#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 -0.17 -3.95 1.61 7.64 -1.26 -4.91 113.62 112.59 2dms n SER 2 Ca 0.00 1.01 -0.30 0.00 1.01 0.00 0.00 58.87 60.59 2dms n SER 2 Cb 0.00 -0.81 -0.13 0.00 -1.01 0.00 0.00 64.21 62.26 2dms n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dms s SER 3 N -0.13 4.43 0.00 6.43 0.15 -1.26 -4.93 113.70 118.40 2dms s SER 3 Ca 0.76 -3.11 0.00 0.00 0.70 0.00 0.00 55.95 54.30 2dms s SER 3 Cb -1.07 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2dms s SER 3 CO 0.50 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.33 2dms n GLY 4 N 2.99 2.15 4.44 9.45 0.00 -1.26 -4.85 105.19 118.11 2dms n GLY 4 Ca 0.07 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 2dms n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dms n SER 5 N 4.37 -2.04 -4.96 1.61 7.64 -1.26 -4.91 113.62 114.06 2dms n SER 5 Ca 0.00 -1.18 -0.19 0.00 1.01 0.00 0.00 58.87 58.50 2dms n SER 5 Cb 0.00 -1.95 -0.01 0.00 -1.01 0.00 0.00 64.21 61.24 2dms n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dms s SER 6 N -3.35 5.87 0.00 6.43 0.01 -1.26 -5.07 113.70 116.33 2dms s SER 6 Ca 0.75 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.78 2dms s SER 6 Cb -0.43 -1.23 0.00 0.00 0.21 0.00 0.00 66.02 64.57 2dms s SER 6 CO 1.00 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.87 2dms n GLY 7 N -1.57 3.76 3.46 3.44 0.00 -1.26 -5.09 105.19 107.93 2dms n GLY 7 Ca -0.01 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 2dms n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dms s ARG 8 N -5.03 3.64 0.84 1.61 6.06 -1.26 -5.11 118.95 119.70 2dms s ARG 8 Ca 0.00 -0.52 -0.12 0.00 -2.50 0.00 0.00 55.73 52.59 2dms s ARG 8 Cb 0.00 -3.02 0.10 0.00 0.06 0.00 0.00 34.95 32.09 2dms s ARG 8 CO 0.00 0.09 1.15 1.03 -2.50 0.00 0.00 175.30 175.07 2dms s ARG 9 N 0.77 1.69 -0.17 5.12 3.00 -1.26 -5.04 118.95 123.05 2dms s ARG 9 Ca -0.00 0.27 -0.16 0.00 0.00 0.00 0.00 55.73 55.83 2dms s ARG 9 Cb -0.14 -1.90 -0.06 0.00 0.00 0.00 0.00 34.95 32.85 2dms s ARG 9 CO 0.02 -1.82 -0.31 -1.91 0.00 0.00 0.00 175.30 171.28 2dms n GLU 10 N -3.50 0.52 -3.63 3.54 2.13 -1.26 -5.07 120.64 113.36 2dms n GLU 10 Ca 0.07 0.28 -0.14 0.00 0.66 0.00 0.00 57.16 58.03 2dms n GLU 10 Cb 0.59 -1.49 -0.06 0.00 0.27 0.00 0.00 31.44 30.75 2dms n GLU 10 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2dms s ARG 11 N -2.77 0.93 -0.19 5.31 6.06 -1.26 -5.08 118.95 121.96 2dms s ARG 11 Ca -0.26 -0.19 -0.05 0.00 -2.50 0.00 0.00 55.73 52.72 2dms s ARG 11 Cb 0.04 0.42 -0.10 0.00 0.06 0.00 0.00 34.95 35.37 2dms s ARG 11 CO 0.39 -0.31 -0.21 -2.37 -2.50 0.00 0.00 175.30 170.30 2dms n THR 12 N 0.69 