0.07 -1.32 -0.88 -5.03 115.64 106.46 2dms s THR 29 Ca -0.18 0.09 0.06 0.00 -1.21 0.00 0.00 61.69 60.45 2dms s THR 29 Cb -0.00 -0.27 -0.19 0.00 -1.51 0.00 0.00 72.50 70.54 2dms s THR 29 CO 0.74 0.14 1.32 0.03 -2.21 0.00 0.00 174.62 174.64 2dms h ARG 30 N 7.24 0.04 -2.97 7.08 2.47 -1.79 -3.35 114.38 123.10 2dms h ARG 30 Ca -0.43 -0.05 -0.62 0.00 -1.26 0.00 0.00 59.98 57.62 2dms h ARG 30 Cb 1.13 0.02 -0.41 0.00 -1.65 0.00 0.00 29.97 29.06 2dms h ARG 30 CO 0.48 0.96 -0.65 0.71 0.56 0.00 0.00 179.97 182.03 2dms s TYR 31 N -2.87 3.08 0.24 3.04 1.51 -1.26 -5.01 117.35 116.08 2dms s TYR 31 Ca 0.00 -3.13 -0.30 0.00 -1.01 0.00 0.00 57.07 52.63 2dms s TYR 31 Cb 0.10 -2.38 -0.09 0.00 -0.11 0.00 0.00 41.96 39.48 2dms s TYR 31 CO 0.82 -0.61 1.28 -1.25 -1.11 0.00 0.00 175.55 174.68 2dms s PRO 32 N -1.10 4.42 1.18 -1.71 0.04 -1.26 -5.02 135.00 131.54 2dms s PRO 32 Ca 0.26 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 2dms s PRO 32 Cb -0.04 -3.17 0.27 0.00 0.04 0.00 0.00 34.50 31.60 2dms s PRO 32 CO -0.16 -0.17 1.06 0.16 0.04 0.00 0.00 177.00 177.93 2dms s ASP 33 N -0.00 1.06 0.30 6.66 -4.77 -1.26 -4.71 116.67 113.95 2dms s ASP 33 Ca 0.53 0.94 0.00 0.00 -3.30 0.00 0.00 52.55 50.73 2dms s ASP 33 Cb -0.36 -1.41 0.52 0.00 -1.09 0.00 0.00 42.92 40.57 2dms s ASP 33 CO 0.42 -4.07 1.92 -0.29 0.70 0.00 0.00 175.17 173.84 2dms h ILE 34 N -2.54 1.08 0.01 2.11 -0.00 -1.99 -2.11 117.51 114.06 2dms h ILE 34 Ca -0.50 -0.36 0.01 0.00 -0.00 0.00 0.00 64.86 64.01 2dms h ILE 34 Cb 1.32 -0.05 -0.01 0.00 -0.00 0.00 0.00 36.82 38.08 2dms h ILE 34 CO 0.43 0.19 -0.07 -0.26 -0.00 0.00 0.00 178.15 178.44 2dms h PHE 35 N 1.04 -0.17 -0.07 2.19 0.04 -2.00 -1.17 116.94 116.80 2dms h PHE 35 Ca 0.38 0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.18 2dms h PHE 35 Cb 0.17 0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 2dms h PHE 35 CO -0.00 -0.11 -0.04 0.52 -0.60 0.00 0.00 178.31 178.08 2dms h MET 36 N -0.12 -0.04 -0.85 1.51 2.86 -1.78 -2.17 114.93 114.33 2dms h MET 36 Ca 0.03 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.79 2dms h MET 36 Cb 0.15 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.74 2dms h MET 36 CO -0.07 -0.03 0.47 0.00 1.06 0.00 0.00 176.91 178.35 2dms h ARG 37 N -0.05 0.72 0.43 1.72 3.08 -1.20 -2.30 114.38 116.78 2dms h ARG 37 Ca 0.05 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2dms h ARG 37 Cb 0.11 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2dms h ARG 37 CO -0.10 0.48 -0.27 0.93 -1.07 0.00 0.00 179.97 179.94 2dms h GLU 38 N 0.74 -0.64 -0.16 0.04 5.08 -0.69 0.13 114.58 119.08 2dms h GLU 38 Ca 0.43 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.87 2dms h GLU 38 Cb 0.49 