#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 -0.11 -0.20 1.61 1.04 -1.26 -5.19 113.70 109.59 2dms s SER 2 Ca 0.00 -0.65 -0.32 0.00 0.48 0.00 0.00 55.95 55.46 2dms s SER 2 Cb 0.00 0.60 0.15 0.00 0.10 0.00 0.00 66.02 66.87 2dms s SER 2 CO 0.00 -1.15 1.19 -0.94 0.98 0.00 0.00 173.24 173.32 2dms s SER 3 N -3.08 -0.17 -0.19 7.02 1.04 -1.26 -5.19 113.70 111.88 2dms s SER 3 Ca 0.15 0.09 -0.30 0.00 0.48 0.00 0.00 55.95 56.37 2dms s SER 3 Cb -0.03 0.16 0.14 0.00 0.10 0.00 0.00 66.02 66.39 2dms s SER 3 CO 0.06 -0.22 1.07 -0.83 0.98 0.00 0.00 173.24 174.29 2dms s GLY 4 N -1.67 -0.20 0.00 7.32 0.00 -1.26 -5.11 107.32 106.40 2dms s GLY 4 Ca 0.07 2.20 0.00 0.00 0.00 0.00 0.00 44.72 46.98 2dms s GLY 4 CO -0.04 1.06 0.00 -1.26 0.00 0.00 0.00 173.10 172.85 2dms n SER 5 N 0.71 0.00 -4.08 1.64 2.88 -1.26 -5.10 113.62 108.41 2dms n SER 5 Ca -0.08 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.26 2dms n SER 5 Cb 0.58 -0.03 -0.14 0.00 -0.75 0.00 0.00 64.21 63.87 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 -3.69 1.38 -0.45 -3.46 0.01 -1.26 -5.07 113.70 101.16 2dms s SER 6 Ca 0.00 -0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.05 2dms s SER 6 Cb 0.00 -0.13 0.31 0.00 0.21 0.00 0.00 66.02 66.41 2dms s SER 6 CO 0.00 0.10 0.99 0.61 0.41 0.00 0.00 173.24 175.35 2dms n GLY 7 N 2.54 1.06 2.97 3.44 0.00 -1.26 -5.08 105.19 108.87 2dms n GLY 7 Ca -0.15 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 2dms n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dms s ARG 8 N -0.14 1.46 0.52 1.61 0.52 -1.26 -5.10 118.95 116.56 2dms s ARG 8 Ca 0.27 -1.89 -0.14 0.00 -0.52 0.00 0.00 55.73 53.45 2dms s ARG 8 Cb 0.28 -3.08 -0.12 0.00 0.52 0.00 0.00 34.95 32.55 2dms s ARG 8 CO -0.10 -0.97 -0.26 2.89 0.02 0.00 0.00 175.30 176.88 2dms n ARG 9 N 4.15 0.00 -1.54 3.54 0.00 -1.26 -4.60 116.66 116.95 2dms n ARG 9 Ca 0.04 0.00 -0.46 0.00 -0.00 0.00 0.00 57.85 57.42 2dms n ARG 9 Cb 0.41 -0.80 -0.05 0.00 -0.00 0.00 0.00 32.46 32.02 2dms n ARG 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2dms n GLU 10 N 1.44 1.64 -1.25 2.89 2.13 -1.26 -4.83 120.64 121.40 2dms n GLU 10 Ca 0.04 0.46 -0.29 0.00 0.66 0.00 0.00 57.16 58.03 2dms n GLU 10 Cb 0.40 -2.91 0.05 0.00 0.27 0.00 0.00 31.44 29.26 2dms n GLU 10 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2dms n ARG 11 N 8.42 2.40 0.01 5.31 1.74 -1.26 -4.55 116.66 128.72 2dms n ARG 11 Ca 0.34 -2.71 -0.08 0.00 -0.77 0.00 0.00 57.85 54.63 2dms n ARG 11 Cb 0.35 -2.07 -0.06 0.00 -1.02 0.00 0.00 32.46 29.67 2dms n ARG 11 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2dms h THR 12 N 1.15 0.72 0.04 0.55 2.02 -1.99 -3.38 112.91 112.01 2dms h THR 12 Ca 0.49 -1.32 -0.19 0.00 0.77 0.00 0.00 66.41 66.16 2dms h THR 12 Cb 0.77 1.30 0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2dms h THR 12 CO 1.28 0.22 -0.76 0.74 0.37 0.00 0.00 175.52 177.36 2dms h THR 13 N -0.96 1.41 -3.57 3.16 2.02 -2.01 -3.43 112.91 109.52 2dms h THR 13 Ca -0.01 -2.22 -0.67 0.00 0.77 0.00 0.00 66.41 64.28 2dms h THR 13 Cb 0.46 2.68 -0.26 0.00 -1.74 0.00 0.00 68.15 69.30 2dms h THR 13 CO 0.02 0.65 -0.65 -0.36 0.37 0.00 0.00 175.52 175.56 2dms s PHE 14 N -3.07 3.09 0.48 3.16 0.08 -1.26 -5.10 117.98 115.36 2dms s PHE 14 Ca -0.12 -0.83 0.00 0.00 0.12 0.00 0.00 56.93 56.10 2dms s PHE 14 Cb 0.04 -2.22 0.01 0.00 -0.57 0.00 0.00 43.02 40.28 2dms s PHE 14 CO 0.85 -0.51 0.70 0.95 -0.10 0.00 0.00 175.22 177.10 2dms s THR 15 N 1.52 3.66 0.20 0.64 -4.23 -1.26 -4.45 115.64 111.72 2dms s THR 15 Ca 0.04 -0.53 -0.10 0.00 -1.18 0.00 0.00 61.69 59.92 2dms s THR 15 Cb -0.16 -3.36 0.13 0.00 1.34 0.00 0.00 72.50 70.45 2dms s THR 15 CO 0.01 -0.25 1.81 0.03 -0.54 0.00 0.00 174.62 175.68 2dms h ARG 16 N 0.31 0.64 -0.04 3.99 2.47 -1.98 0.14 114.38 119.90 2dms h ARG 16 Ca -0.45 -0.04 0.03 0.00 -1.26 0.00 0.00 59.98 58.26 2dms h ARG 16 Cb 1.26 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 29.41 2dms h ARG 16 CO 0.56 0.42 -0.13 0.00 0.56 0.00 0.00 179.97 181.38 2dms h ALA 17 N 1.33 -0.12 0.08 0.04 0.00 -1.99 0.36 119.26 118.95 2dms h ALA 17 Ca 0.28 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2dms h ALA 17 Cb 0.16 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2dms h ALA 17 CO -0.17 -0.61 -0.04 1.96 0.00 0.00 0.00 179.25 180.39 2dms h GLN 18 N -0.20 -0.10 -0.92 0.00 4.20 -1.76 -2.93 115.11 113.39 2dms h GLN 18 Ca 0.06 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.85 2dms h GLN 18 Cb 0.28 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.02 2dms h GLN 18 CO -0.16 0.12 0.60 -0.07 -0.67 0.00 0.00 178.83 178.65 2dms h LEU 19 N -0.30 0.89 -0.16 1.46 3.38 -0.58 -0.85 115.31 119.15 2dms h LEU 19 Ca -0.01 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2dms h LEU 19 Cb 0.26 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2dms h LEU 19 CO 0.02 0.55 -0.15 -0.78 0.09 0.00 0.00 178.44 178.17 2dms h ASP 20 N 1.00 -0.48 0.08 -0.43 3.58 -0.10 0.17 116.42 120.25 2dms h ASP 20 Ca 0.41 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.95 2dms h ASP 20 Cb 0.29 0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2dms h ASP 20 CO -0.17 -0.19 -0.04 0.58 -2.88 0.00 0.00 179.24 176.54 2dms h VAL 21 N -0.17 1.12 -0.76 2.25 2.07 -1.26 -1.62 116.25 117.87 2dms h VAL 21 Ca 0.10 -0.71 0.14 0.00 0.82 