1.04 -3.67 4.11 5.66 -1.26 -5.01 114.28 115.84 2dms n THR 12 Ca -0.19 -0.32 -0.32 0.00 -3.05 0.00 0.00 64.05 60.17 2dms n THR 12 Cb 0.59 -1.51 -0.05 0.00 -1.55 0.00 0.00 70.33 67.81 2dms n THR 12 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2dms s THR 13 N -2.35 5.16 0.37 1.09 2.01 -1.26 -5.07 115.64 115.59 2dms s THR 13 Ca -0.26 0.07 -0.26 0.00 0.31 0.00 0.00 61.69 61.55 2dms s THR 13 Cb 0.09 -3.62 -0.09 0.00 0.01 0.00 0.00 72.50 68.88 2dms s THR 13 CO 0.37 0.06 1.13 -0.36 -0.69 0.00 0.00 174.62 175.13 2dms s PHE 14 N -1.63 3.24 0.08 4.92 0.40 -1.26 -5.04 117.98 118.68 2dms s PHE 14 Ca 0.40 1.60 -0.02 0.00 -0.60 0.00 0.00 56.93 58.32 2dms s PHE 14 Cb -0.12 -3.32 -0.05 0.00 0.51 0.00 0.00 43.02 40.04 2dms s PHE 14 CO 0.24 -1.00 0.26 -0.08 0.70 0.00 0.00 175.22 175.34 2dms s THR 15 N -1.40 5.32 0.33 0.64 -1.32 -1.26 -4.87 115.64 113.08 2dms s THR 15 Ca 0.54 -0.21 0.13 0.00 -1.21 0.00 0.00 61.69 60.94 2dms s THR 15 Cb -0.29 -3.62 0.36 0.00 -1.51 0.00 0.00 72.50 67.44 2dms s THR 15 CO 0.37 0.14 1.51 -1.14 -2.21 0.00 0.00 174.62 173.29 2dms n ARG 16 N 0.32 -0.06 -0.22 7.08 3.00 -1.26 0.18 116.66 125.69 2dms n ARG 16 Ca -0.05 1.37 -0.08 0.00 -0.00 0.00 0.00 57.85 59.09 2dms n ARG 16 Cb 0.51 -2.34 0.03 0.00 0.00 0.00 0.00 32.46 30.66 2dms n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dms h ALA 17 N 1.92 0.81 -0.24 5.13 0.00 -2.00 0.15 119.26 125.02 2dms h ALA 17 Ca 0.73 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 55.32 2dms h ALA 17 Cb 1.80 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 2dms h ALA 17 CO -0.80 0.50 -0.22 1.96 0.00 0.00 0.00 179.25 180.69 2dms h GLN 18 N 0.89 0.58 0.65 0.00 4.20 0.15 -3.20 115.11 118.38 2dms h GLN 18 Ca 0.20 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 2dms h GLN 18 Cb 0.32 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.12 2dms h GLN 18 CO -0.00 0.89 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.67 2dms h LEU 19 N 0.29 -0.74 -0.88 1.46 3.38 -0.56 -0.48 115.31 117.78 2dms h LEU 19 Ca 0.04 -0.01 0.32 0.00 0.09 0.00 0.00 57.88 58.32 2dms h LEU 19 Cb 0.77 0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.55 2dms h LEU 19 CO 0.06 -0.42 0.29 -0.67 0.09 0.00 0.00 178.44 177.79 2dms n ASP 20 N -5.41 0.14 0.03 -0.43 -0.08 0.03 -0.23 116.55 110.61 2dms n ASP 20 Ca -0.13 1.48 -0.03 0.00 -1.51 0.00 0.00 54.79 54.61 2dms n ASP 20 Cb 0.37 -0.65 -0.01 0.00 2.34 0.00 0.00 41.12 43.17 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 0.00 -0.85 5.18 2.07 -1.52 -2.70 116.25 118.44 2dms h VAL 21 Ca 0.67 -0.84 0.14 0.00 0.82 0.00 0.00 66.70 67.49 2dms h VAL 21 Cb 1.64 