#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 -5.14 -3.71 1.61 2.88 -1.26 -4.99 113.62 103.02 2dms n SER 2 Ca 0.00 -0.65 -0.16 0.00 -1.33 0.00 0.00 58.87 56.73 2dms n SER 2 Cb 0.00 -4.54 -0.15 0.00 -0.75 0.00 0.00 64.21 58.76 2dms n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dms s SER 3 N -3.46 0.39 -0.06 -3.46 1.04 -1.26 -5.07 113.70 101.82 2dms s SER 3 Ca 0.54 0.28 -0.07 0.00 0.48 0.00 0.00 55.95 57.18 2dms s SER 3 Cb -0.25 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 2dms s SER 3 CO 0.77 -0.20 0.30 1.23 0.98 0.00 0.00 173.24 176.32 2dms h GLY 4 N 7.85 -0.25 -5.14 7.32 0.00 -2.09 -3.46 103.07 107.31 2dms h GLY 4 Ca -0.27 0.09 -0.67 0.00 0.00 0.00 0.00 47.33 46.48 2dms h GLY 4 CO 0.28 -0.09 -0.62 -0.45 0.00 0.00 0.00 176.54 175.65 2dms s SER 5 N -4.94 5.25 0.06 0.19 0.15 -1.26 -5.12 113.70 108.02 2dms s SER 5 Ca -0.04 0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.73 2dms s SER 5 Cb 0.00 -1.45 -0.03 0.00 -1.71 0.00 0.00 66.02 62.84 2dms s SER 5 CO 0.11 0.34 -0.06 -0.55 1.20 0.00 0.00 173.24 174.27 2dms s SER 6 N -1.18 0.81 0.90 5.45 0.15 -1.26 -5.16 113.70 113.40 2dms s SER 6 Ca 0.16 -0.72 -0.14 0.00 0.70 0.00 0.00 55.95 55.95 2dms s SER 6 Cb -0.11 0.08 0.15 0.00 -1.71 0.00 0.00 66.02 64.42 2dms s SER 6 CO 0.06 -0.34 1.26 -0.83 1.20 0.00 0.00 173.24 174.59 2dms s GLY 7 N -2.13 1.70 -0.26 9.45 0.00 -1.26 -5.04 107.32 109.77 2dms s GLY 7 Ca -0.03 -0.95 -0.15 0.00 0.00 0.00 0.00 44.72 43.59 2dms s GLY 7 CO -0.02 -0.31 -0.23 0.54 0.00 0.00 0.00 173.10 173.07 2dms n ARG 8 N -3.58 0.59 -3.53 2.90 1.74 -1.26 -4.96 116.66 108.57 2dms n ARG 8 Ca 0.12 0.32 -0.22 0.00 -0.77 0.00 0.00 57.85 57.31 2dms n ARG 8 Cb 0.60 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 30.46 2dms n ARG 8 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2dms n ARG 9 N -4.27 -1.87 -1.58 5.56 3.00 -1.26 -4.76 116.66 111.49 2dms n ARG 9 Ca -0.50 0.08 -0.48 0.00 -0.01 0.00 0.00 57.85 56.94 2dms n ARG 9 Cb 0.85 -4.62 -0.03 0.00 0.00 0.00 0.00 32.46 28.66 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 -3.29 1.23 -4.42 5.56 4.07 -1.26 -4.99 120.64 117.54 2dms n GLU 10 Ca 0.06 0.44 -0.21 0.00 -0.06 0.00 0.00 57.16 57.39 2dms n GLU 10 Cb 0.48 -1.91 -0.10 0.00 -0.06 0.00 0.00 31.44 29.84 2dms n GLU 10 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 2dms s ARG 11 N -0.62 1.57 -0.19 5.31 3.03 -1.26 -5.11 118.95 121.68 2dms s ARG 11 Ca 0.70 -1.84 -0.29 0.00 2.03 0.00 0.00 55.73 56.32 2dms s ARG 11 Cb -0.81 -0.87 -0.01 0.00 -1.03 0.00 0.00 34.95 32.23 2dms s ARG 11 CO 0.54 -0.13 1.27 0.95 -1.13 0.00 0.00 175.30 176.80 2dms s THR 12 N -3.27 4.26 -0.21 4.99 -4.23 -1.26 -4.89 115.64 111.03 2dms s THR 12 Ca 0.34 1.50 0.04 0.00 -1.18 0.00 0.00 61.69 62.39 2dms s THR 12 Cb 0.07 -4.03 -0.21 0.00 1.34 0.00 0.00 72.50 69.68 2dms s THR 12 CO 0.14 -0.20 -0.00 0.41 -0.54 0.00 0.00 174.62 174.42 2dms n THR 13 N 5.53 1.54 -3.05 3.99 -1.04 -1.26 -4.95 114.28 115.04 2dms n THR 13 Ca 0.14 -0.65 -0.35 0.00 -2.04 0.00 0.00 64.05 61.14 2dms n THR 13 Cb 0.45 -1.29 -0.06 0.00 -1.82 0.00 0.00 70.33 67.61 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 -2.53 3.58 0.02 -1.42 0.08 -1.26 -5.08 117.98 111.38 2dms s PHE 14 Ca -0.26 1.42 0.06 0.00 0.12 0.00 0.00 56.93 58.27 2dms s PHE 14 Cb 0.08 -2.66 -0.02 0.00 -0.57 0.00 0.00 43.02 39.85 2dms s PHE 14 CO 0.69 0.25 -0.18 -0.08 -0.10 0.00 0.00 175.22 175.80 2dms s THR 15 N -1.66 1.44 0.26 0.64 -1.32 -1.26 -4.98 115.64 108.76 2dms s THR 15 Ca 0.47 -0.98 0.06 0.00 -1.21 0.00 0.00 61.69 60.03 2dms s THR 15 Cb -0.15 -1.24 0.32 0.00 -1.51 0.00 0.00 72.50 69.92 2dms s THR 15 CO 0.20 0.23 1.27 -1.14 -2.21 0.00 0.00 174.62 172.97 2dms n ARG 16 N 2.16 -0.06 