0.00 0.00 66.70 67.05 2dms h VAL 21 Cb 0.33 1.58 -0.10 0.00 -1.52 0.00 0.00 31.29 31.58 2dms h VAL 21 CO -0.26 0.18 0.30 -0.07 0.02 0.00 0.00 177.57 177.74 2dms h LEU 22 N -0.43 0.28 -0.14 2.57 3.38 -0.97 -1.38 115.31 118.63 2dms h LEU 22 Ca -0.01 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2dms h LEU 22 Cb 0.37 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2dms h LEU 22 CO 0.02 0.10 0.01 -0.33 0.09 0.00 0.00 178.44 178.33 2dms h GLU 23 N 0.44 0.23 -0.92 1.13 5.08 -0.61 -2.29 114.58 117.65 2dms h GLU 23 Ca 0.42 -0.07 0.19 0.00 -1.00 0.00 0.00 59.36 58.90 2dms h GLU 23 Cb 0.64 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 2dms h GLU 23 CO -0.41 0.45 0.60 0.00 -1.00 0.00 0.00 179.01 178.65 2dms h ALA 24 N 0.77 2.06 0.00 3.43 0.00 -0.30 0.34 119.26 125.57 2dms h ALA 24 Ca 0.04 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2dms h ALA 24 Cb 0.34 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2dms h ALA 24 CO 0.01 -0.36 -0.57 1.25 0.00 0.00 0.00 179.25 179.58 2dms h LEU 25 N 0.51 0.00 -0.06 0.00 5.85 -1.08 -3.05 115.31 117.47 2dms h LEU 25 Ca 0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.21 2dms h LEU 25 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2dms h LEU 25 CO -0.22 0.57 0.00 0.15 -0.34 0.00 0.00 178.44 178.60 2dms h PHE 26 N 0.00 0.00 0.00 1.25 3.57 0.18 -1.06 116.94 120.88 2dms h PHE 26 Ca -0.01 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 2dms h PHE 26 Cb 1.27 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 2dms h PHE 26 CO 0.00 0.00 -0.83 0.00 -2.23 0.00 0.00 178.31 175.25 2dms h ALA 27 N 2.08 0.67 0.04 2.41 0.00 -1.00 -3.34 119.26 120.13 2dms h ALA 27 Ca 0.00 -0.38 -0.38 0.00 0.00 0.00 0.00 54.91 54.16 2dms h ALA 27 Cb 0.93 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2dms h ALA 27 CO 0.00 0.44 -2.21 0.36 0.00 0.00 0.00 179.25 177.84 2dms n LYS 28 N -2.95 0.66 -3.52 0.00 2.85 -1.16 -4.89 118.16 109.14 2dms n LYS 28 Ca -0.02 0.25 -0.23 0.00 -1.05 0.00 0.00 58.31 57.26 2dms n LYS 28 Cb 0.68 -1.60 -0.14 0.00 -0.65 0.00 0.00 35.03 33.33 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 -2.51 -0.20 0.35 0.58 -1.32 -0.41 -5.01 115.64 107.11 2dms s THR 29 Ca -0.31 -0.40 0.07 0.00 -1.21 0.00 0.00 61.69 59.84 2dms s THR 29 Cb 0.09 -0.81 0.31 0.00 -1.51 0.00 0.00 72.50 70.59 2dms s THR 29 CO 0.63 -0.44 1.88 0.03 -2.21 0.00 0.00 174.62 174.51 2dms h ARG 30 N 8.36 0.73 -3.13 7.08 3.08 -1.76 -3.23 114.38 125.51 2dms h ARG 30 Ca -0.17 -0.04 -0.63 0.00 0.07 0.00 0.00 59.98 59.21 2dms h ARG 30 Cb 1.09 -0.16 -0.41 0.00 0.08 0.00 0.00 29.97 30.57 2dms h ARG 30 CO 0.34 0.48 -0.53 0.71 -1.07 0.00 0.00 179.97 179.90 2dms s TYR 31 N -5.72 3.58 0.25 3.04 1.51 -1.26 -4.95 117.35 113.80 2dms s TYR 31 Ca -0.10 -3.30 -0.30 0.00 -1.01 0.00 0.00 57.07 52.36 2dms s TYR 31 Cb 0.22 -2.77 -0.09 0.00 -0.11 0.00 0.00 41.96 39.20 2dms s TYR 31 CO 0.79 -0.58 1.27 -1.25 -1.11 0.00 0.00 175.55 174.67 2dms s PRO 32 N -1.37 4.43 1.40 -1.71 0.04 -1.22 -5.02 135.00 131.55 2dms s PRO 32 Ca 0.24 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 63.10 2dms s PRO 32 Cb -0.06 -3.16 0.36 0.00 0.04 0.00 0.00 34.50 31.67 2dms s PRO 32 CO -0.15 -0.15 0.97 -0.51 0.04 0.00 0.00 177.00 177.20 2dms s ASP 33 N -0.09 -0.87 0.20 6.66 1.01 -1.26 -4.71 116.67 117.62 2dms s ASP 33 Ca 0.52 0.70 -0.09 0.00 0.71 0.00 0.00 52.55 54.39 2dms s ASP 33 Cb -0.36 -0.95 0.13 0.00 1.01 0.00 0.00 42.92 42.74 2dms s ASP 33 CO 0.42 -5.23 1.76 -0.29 0.21 0.00 0.00 175.17 172.05 2dms h ILE 34 N -3.33 1.25 0.03 0.77 -0.00 -2.00 -2.52 117.51 111.72 2dms h ILE 34 Ca -0.41 -0.77 0.02 0.00 -0.00 0.00 0.00 64.86 63.70 2dms h ILE 34 Cb 1.32 0.40 -0.02 0.00 -0.00 0.00 0.00 36.82 38.52 2dms h ILE 34 CO 0.26 0.31 -0.12 -0.26 -0.00 0.00 0.00 178.15 178.34 2dms h PHE 35 N 1.04 -0.32 -0.30 2.19 0.04 -2.00 -1.16 116.94 116.44 2dms h PHE 35 Ca 0.24 0.01 0.05 0.00 2.80 0.00 0.00 57.97 61.07 2dms h PHE 35 Cb 0.20 0.14 -0.05 0.00 2.20 0.00 0.00 35.95 38.44 2dms h PHE 35 CO 0.02 -0.19 -0.00 0.52 -0.60 0.00 0.00 178.31 178.06 2dms h MET 36 N -0.22 0.08 -0.72 1.51 2.86 -1.87 -1.87 114.93 114.70 2dms h MET 36 Ca 0.03 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2dms h MET 36 Cb 0.26 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.84 2dms h MET 36 CO -0.10 0.06 0.38 0.00 1.06 0.00 0.00 176.91 178.31 2dms h ARG 37 N 0.09 0.65 0.14 1.72 3.08 -1.16 -2.32 114.38 116.59 2dms h ARG 37 Ca 0.14 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.16 2dms h ARG 37 Cb 0.19 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2dms h ARG 37 CO -0.24 0.43 -0.19 0.93 -1.07 0.00 0.00 179.97 179.83 2dms h GLU 38 N 0.67 -0.37 0.05 0.04 5.08 -0.45 0.12 114.58 119.73 2dms h GLU 38 Ca 0.34 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.74 2dms h GLU 38 Cb 0.29 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2dms h GLU 38 CO -0.23 -0.24 -0.46 1.49 -1.00 0.00 0.00 179.01 178.56 2dms h GLU 39 N -0.38 -0.60 0.44 2.33 4.57 -0.93 0.38 114.58 120.39 2dms h GLU 39 Ca 0.01 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 2dms h GLU 39 Cb 0.38 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 2dms h GLU 39 CO -0.08 -0.40 -0.50 0.28 -1.18 0.00 0.00 179.01 177.14 2dms h VAL 40 N -0.62 0.00 -1.33 0.32 2.07 -1.36 0.36 116.25 115.70 2dms h VAL 40 Ca 0.00 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.91 2dms h VAL 40 Cb 0.64 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 2dms h VAL 40 CO -0.28 0.00 0.98 0.00 0.02 0.00 0.00 177.57 178.29 2dms h ALA 41 N -0.89 3.25 0.00 1.67 0.00 -0.61 1.30 119.26 123.99 2dms h ALA 41 Ca -0.05 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 2dms h ALA 41 Cb 0.84 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2dms h ALA 41 CO -0.09 -1.67 -1.29 -0.07 0.00 0.00 0.00 179.25 176.12 2dms h LEU 42 N 0.00 0.00 0.00 0.00 3.38 0.35 0.26 115.31 119.30 2dms h LEU 42 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.60 2dms h LEU 42 Cb 2.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.35 2dms h LEU 42 CO -0.01 0.63 -0.05 0.50 0.09 0.00 0.00 178.44 179.61 2dms h LYS 43 N 0.00 0.00 0.00 1.13 3.64 0.56 -3.32 116.57 118.58 2dms h LYS 43 Ca -0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 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 0.06 0.00 0.00 0.44 -2.27 0.00 0.00 179.45 177.68 2dms n ILE 44 N -3.83 1.87 -2.61 2.00 -5.35 0.90 -4.82 119.36 107.53 2dms n ILE 44 Ca -0.01 0.48 -0.07 0.00 -0.27 0.00 0.00 62.75 62.88 2dms n ILE 44 Cb 0.02 -1.45 0.04 0.00 -1.74 0.00 0.00 39.64 36.51 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 -1.52 -2.04 -4.15 7.28 2.85 -1.20 -4.75 115.26 111.72 2dms n ASN 45 Ca 0.00 -0.26 -0.13 0.00 -0.11 0.00 0.00 54.58 54.08 2dms n ASN 45 Cb 0.02 -2.44 -0.11 0.00 1.24 0.00 0.00 39.78 38.49 2dms n ASN 45 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2dms s LEU 46 N -3.83 2.41 0.17 1.20 1.43 0.90 -5.02 118.68 115.93 2dms s LEU 46 Ca 0.00 -0.82 -0.30 0.00 -1.03 0.00 0.00 54.13 51.98 2dms s LEU 46 Cb -0.00 -0.21 -0.08 0.00 0.03 0.00 0.00 46.19 45.93 2dms s LEU 46 CO 0.31 -0.31 1.32 -2.16 0.23 0.00 0.00 176.35 175.74 2dms s PRO 47 N -2.86 4.38 0.55 1.29 0.04 -1.26 -4.20 135.00 132.93 2dms s PRO 47 Ca 0.04 2.04 0.47 0.00 0.04 0.00 0.00 61.00 63.59 2dms s PRO 47 Cb -0.02 -3.22 1.70 0.00 0.04 0.00 0.00 34.50 33.00 2dms s PRO 47 CO -0.01 -0.30 1.61 1.49 0.04 0.00 0.00 177.00 179.83 2dms h GLU 48 N 5.83 0.00 0.66 4.56 4.22 -1.89 0.23 114.58 128.19 2dms h GLU 48 Ca -0.44 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 58.97 2dms h GLU 48 Cb 1.21 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.47 2dms h GLU 48 CO 0.80 0.00 -0.32 0.77 -2.18 0.00 0.00 179.01 178.09 2dms h SER 49 N 0.00 -0.75 -0.76 1.04 0.02 -1.98 -2.53 113.55 108.60 2dms h SER 49 Ca 0.89 -0.01 0.17 0.00 -0.84 0.00 0.00 61.79 61.99 2dms h SER 49 Cb 3.50 0.19 -0.11 0.00 0.14 0.00 0.00 62.40 66.12 