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.26 2dms h VAL 21 CO -0.74 0.00 -0.34 -0.07 0.02 0.00 0.00 177.57 176.44 2dms h LEU 22 N -1.03 -1.22 -0.57 2.57 3.38 0.60 0.30 115.31 119.35 2dms h LEU 22 Ca -0.02 0.28 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2dms h LEU 22 Cb 0.15 0.66 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2dms h LEU 22 CO 0.03 -0.29 0.35 -0.33 0.09 0.00 0.00 178.44 178.29 2dms h GLU 23 N -0.05 0.76 -0.98 1.13 5.08 -0.75 -1.41 114.58 118.36 2dms h GLU 23 Ca 0.33 -0.06 0.22 0.00 -1.00 0.00 0.00 59.36 58.84 2dms h GLU 23 Cb 0.59 -0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.59 2dms h GLU 23 CO -0.88 0.54 0.62 0.00 -1.00 0.00 0.00 179.01 178.30 2dms h ALA 24 N 1.18 2.00 0.00 3.43 0.00 -0.09 0.45 119.26 126.22 2dms h ALA 24 Ca 0.20 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 2dms h ALA 24 Cb -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2dms h ALA 24 CO -0.04 -0.36 -0.89 1.25 0.00 0.00 0.00 179.25 179.21 2dms h LEU 25 N 0.55 0.00 -0.22 0.00 5.85 -0.71 -3.14 115.31 117.64 2dms h LEU 25 Ca 0.55 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.22 2dms h LEU 25 Cb 1.16 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2dms h LEU 25 CO -0.30 0.75 -0.26 0.15 -0.34 0.00 0.00 178.44 178.44 2dms h PHE 26 N 0.00 0.00 0.00 1.25 3.57 0.52 -1.07 116.94 121.21 2dms h PHE 26 Ca -0.05 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.24 2dms h PHE 26 Cb 1.61 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.32 2dms h PHE 26 CO 0.00 0.26 -1.09 0.00 -2.23 0.00 0.00 178.31 175.25 2dms h ALA 27 N 1.74 0.42 0.10 2.41 0.00 -0.32 -3.33 119.26 120.28 2dms h ALA 27 Ca -0.00 -0.97 -0.30 0.00 0.00 0.00 0.00 54.91 53.63 2dms h ALA 27 Cb 1.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2dms h ALA 27 CO 0.03 1.28 -1.58 1.57 0.00 0.00 0.00 179.25 180.55 2dms h LYS 28 N 0.00 0.21 -2.52 0.00 2.10 -1.54 -3.46 116.57 111.36 2dms h LYS 28 Ca -0.05 -0.36 -0.23 0.00 -2.00 0.00 0.00 60.65 58.01 2dms h LYS 28 Cb 1.79 0.13 -0.33 0.00 -0.90 0.00 0.00 32.23 32.93 2dms h LYS 28 CO 0.12 1.17 -0.55 -0.08 -2.00 0.00 0.00 179.45 178.12 2dms s THR 29 N -2.49 -0.43 0.37 0.07 -1.32 -0.41 -5.02 115.64 106.42 2dms s THR 29 Ca -0.22 0.06 0.12 0.00 -1.21 0.00 0.00 61.69 60.44 2dms s THR 29 Cb 0.05 -0.62 0.09 0.00 -1.51 0.00 0.00 72.50 70.52 2dms s THR 29 CO 0.74 -0.05 1.83 0.03 -2.21 0.00 0.00 174.62 174.96 2dms h ARG 30 N 8.27 0.04 -3.13 7.08 3.08 -1.76 -3.34 114.38 124.62 2dms h ARG 30 Ca -0.16 -0.01 -0.63 0.00 0.07 0.00 0.00 59.98 59.24 2dms h ARG 30 Cb 1.14 -0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.77 2dms h ARG 30 CO 0.22 0.39 -0.52 