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 2dms h GLU 38 CO -0.29 -0.43 -0.55 1.49 -1.00 0.00 0.00 179.01 178.23 2dms h GLU 39 N -0.67 -0.55 0.59 2.33 4.57 -0.89 0.90 114.58 120.86 2dms h GLU 39 Ca -0.05 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2dms h GLU 39 Cb 0.55 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 2dms h GLU 39 CO 0.04 -0.36 -0.48 0.28 -1.18 0.00 0.00 179.01 177.31 2dms h VAL 40 N -0.57 0.04 -0.62 0.32 2.07 -1.38 0.41 116.25 116.52 2dms h VAL 40 Ca 0.04 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.74 2dms h VAL 40 Cb 0.67 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2dms h VAL 40 CO -0.45 0.00 0.74 0.00 0.02 0.00 0.00 177.57 177.88 2dms h ALA 41 N -0.89 2.40 0.00 1.67 0.00 -0.47 1.08 119.26 123.04 2dms h ALA 41 Ca -0.07 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 2dms h ALA 41 Cb 0.89 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2dms h ALA 41 CO -0.00 -1.06 -1.67 1.28 0.00 0.00 0.00 179.25 177.79 2dms n LEU 42 N -3.46 0.58 -0.05 0.00 4.77 0.29 -0.62 117.00 118.50 2dms n LEU 42 Ca 0.13 0.25 -0.01 0.00 -0.03 0.00 0.00 56.01 56.35 2dms n LEU 42 Cb 0.96 0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 42.19 2dms n LEU 42 CO 0.25 0.18 -0.06 0.50 -1.33 0.00 0.00 177.39 176.92 2dms h LYS 43 N 0.00 0.00 0.00 3.23 3.64 0.54 -3.32 116.57 120.66 2dms h LYS 43 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2dms h LYS 43 Cb 1.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 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 -4.38 0.71 -2.98 2.00 -5.35 0.76 -4.84 119.36 105.27 2dms n ILE 44 Ca -0.01 0.18 -0.12 0.00 -0.27 0.00 0.00 62.75 62.52 2dms n ILE 44 Cb 0.05 -1.04 0.06 0.00 -1.74 0.00 0.00 39.64 36.97 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 -1.24 -3.29 -4.10 7.28 5.15 -1.23 -4.84 115.26 112.98 2dms n ASN 45 Ca 0.04 -0.49 -0.10 0.00 -0.60 0.00 0.00 54.58 53.43 2dms n ASN 45 Cb 0.06 -3.99 -0.11 0.00 -0.53 0.00 0.00 39.78 35.21 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 -5.09 2.40 0.08 1.20 1.43 0.21 -5.02 118.68 113.89 2dms s LEU 46 Ca 0.13 -0.82 -0.31 0.00 -1.03 0.00 0.00 54.13 52.10 2dms s LEU 46 Cb -0.02 -0.03 -0.07 0.00 0.03 0.00 0.00 46.19 46.10 2dms s LEU 46 CO 0.55 -0.40 1.39 -2.16 0.23 0.00 0.00 176.35 175.96 2dms s PRO 47 N -2.94 4.32 0.47 1.29 0.04 -1.26 -4.26 135.00 132.66 2dms s PRO 47 Ca 0.02 2.03 0.39 0.00 0.04 0.00 0.00 61.00 63.47 2dms s PRO 47 Cb -0.00 -3.35 1.55 0.00 0.04 0.00 0.00 34.50 32.73 2dms s PRO 47 CO -0.04 -0.47 1.52 -1.91 0.04 0.00 0.00 177.00 176.15 2dms n GLU 48 N 4.38 -0.02 0.50 4.56 0.00 -1.26 -0.13 120.64 128.66 2dms n GLU 48 Ca 0.12 1.16 -0.19 0.00 0.00 0.00 0.00 57.16 58.24 2dms n GLU 48 Cb 0.43 -2.42 -0.09 0.00 0.00 0.00 0.00 31.44 29.35 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 -1.07 -0.97 4.31 0.02 -1.97 -1.94 113.55 111.93 2dms h SER 49 Ca 0.88 0.04 0.21 0.00 -0.84 0.00 0.00 61.79 62.08 2dms h SER 49 Cb 3.13 0.28 -0.11 0.00 0.14 0.00 0.00 62.40 65.83 2dms h SER 49 CO -0.28 -0.76 0.55 0.03 -1.14 0.00 0.00 176.83 175.23 2dms h ARG 50 N -1.29 0.60 0.32 3.45 2.47 -0.91 -0.56 114.38 118.47 2dms h ARG 50 Ca -0.13 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.55 2dms h ARG 50 Cb 0.97 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.15 2dms h ARG 50 CO 0.21 0.40 -0.22 0.28 0.56 0.00 0.00 179.97 181.20 2dms h VAL 51 N 0.62 0.53 -0.57 2.04 2.07 -1.26 -0.05 116.25 119.63 2dms h VAL 51 Ca 0.59 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.14 2dms h VAL 51 Cb 1.02 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2dms h VAL 51 CO -0.44 0.00 0.33 -0.61 0.02 0.00 0.00 177.57 176.87 2dms h GLN 52 N -0.54 0.61 0.75 1.57 5.75 -0.45 -3.01 115.11 119.79 2dms h GLN 52 Ca -0.03 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 2dms h GLN 52 Cb 0.46 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.87 2dms h GLN 52 CO 0.01 0.41 -0.45 0.28 -2.65 0.00 0.00 178.83 176.43 2dms h VAL 53 N 0.63 0.10 -0.87 2.39 2.07 -0.92 -2.61 116.25 117.03 2dms h VAL 53 Ca 0.24 0.00 0.31 0.00 0.82 0.00 0.00 66.70 68.07 2dms h VAL 53 Cb 0.09 0.10 -0.16 0.00 -1.52 0.00 0.00 31.29 29.79 2dms h VAL 53 CO -0.13 0.00 0.27 1.87 0.02 0.00 0.00 177.57 179.59 2dms n TRP 54 N -5.59 0.81 -0.14 1.57 -0.00 -0.05 0.18 117.44 114.22 2dms n TRP 54 Ca -0.14 1.04 -0.09 0.00 -0.00 0.00 0.00 57.50 58.31 2dms n TRP 54 Cb 0.47 -1.31 -0.00 0.00 -0.00 0.00 0.00 31.31 30.47 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 0.65 -0.08 5.87 -1.00 -1.37 0.11 116.94 121.11 2dms h PHE 55 Ca 0.64 -0.05 0.03 0.00 2.81 0.00 0.00 57.97 61.40 2dms h PHE 55 Cb 1.57 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 40.90 2dms h PHE 55 CO -0.20 0.57 -0.10 0.87 -1.61 0.00 0.00 178.31 177.84 2dms h LYS 56 N 0.54 -0.13 0.25 1.51 1.57 0.22 -1.78 116.57 118.75 2dms h LYS 56 Ca 0.14 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2dms h LYS 56 Cb 0.20 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2dms h LYS 56 CO -0.01 -0.09 -0.12 -0.91 -0.57 0.00 0.00 179.45 177.75 2dms h ASN 57 N -0.14 -0.29 -0.39 0.86 -0.26 -1.26 -3.19 115.58 110.92 2dms h ASN 57 Ca 0.07 0.01 0.03 0.00 -0.56 0.00 0.00 56.30 55.85 2dms h ASN 57 Cb 0.23 0.07 -0.05 0.00 -1.06 0.00 0.00 38.32 37.52 2dms h ASN 57 CO -0.16 -0.13 -0.23 -1.14 -1.06 0.00 0.00 177.43 174.71 2dms n ARG 58 N -3.33 -0.17 -0.33 0.81 0.00 0.36 0.13 116.66 114.12 2dms n ARG 58 Ca -0.04 0.94 0.18 0.00 -0.00 