2dms h SER 49 CO -0.05 -0.40 0.21 0.03 -1.14 0.00 0.00 176.83 175.49 2dms h ARG 50 N -1.11 0.29 0.12 3.45 2.47 -0.91 -0.51 114.38 118.18 2dms h ARG 50 Ca -0.09 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.63 2dms h ARG 50 Cb 0.71 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.93 2dms h ARG 50 CO 0.15 0.19 -0.29 0.28 0.56 0.00 0.00 179.97 180.86 2dms h VAL 51 N 0.30 0.37 0.12 2.04 2.07 -1.44 0.15 116.25 119.86 2dms h VAL 51 Ca 0.43 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.97 2dms h VAL 51 Cb 0.74 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2dms h VAL 51 CO -0.50 0.00 -0.21 -0.61 0.02 0.00 0.00 177.57 176.27 2dms h GLN 52 N -0.51 -0.39 0.05 1.57 5.75 -0.85 -2.95 115.11 117.79 2dms h GLN 52 Ca 0.03 0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.58 2dms h GLN 52 Cb 0.54 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.12 2dms h GLN 52 CO -0.17 -0.26 -0.51 0.28 -2.65 0.00 0.00 178.83 175.53 2dms h VAL 53 N -0.40 0.04 -0.95 2.39 2.07 -0.92 -0.78 116.25 117.69 2dms h VAL 53 Ca 0.02 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.93 2dms h VAL 53 Cb 0.42 0.04 -0.17 0.00 -1.52 0.00 0.00 31.29 30.06 2dms h VAL 53 CO -0.11 0.00 0.48 1.87 0.02 0.00 0.00 177.57 179.83 2dms n TRP 54 N -5.47 1.08 0.14 1.57 -0.00 0.02 -0.19 117.44 114.59 2dms n TRP 54 Ca -0.07 1.12 -0.11 0.00 -0.00 0.00 0.00 57.50 58.44 2dms n TRP 54 Cb 0.40 -1.51 -0.07 0.00 -0.00 0.00 0.00 31.31 30.14 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 -0.39 -0.74 5.87 -1.00 -1.02 -0.57 116.94 119.10 2dms h PHE 55 Ca 0.79 -0.01 0.16 0.00 2.81 0.00 0.00 57.97 61.72 2dms h PHE 55 Cb 2.08 0.13 -0.11 0.00 3.61 0.00 0.00 35.95 41.66 2dms h PHE 55 CO -0.04 -0.06 0.20 0.87 -1.61 0.00 0.00 178.31 177.67 2dms h LYS 56 N -0.94 0.29 0.24 1.51 1.57 0.36 0.15 116.57 119.74 2dms h LYS 56 Ca -0.04 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2dms h LYS 56 Cb 0.51 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2dms h LYS 56 CO 0.07 0.19 -0.12 -0.91 -0.57 0.00 0.00 179.45 178.12 2dms h ASN 57 N 0.30 -0.27 -0.67 0.86 4.21 -0.86 -3.03 115.58 116.11 2dms h ASN 57 Ca 0.42 -0.22 0.14 0.00 1.21 0.00 0.00 56.30 57.85 2dms h ASN 57 Cb 0.70 0.07 -0.12 0.00 -1.12 0.00 0.00 38.32 37.85 2dms h ASN 57 CO -0.49 0.11 -0.05 -0.09 -1.29 0.00 0.00 177.43 175.61 2dms h ARG 58 N -0.70 0.07 -0.28 0.81 9.65 -0.42 -0.70 114.38 122.81 2dms h ARG 58 Ca -0.03 -0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.91 2dms h ARG 58 Cb 0.48 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.98 2dms h ARG 58 CO 0.05 0.05 -0.18 0.00 2.80 0.00 0.00 179.97 182.69 2dms h