0.71 -1.07 0.00 0.00 179.97 179.69 2dms s TYR 31 N -4.24 3.60 1.05 3.04 1.51 -1.26 -4.98 117.35 116.06 2dms s TYR 31 Ca -0.03 -3.30 -0.14 0.00 -1.01 0.00 0.00 57.07 52.59 2dms s TYR 31 Cb 0.14 -2.78 0.21 0.00 -0.11 0.00 0.00 41.96 39.43 2dms s TYR 31 CO 0.73 -0.57 1.10 -1.25 -1.11 0.00 0.00 175.55 174.44 2dms s PRO 32 N -1.40 0.00 0.45 -1.71 0.04 -1.25 -5.07 135.00 126.05 2dms s PRO 32 Ca 0.25 0.38 0.08 0.00 0.04 0.00 0.00 61.00 61.75 2dms s PRO 32 Cb -0.06 -1.70 0.01 0.00 0.04 0.00 0.00 34.50 32.80 2dms s PRO 32 CO -0.15 -2.99 0.54 0.34 0.04 0.00 0.00 177.00 174.78 2dms s ASP 33 N -3.53 5.36 0.28 6.66 2.15 -1.26 -4.90 116.67 121.43 2dms s ASP 33 Ca 0.67 -0.61 0.02 0.00 0.43 0.00 0.00 52.55 53.05 2dms s ASP 33 Cb -0.17 -0.45 0.60 0.00 -0.30 0.00 0.00 42.92 42.60 2dms s ASP 33 CO 0.57 -0.83 1.78 -0.29 -0.17 0.00 0.00 175.17 176.24 2dms h ILE 34 N 0.69 0.75 -0.17 4.11 6.09 -1.98 0.34 117.51 127.35 2dms h ILE 34 Ca -0.39 -0.25 -0.00 0.00 -1.37 0.00 0.00 64.86 62.85 2dms h ILE 34 Cb 1.28 -0.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.52 2dms h ILE 34 CO 0.48 0.13 0.10 -0.26 -3.07 0.00 0.00 178.15 175.54 2dms h PHE 35 N 0.73 0.22 0.22 2.19 0.04 -1.99 0.11 116.94 118.47 2dms h PHE 35 Ca 0.51 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.27 2dms h PHE 35 Cb 0.70 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.78 2dms h PHE 35 CO -0.05 0.16 -0.11 0.52 -0.60 0.00 0.00 178.31 178.24 2dms h MET 36 N 0.20 -0.29 -0.68 1.51 2.86 -1.64 -1.36 114.93 115.54 2dms h MET 36 Ca 0.06 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.81 2dms h MET 36 Cb 0.01 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.67 2dms h MET 36 CO -0.01 -0.10 0.33 0.00 1.06 0.00 0.00 176.91 178.19 2dms h ARG 37 N -0.43 0.55 -0.22 1.72 3.08 -0.91 -2.01 114.38 116.16 2dms h ARG 37 Ca -0.03 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2dms h ARG 37 Cb 0.33 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2dms h ARG 37 CO 0.05 0.36 0.13 0.93 -1.07 0.00 0.00 179.97 180.37 2dms h GLU 38 N 0.56 0.29 0.10 0.04 5.08 -0.83 -1.34 114.58 118.48 2dms h GLU 38 Ca 0.33 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2dms h GLU 38 Cb 0.35 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2dms h GLU 38 CO -0.27 0.24 -0.27 1.49 -1.00 0.00 0.00 179.01 179.20 2dms h GLU 39 N 0.26 -0.40 0.10 2.33 4.81 -0.55 -0.53 114.58 120.60 2dms h GLU 39 Ca 0.08 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2dms h GLU 39 Cb 0.02 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 2dms h GLU 39 CO -0.01 -0.27 -0.46 0.28 -0.73 0.00 0.00 179.01 177.81 2dms h VAL 40 N -0.42 0.00 -0.58 