0.00 0.00 57.85 58.93 2dms n ARG 58 Cb 0.13 -1.40 0.34 0.00 0.00 0.00 0.00 32.46 31.54 2dms n ARG 58 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2dms n ARG 59 N -3.88 -0.07 -0.01 -0.14 0.63 -0.67 0.69 116.66 113.21 2dms n ARG 59 Ca 0.01 1.41 -0.12 0.00 -0.92 0.00 0.00 57.85 58.23 2dms n ARG 59 Cb 0.10 -2.30 -0.06 0.00 0.45 0.00 0.00 32.46 30.65 2dms n ARG 59 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dms h ALA 60 N 1.91 0.11 -0.68 5.13 0.00 0.10 -2.94 119.26 122.89 2dms h ALA 60 Ca 0.63 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.61 2dms h ALA 60 Cb 1.41 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.06 2dms h ALA 60 CO -0.86 -0.33 0.13 -0.22 0.00 0.00 0.00 179.25 177.97 2dms h LYS 61 N 0.01 0.23 0.09 0.00 1.63 0.12 -1.94 116.57 116.70 2dms h LYS 61 Ca 0.03 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 2dms h LYS 61 Cb 0.13 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.66 2dms h LYS 61 CO -0.00 0.15 -0.46 0.00 -3.45 0.00 0.00 179.45 175.69 2dms h ARG 63 N -0.67 0.53 -0.10 0.00 2.47 -1.28 0.65 114.38 115.98 2dms h ARG 63 Ca 0.02 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.74 2dms h ARG 63 Cb 0.70 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.90 2dms h ARG 63 CO -0.28 0.35 0.08 0.37 0.56 0.00 0.00 179.97 181.05 2dms h GLN 64 N 0.55 0.00 -6.95 0.04 4.15 -0.73 -3.46 115.11 108.71 2dms h GLN 64 Ca 0.62 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 59.45 2dms h GLN 64 Cb 1.18 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.73 2dms h GLN 64 CO -0.48 0.00 -0.97 1.04 -1.93 0.00 0.00 178.83 176.49 2dms n GLN 65 N -4.47 -1.14 -0.77 1.69 1.13 0.23 -4.89 117.38 109.16 2dms n GLN 65 Ca -0.00 0.14 -0.29 0.00 -1.94 0.00 0.00 57.00 54.91 2dms n GLN 65 Cb 0.19 -3.51 0.22 0.00 0.11 0.00 0.00 30.24 27.25 2dms n GLN 65 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2dms s GLN 66 N -7.25 -0.33 -0.18 -1.09 -0.21 -1.26 -4.84 119.66 104.50 2dms s GLN 66 Ca 0.11 0.79 -0.38 0.00 0.02 0.00 0.00 55.36 55.90 2dms s GLN 66 Cb -0.06 -1.63 -0.15 0.00 1.00 0.00 0.00 33.01 32.17 2dms s GLN 66 CO 0.98 -3.31 1.71 1.04 -2.12 0.00 0.00 175.29 173.59 2dms n GLN 67 N -4.62 1.38 -1.74 2.91 1.13 -1.26 -4.86 117.38 110.31 2dms n GLN 67 Ca 0.04 0.50 -0.41 0.00 -1.94 0.00 0.00 57.00 55.19 2dms n GLN 67 Cb 0.55 -2.22 0.00 0.00 0.11 0.00 0.00 30.24 28.68 2dms n GLN 67 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dms n GLN 68 N 5.19 2.41 -4.31 -1.09 10.64 -1.26 -5.02 117.38 123.95 2dms n GLN 68 Ca 0.24 0.85 -0.21 0.00 -1.83 0.00 0.00 57.00 56.05 2dms n GLN 68 Cb 0.17 -2.54 -0.11 0.00 -0.86 0.00 0.00 30.24 26.91 2dms n GLN 68 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 