ARG 59 N 0.07 -0.15 -0.71 0.20 2.47 -1.00 -1.62 114.38 113.64 2dms h ARG 59 Ca 0.35 0.01 0.16 0.00 -1.26 0.00 0.00 59.98 59.23 2dms h ARG 59 Cb 0.57 0.03 -0.11 0.00 -1.65 0.00 0.00 29.97 28.81 2dms h ARG 59 CO -0.62 -0.10 0.09 0.00 0.56 0.00 0.00 179.97 179.90 2dms h ALA 60 N 1.01 0.83 -0.34 0.04 0.00 -1.01 -2.22 119.26 117.57 2dms h ALA 60 Ca 0.15 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.29 2dms h ALA 60 Cb 0.39 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2dms h ALA 60 CO -0.38 -0.38 -0.43 -0.22 0.00 0.00 0.00 179.25 177.84 2dms h LYS 61 N 0.19 -0.28 -0.81 0.00 1.63 -0.94 -1.27 116.57 115.08 2dms h LYS 61 Ca 0.39 0.02 0.12 0.00 -0.85 0.00 0.00 60.65 60.33 2dms h LYS 61 Cb 0.67 0.06 -0.13 0.00 -0.60 0.00 0.00 32.23 32.24 2dms h LYS 61 CO -0.55 -0.19 -0.34 0.00 -3.45 0.00 0.00 179.45 174.92 2dms h ARG 63 N 0.00 0.47 0.55 0.00 9.65 -1.27 -2.80 114.38 120.98 2dms h ARG 63 Ca 0.26 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.09 2dms h ARG 63 Cb 0.46 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 2dms h ARG 63 CO -0.80 0.31 -0.35 0.37 2.80 0.00 0.00 179.97 182.31 2dms h GLN 64 N 0.48 -0.82 -5.84 0.20 4.15 0.19 -3.47 115.11 110.00 2dms h GLN 64 Ca 0.27 0.06 -0.39 0.00 0.77 0.00 0.00 58.65 59.36 2dms h GLN 64 Cb 0.26 0.19 0.14 0.00 0.21 0.00 0.00 27.48 28.27 2dms h GLN 64 CO -0.23 -0.55 -0.70 0.94 -1.93 0.00 0.00 178.83 176.36 2dms n GLN 65 N -5.48 -7.72 -4.37 1.69 7.27 -0.02 -5.00 117.38 103.74 2dms n GLN 65 Ca -0.12 0.82 -0.25 0.00 0.07 0.00 0.00 57.00 57.52 2dms n GLN 65 Cb 0.38 -5.87 -0.09 0.00 2.41 0.00 0.00 30.24 27.06 2dms n GLN 65 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2dms s GLN 66 N -6.20 1.92 1.05 3.69 0.74 -1.26 -5.12 119.66 114.47 2dms s GLN 66 Ca 0.51 -1.50 -0.21 0.00 0.05 0.00 0.00 55.36 54.22 2dms s GLN 66 Cb -0.23 -1.99 -0.03 0.00 1.10 0.00 0.00 33.01 31.86 2dms s GLN 66 CO 0.73 0.38 -0.55 1.04 -0.55 0.00 0.00 175.29 176.34 2dms n GLN 67 N -0.35 -0.73 -0.72 1.67 6.02 -1.26 -4.92 117.38 117.09 2dms n GLN 67 Ca -0.08 -0.20 -0.29 0.00 -0.01 0.00 0.00 57.00 56.42 2dms n GLN 67 Cb 0.58 -1.41 0.22 0.00 1.02 0.00 0.00 30.24 30.64 2dms n GLN 67 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2dms s GLN 68 N -2.83 -0.20 0.37 -1.09 -1.52 -1.26 -5.06 119.66 108.07 2dms s GLN 68 Ca 0.48 0.92 -0.11 0.00 -1.95 0.00 0.00 55.36 54.69 2dms s GLN 68 Cb -0.06 -1.63 0.04 0.00 -0.22 0.00 0.00 33.01 31.13 2dms s GLN 68 CO 0.68 -3.26 0.67 -0.65 -0.25 0.00 0.00 175.29 172.49 2dms s GLN 69 N -4.61 2.10 0.51 2.91 -0.21 -1.26 -5.19 119.66 113.92 2dms s GLN 69 Ca 0.67 -1.53 0.05 0.00 0.02 0.00 0.00 55.36 54.56 2dms