0.32 2.07 -1.42 0.56 116.25 116.78 2dms h VAL 40 Ca -0.01 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.68 2dms h VAL 40 Cb 0.41 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2dms h VAL 40 CO -0.13 0.00 0.80 0.00 0.02 0.00 0.00 177.57 178.26 2dms h ALA 41 N -0.67 2.36 0.00 1.67 0.00 -1.17 1.18 119.26 122.63 2dms h ALA 41 Ca -0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 2dms h ALA 41 Cb 0.66 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2dms h ALA 41 CO -0.25 -1.10 -1.87 1.28 0.00 0.00 0.00 179.25 177.31 2dms n LEU 42 N -3.31 0.53 -0.05 0.00 4.77 0.29 -0.62 117.00 118.62 2dms n LEU 42 Ca 0.12 0.25 -0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2dms n LEU 42 Cb 1.00 0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 42.33 2dms n LEU 42 CO 0.21 0.33 -0.01 0.50 -1.33 0.00 0.00 177.39 177.09 2dms h LYS 43 N 0.00 0.00 0.00 3.23 3.64 0.63 -3.30 116.57 120.76 2dms h LYS 43 Ca -0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2dms h LYS 43 Cb 1.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.72 2dms h LYS 43 CO 0.05 0.00 0.00 0.44 -2.27 0.00 0.00 179.45 177.67 2dms n ILE 44 N -4.68 0.57 -3.07 2.00 -5.35 0.81 -4.85 119.36 104.79 2dms n ILE 44 Ca -0.00 0.14 -0.13 0.00 -0.27 0.00 0.00 62.75 62.49 2dms n ILE 44 Cb 0.01 -0.98 0.07 0.00 -1.74 0.00 0.00 39.64 36.99 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 -1.21 -3.49 -4.09 7.28 3.02 -1.23 -4.90 115.26 110.64 2dms n ASN 45 Ca 0.05 -0.53 -0.11 0.00 -0.03 0.00 0.00 54.58 53.96 2dms n ASN 45 Cb 0.06 -4.30 -0.11 0.00 -0.61 0.00 0.00 39.78 34.83 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 -5.32 2.37 0.08 3.41 1.43 0.21 -5.02 118.68 115.83 2dms s LEU 46 Ca 0.14 -0.75 -0.31 0.00 -1.03 0.00 0.00 54.13 52.19 2dms s LEU 46 Cb -0.02 -0.06 -0.07 0.00 0.03 0.00 0.00 46.19 46.07 2dms s LEU 46 CO 0.60 -0.35 1.38 -2.16 0.23 0.00 0.00 176.35 176.05 2dms s PRO 47 N -2.59 4.32 0.51 1.29 0.04 -1.26 -4.26 135.00 133.05 2dms s PRO 47 Ca -0.01 2.03 0.46 0.00 0.04 0.00 0.00 61.00 63.51 2dms s PRO 47 Cb -0.03 -3.35 1.57 0.00 0.04 0.00 0.00 34.50 32.74 2dms s PRO 47 CO -0.03 -0.46 1.43 -1.91 0.04 0.00 0.00 177.00 176.06 2dms n GLU 48 N 4.35 0.00 0.46 4.56 0.00 -1.26 0.20 120.64 128.95 2dms n GLU 48 Ca 0.12 0.99 -0.19 0.00 0.00 0.00 0.00 57.16 58.08 2dms n GLU 48 Cb 0.43 -2.30 -0.09 0.00 0.00 0.00 0.00 31.44 29.48 2dms n GLU 48 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2dms h SER 49 N 0.00 -0.99 -0.89 4.31 0.87 -1.98 -2.38 113.55 112.50 2dms h SER 49 Ca 0.85 0.03 0.24 0.00 -1.23 0.00 0.00 61.79 61.68 2dms h SER 49 Cb 3.46 0.26 -0.14 0.00 -0.44 0.00 0.00 62.40 65.54 2dms