2dms s GLN 69 N -2.07 1.21 0.03 2.61 -1.52 -1.26 -5.15 119.66 113.50 2dms s GLN 69 Ca 0.55 -1.37 0.06 0.00 -1.95 0.00 0.00 55.36 52.65 2dms s GLN 69 Cb -0.51 -1.21 -0.03 0.00 -0.22 0.00 0.00 33.01 31.04 2dms s GLN 69 CO 0.62 0.24 -0.13 -1.14 -0.25 0.00 0.00 175.29 174.63 2dms s GLN 70 N -2.78 2.26 0.01 2.91 0.74 -1.26 -5.13 119.66 116.41 2dms s GLN 70 Ca 0.14 -0.88 0.07 0.00 0.05 0.00 0.00 55.36 54.73 2dms s GLN 70 Cb -0.05 -2.31 -0.02 0.00 1.10 0.00 0.00 33.01 31.72 2dms s GLN 70 CO 0.06 0.56 -0.21 0.54 -0.55 0.00 0.00 175.29 175.69 2dms s ASN 71 N -1.48 2.43 0.61 6.67 2.20 -1.26 -5.15 114.94 118.97 2dms s ASN 71 Ca 0.16 -0.44 0.08 0.00 -0.94 0.00 0.00 52.86 51.72 2dms s ASN 71 Cb -0.11 -0.24 0.10 0.00 -2.00 0.00 0.00 41.25 39.01 2dms s ASN 71 CO 0.07 0.21 0.85 -0.83 -2.94 0.00 0.00 177.10 174.45 2dms s GLY 72 N -0.81 1.71 0.00 0.45 0.00 -1.26 -5.12 107.32 102.29 2dms s GLY 72 Ca 0.08 -2.16 0.00 0.00 0.00 0.00 0.00 44.72 42.64 2dms s GLY 72 CO 0.00 -1.64 0.00 0.61 0.00 0.00 0.00 173.10 172.07 2dms n GLY 73 N -2.37 3.82 3.49 0.20 0.00 -1.26 -5.18 105.19 103.89 2dms n GLY 73 Ca 0.17 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.97 1.76 -0.60 1.61 -0.21 -1.26 -5.08 119.66 113.91 2dms s GLN 74 Ca 0.00 -1.61 -0.29 0.00 0.02 0.00 0.00 55.36 53.47 2dms s GLN 74 Cb 0.00 0.44 -0.12 0.00 1.00 0.00 0.00 33.01 34.33 2dms s GLN 74 CO 0.00 -0.72 2.45 -1.13 -2.12 0.00 0.00 175.29 173.77 2dms n SER 75 N -1.04 1.73 0.00 5.90 3.41 -1.26 -4.14 113.62 118.22 2dms n SER 75 Ca 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2dms n SER 75 Cb 0.62 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 2dms n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dms n GLY 76 N 6.24 -1.83 0.17 5.00 0.00 -1.26 -4.95 105.19 108.57 2dms n GLY 76 Ca 0.46 0.75 0.13 0.00 0.00 0.00 0.00 46.02 47.37 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 -7.29 1.61 0.13 -2.03 -3.45 132.00 120.97 2dms h PRO 77 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 2dms h PRO 77 Cb 0.00 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.26 2dms h PRO 77 CO 0.00 0.00 0.33 0.45 -0.23 0.00 0.00 178.00 178.55 2dms s SER 78 N -4.64 4.62 0.32 1.44 0.15 -1.26 -4.95 113.70 109.37 2dms s SER 78 Ca 0.03 1.87 -0.29 0.00 0.70 0.00 0.00 55.95 58.26 2dms s SER 78 Cb 0.09 -2.53 -0.12 0.00 -1.71 0.00 0.00 66.02 61.75 2dms s SER 78 CO 0.43 -1.96 1.43 -1.20 1.20 0.00 0.00 173.24 173.13 2dms n SER 79 N -3.28 3.22 0.00 5.45 7.64 -1.26 -5.06 113.62 120.32 2dms n SER 79 Ca 0.09 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.16 2dms n SER 79 Cb 0.53 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 2dms n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64