s GLN 69 Cb -0.23 0.56 0.01 0.00 1.00 0.00 0.00 33.01 34.35 2dms s GLN 69 CO 0.62 -0.95 0.27 1.14 -2.12 0.00 0.00 175.29 174.25 2dms s GLN 70 N -2.64 2.24 0.20 2.91 1.03 -1.26 -5.06 119.66 117.09 2dms s GLN 70 Ca 0.21 -2.07 -0.12 0.00 0.04 0.00 0.00 55.36 53.42 2dms s GLN 70 Cb -0.03 -1.95 -0.00 0.00 0.03 0.00 0.00 33.01 31.05 2dms s GLN 70 CO 0.14 -0.46 0.40 1.21 -2.54 0.00 0.00 175.29 174.04 2dms s ASN 71 N -4.12 -0.07 0.00 12.60 3.84 -1.26 -5.17 114.94 120.76 2dms s ASN 71 Ca 0.29 -0.83 0.00 0.00 0.21 0.00 0.00 52.86 52.53 2dms s ASN 71 Cb -0.00 0.52 0.00 0.00 -0.55 0.00 0.00 41.25 41.22 2dms s ASN 71 CO 0.17 -1.02 0.00 0.61 -2.79 0.00 0.00 177.10 174.07 2dms n GLY 72 N -0.30 -1.83 3.44 1.21 0.00 -1.26 -5.08 105.19 101.36 2dms n GLY 72 Ca -0.05 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 2dms n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dms s GLY 73 N 0.00 -0.42 0.07 -0.02 0.00 -1.26 -5.17 107.32 100.53 2dms s GLY 73 Ca 0.00 1.64 0.07 0.00 0.00 0.00 0.00 44.72 46.43 2dms s GLY 73 CO 0.00 1.51 -0.15 1.62 0.00 0.00 0.00 173.10 176.08 2dms s GLN 74 N 0.63 2.04 0.13 2.90 2.00 -1.26 -5.13 119.66 120.96 2dms s GLN 74 Ca -0.03 -1.03 -0.22 0.00 -2.00 0.00 0.00 55.36 52.09 2dms s GLN 74 Cb -0.05 -2.22 0.06 0.00 0.80 0.00 0.00 33.01 31.60 2dms s GLN 74 CO -0.04 0.52 0.55 0.45 -0.50 0.00 0.00 175.29 176.28 2dms s SER 75 N -1.82 -0.49 0.00 6.67 0.15 -1.26 -5.07 113.70 111.88 2dms s SER 75 Ca 0.17 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2dms s SER 75 Cb -0.11 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2dms s SER 75 CO 0.09 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.25 2dms n GLY 76 N -0.17 -0.87 3.67 9.45 0.00 -1.26 -5.08 105.19 110.93 2dms n GLY 76 Ca -0.17 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.69 0.22 0.30 1.61 0.04 -1.26 -5.09 135.00 130.12 2dms s PRO 77 Ca 0.00 0.45 -0.05 0.00 0.04 0.00 0.00 61.00 61.43 2dms s PRO 77 Cb 0.00 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 2dms s PRO 77 CO 0.00 -2.86 0.43 -1.54 0.04 0.00 0.00 177.00 173.07 2dms s SER 78 N -3.48 0.51 -0.01 6.66 1.04 -1.26 -5.09 113.70 112.07 2dms s SER 78 Ca 0.66 -1.31 -0.00 0.00 0.48 0.00 0.00 55.95 55.78 2dms s SER 78 Cb -0.18 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 2dms s SER 78 CO 0.58 -1.19 -0.01 -1.54 0.98 0.00 0.00 173.24 172.05 2dms n SER 79 N -0.95 1.18 0.00 7.02 3.41 -1.26 -5.32 113.62 117.70 2dms n SER 79 Ca 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2dms n SER 79 Cb 0.62 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2dms n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49