h SER 49 CO -0.01 -0.66 0.32 0.03 -0.53 0.00 0.00 176.83 175.98 2dms h ARG 50 N -1.26 0.27 0.30 2.24 2.47 -0.61 0.44 114.38 118.22 2dms h ARG 50 Ca -0.12 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.58 2dms h ARG 50 Cb 0.90 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.15 2dms h ARG 50 CO 0.20 0.18 -0.23 0.28 0.56 0.00 0.00 179.97 180.95 2dms h VAL 51 N 0.28 0.51 -0.89 2.04 2.07 -1.42 0.52 116.25 119.35 2dms h VAL 51 Ca 0.57 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.14 2dms h VAL 51 Cb 1.14 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 2dms h VAL 51 CO -0.61 0.00 0.58 -0.61 0.02 0.00 0.00 177.57 176.96 2dms h GLN 52 N -0.54 1.03 0.22 1.57 5.75 -0.55 -2.67 115.11 119.94 2dms h GLN 52 Ca -0.02 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 2dms h GLN 52 Cb 0.47 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.79 2dms h GLN 52 CO -0.01 0.68 -0.11 0.28 -2.65 0.00 0.00 178.83 177.03 2dms h VAL 53 N 1.06 0.00 -0.86 2.39 2.07 -0.57 -2.78 116.25 117.56 2dms h VAL 53 Ca 0.37 -0.08 0.30 0.00 0.82 0.00 0.00 66.70 68.11 2dms h VAL 53 Cb 0.11 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.72 2dms h VAL 53 CO -0.12 0.00 0.23 1.87 0.02 0.00 0.00 177.57 179.56 2dms n TRP 54 N -3.01 0.77 -0.30 1.57 -0.00 0.14 0.23 117.44 116.84 2dms n TRP 54 Ca -0.04 1.03 -0.04 0.00 -0.00 0.00 0.00 57.50 58.45 2dms n TRP 54 Cb 0.12 -1.28 0.07 0.00 -0.00 0.00 0.00 31.31 30.22 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 1.08 -0.01 5.87 -1.00 -1.45 0.30 116.94 121.73 2dms h PHE 55 Ca 0.62 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.37 2dms h PHE 55 Cb 1.48 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.69 2dms h PHE 55 CO -0.24 0.72 -0.10 -0.22 -1.61 0.00 0.00 178.31 176.86 2dms h LYS 56 N 1.12 0.09 -0.47 1.51 3.64 0.33 -1.43 116.57 121.35 2dms h LYS 56 Ca 0.29 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2dms h LYS 56 Cb -0.04 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2dms h LYS 56 CO -0.05 0.80 0.28 -0.91 -2.27 0.00 0.00 179.45 177.29 2dms h ASN 57 N -0.60 0.55 0.28 4.20 -0.26 -0.40 0.11 115.58 119.46 2dms h ASN 57 Ca -0.01 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.69 2dms h ASN 57 Cb 0.83 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.95 2dms h ASN 57 CO 0.02 0.43 -0.14 -0.09 -1.06 0.00 0.00 177.43 176.60 2dms h ARG 58 N 0.64 -0.36 -0.79 0.81 9.65 -0.45 -3.33 114.38 120.56 2dms h ARG 58 Ca 0.17 0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.19 2dms h ARG 58 Cb -0.02 0.08 -0.08 0.00 -1.39 0.00 0.00 29.97 28.56 2dms h ARG 58 CO -0.03 -0.20 0.41 -0.09 2.80 0.00 0.00 179.97 182.86 2dms h ARG 59 N -1.08 0.64 -0.49 0.20 2.43 -1.20 0.37 114.38 115.25 2dms h ARG 59 Ca -0.04 -0.04 0.14 0.00 -0.81 0.00 0.00 59.98 59.23 2dms h ARG 59 Cb 0.34 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2dms h ARG 59 CO 0.06 0.42 0.79 0.00 -1.51 0.00 0.00 179.97 179.73 2dms h ALA 60 N 1.48 2.26 -0.83 2.80 0.00 -0.89 0.49 119.26 124.57 2dms h ALA 60 Ca 0.40 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2dms h ALA 60 Cb 0.46 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2dms h ALA 60 CO -0.30 -1.04 0.50 -0.22 0.00 0.00 0.00 179.25 178.20 2dms h LYS 61 N 0.00 1.13 -1.20 0.00 3.64 -1.03 -2.44 116.57 116.67 2dms h LYS 61 Ca 0.23 -0.10 0.35 0.00 -1.27 0.00 0.00 60.65 59.86 2dms h LYS 61 Cb 1.80 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 33.33 2dms h LYS 61 CO -0.00 0.79 1.20 0.00 -2.27 0.00 0.00 179.45 179.17 2dms h ARG 63 N 0.00 0.19 0.00 0.00 2.43 -1.63 -3.33 114.38 112.05 2dms h ARG 63 Ca 0.57 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2dms h ARG 63 Cb 2.97 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 32.64 2dms h ARG 63 CO -0.01 1.16 0.00 0.00 -1.51 0.00 0.00 179.97 179.61 2dms n GLN 64 N -3.81 0.05 -1.85 0.20 10.64 0.44 -2.78 117.38 120.27 2dms n GLN 64 Ca -0.31 0.48 -0.37 0.00 -1.83 0.00 0.00 57.00 54.97 2dms n GLN 64 Cb 0.93 -1.64 0.02 0.00 -0.86 0.00 0.00 30.24 28.68 2dms n GLN 64 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2dms n GLN 65 N -1.75 2.78 -4.09 2.61 7.27 -0.36 -4.85 117.38 118.99 2dms n GLN 65 Ca 0.01 -3.30 -0.30 0.00 0.07 0.00 0.00 57.00 53.48 2dms n GLN 65 Cb 0.06 -2.25 -0.07 0.00 2.41 0.00 0.00 30.24 30.39 2dms n GLN 65 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2dms n GLN 66 N -0.19 -0.83 -1.66 3.69 7.27 -1.12 -4.64 117.38 119.90 2dms n GLN 66 Ca 0.53 0.06 -0.64 0.00 0.07 0.00 0.00 57.00 57.02 2dms n GLN 66 Cb 0.30 -2.95 -0.09 0.00 2.41 0.00 0.00 30.24 29.91 2dms n GLN 66 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2dms n GLN 67 N -4.23 0.09 -2.12 3.69 7.27 -1.20 -4.74 117.38 116.13 2dms n GLN 67 Ca -0.26 0.03 -0.29 0.00 0.07 0.00 0.00 57.00 56.55 2dms n GLN 67 Cb 0.59 -1.54 -0.05 0.00 2.41 0.00 0.00 30.24 31.65 2dms n GLN 67 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2dms s GLN 68 N 1.98 2.69 -0.29 3.69 2.00 -1.26 -4.83 119.66 123.64 2dms s GLN 68 Ca 1.00 -0.64 -0.15 0.00 -2.00 0.00 0.00 55.36 53.57 2dms s GLN 68 Cb -1.39 -5.15 0.13 0.00 0.80 0.00 0.00 33.01 27.40 2dms s GLN 68 CO 0.72 -3.36 0.87 -1.14 -0.50 0.00 0.00 175.29 171.88 2dms s GLN 69 N 6.59 0.45 -0.28 1.67 0.74 -1.26 -5.14 119.66 122.42 2dms s GLN 69 Ca 0.67 0.91 -0.21 0.00 0.05 0.00 0.00 55.36 56.78 2dms s GLN 69 Cb -0.04 0.30 -0.01 0.00 1.10 0.00 0.00 33.01 34.36 2dms s GLN 69 CO 0.02 -0.12 0.66 -1.14 -0.55 0.00 0.00 175.29 174.16 2dms s GLN 70 N 1.92 3.99 -0.06 1.67 2.00 -1.26 -4.89 119.66 123.03 2dms s GLN 70 Ca -0.07 0.45 -0.02 0.00 -2.00 0.00 0.00 55.36 53.71 2dms s GLN 70 Cb -0.06 -3.70 -0.03 0.00 0.80 0.00 0.00 33.01 30.03 2dms s GLN 70 CO -0.17 -0.53 -0.07 0.09 -0.50 0.00 0.00 175.29 174.11 2dms n ASN 71 N 5.86 0.81 0.00 6.67 4.13 -1.26 -5.12 115.26 126.35 2dms n ASN 71 Ca -0.00 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.31 2dms n ASN 71 Cb 0.49 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.58 2dms n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dms n GLY 72 N 2.73 -1.66 0.00 7.41 0.00 -1.26 -5.17 105.19 107.24 2dms n GLY 72 Ca -0.11 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 3.17 3.58 -0.02 0.00 -1.26 -5.18 105.19 105.49 2dms n GLY 73 Ca 0.00 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 2dms n GLY 73 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dms s GLN 74 N -2.21 0.57 0.44 1.61 0.74 -1.26 -5.17 119.66 114.38 2dms s GLN 74 Ca 0.00 0.18 -0.05 0.00 0.05 0.00 0.00 55.36 55.54 2dms s GLN 74 Cb 0.00 0.27 -0.04 0.00 1.10 0.00 0.00 33.01 34.34 2dms s GLN 74 CO 0.00 -0.17 0.74 -1.54 -0.55 0.00 0.00 175.29 173.77 2dms s SER 75 N -0.99 6.31 -0.42 6.67 1.04 -1.26 -5.07 113.70 119.97 2dms s SER 75 Ca -0.01 0.87 0.04 0.00 0.48 0.00 0.00 55.95 57.34 2dms s SER 75 Cb -0.01 -2.22 0.17 0.00 0.10 0.00 0.00 66.02 64.06 2dms s SER 75 CO 0.01 -0.50 0.42 -0.83 0.98 0.00 0.00 173.24 173.32 2dms s GLY 76 N -3.93 0.40 0.87 7.32 0.00 -1.26 -5.14 107.32 105.59 2dms s GLY 76 Ca 0.47 -1.69 -0.15 0.00 0.00 0.00 0.00 44.72 43.35 2dms s GLY 76 CO 0.41 2.58 0.78 -1.55 0.00 0.00 0.00 173.10 175.31 2dms n PRO 77 N 3.21 -2.53 -4.42 2.90 -0.04 -1.26 -5.09 135.00 127.77 2dms n PRO 77 Ca 0.23 -1.24 -0.21 0.00 -0.04 0.00 0.00 63.50 62.23 2dms n PRO 77 Cb 0.48 -1.16 -0.10 0.00 -0.04 0.00 0.00 33.50 32.68 2dms n PRO 77 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dms s SER 78 N -3.60 2.84 0.54 3.54 0.01 -1.26 -5.16 113.70 110.60 2dms s SER 78 Ca 0.50 -1.14 0.05 0.00 1.31 0.00 0.00 55.95 56.68 2dms s SER 78 Cb -0.05 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.03 2dms s SER 78 CO 0.39 -0.26 0.36 -0.94 0.41 0.00 0.00 173.24 173.19 2dms s SER 79 N -3.43 4.57 0.00 2.44 1.04 -1.26 -5.36 113.70 111.70 2dms s SER 79 Ca 0.28 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.40 2dms s SER 79 Cb 0.02 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2dms s SER 79 CO 0.11 -1.09 0.27 0.61 0.98 0.00 0.00 173.24 174.13