0.39 7.08 3.00 -1.26 0.41 116.66 128.38 2dms n ARG 16 Ca -0.16 1.18 -0.18 0.00 -0.00 0.00 0.00 57.85 58.68 2dms n ARG 16 Cb 0.54 -1.94 -0.09 0.00 0.00 0.00 0.00 32.46 30.96 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 1.61 -0.97 -0.09 5.13 0.00 -2.00 0.17 119.26 123.11 2dms h ALA 17 Ca 0.55 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.26 2dms h ALA 17 Cb 1.24 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 2dms h ALA 17 CO -0.72 -1.04 -0.03 1.96 0.00 0.00 0.00 179.25 179.42 2dms h GLN 18 N -0.99 -0.01 0.38 0.00 4.20 -0.36 -3.04 115.11 115.30 2dms h GLN 18 Ca -0.10 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2dms h GLN 18 Cb 0.75 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 2dms h GLN 18 CO 0.16 -0.01 -0.51 -0.07 -0.67 0.00 0.00 178.83 177.74 2dms h LEU 19 N -0.01 -1.44 -0.78 1.46 3.38 -0.54 -1.48 115.31 115.90 2dms h LEU 19 Ca 0.05 0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.30 2dms h LEU 19 Cb 0.08 0.49 -0.15 0.00 0.09 0.00 0.00 40.66 41.17 2dms h LEU 19 CO -0.10 -0.63 -0.20 -0.67 0.09 0.00 0.00 178.44 176.93 2dms n ASP 20 N -5.54 -0.29 -0.03 -0.43 -0.08 0.04 0.97 116.55 111.19 2dms n ASP 20 Ca -0.11 1.34 -0.12 0.00 -1.51 0.00 0.00 54.79 54.39 2dms n ASP 20 Cb 0.45 -0.40 -0.06 0.00 2.34 0.00 0.00 41.12 43.44 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 1.21 -0.46 5.18 2.07 -1.33 -0.91 116.25 122.02 2dms h VAL 21 Ca 0.37 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 67.28 2dms h VAL 21 Cb 0.56 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 2dms h VAL 21 CO -0.80 0.20 0.11 -0.07 0.02 0.00 0.00 177.57 177.03 2dms h LEU 22 N -0.02 0.04 0.05 2.57 3.38 0.16 -2.20 115.31 119.30 2dms h LEU 22 Ca 0.04 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2dms h LEU 22 Cb 0.29 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2dms h LEU 22 CO 0.00 0.05 -0.02 -0.33 0.09 0.00 0.00 178.44 178.23 2dms h GLU 23 N 0.25 -0.06 -1.15 1.13 3.07 -0.53 -1.53 114.58 115.75 2dms h GLU 23 Ca 0.23 0.00 0.33 0.00 -0.50 0.00 0.00 59.36 59.42 2dms h GLU 23 Cb 0.28 0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 28.11 2dms h GLU 23 CO -0.28 0.15 0.76 0.00 -1.40 0.00 0.00 179.01 178.24 2dms h ALA 24 N 0.67 2.51 0.00 3.43 0.00 -0.76 0.94 119.26 126.05 2dms h ALA 24 Ca -0.01 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2dms h ALA 24 Cb 0.24 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2dms h ALA 24 CO 0.01 -0.98 -0.99 1.25 0.00 0.00 0.00 179.25 178.54 2dms h LEU 25 N 0.25 0.00 0.00 0.00 5.85 -1.12 -3.12 115.31 117.16 2dms h LEU 25 Ca 0.66 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.38 2dms h LEU 25 Cb 1.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.98 2dms h LEU 25 CO -0.29 0.74 -0.19 0.33 -0.34 0.00 0.00 178.44 178.68 2dms n PHE 26 N -3.18 0.47 0.05 1.25 7.35 0.28 -1.77 117.46 121.90 2dms n PHE 26 Ca -0.03 0.14 0.10 0.00 -0.76 0.00 0.00 57.45 56.89 2dms n PHE 26 Cb 0.86 -0.67 -0.08 0.00 0.35 0.00 0.00 39.48 39.94 2dms n PHE 26 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dms n ALA 27 N -1.68 2.57 -0.11 3.13 0.00 0.14 -4.32 120.51 120.24 2dms n ALA 27 Ca 0.05 -0.40 -0.24 0.00 0.00 0.00 0.00 53.44 52.85 2dms n ALA 27 Cb 0.39 -0.92 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 2dms n ALA 27 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2dms n LYS 28 N -2.52 0.63 -3.76 0.00 2.85 -1.18 -4.90 118.16 109.27 2dms n LYS 28 Ca -0.03 0.27 -0.28 0.00 -1.05 0.00 0.00 58.31 57.22 2dms n LYS 28 Cb 0.60 -1.57 -0.16 0.00 -0.65 0.00 0.00 35.03 33.25 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 -2.50 0.71 0.50 0.58 -1.32 -0.73 -4.99 115.64 107.89 2dms s THR 29 Ca -0.34 -0.77 0.15 0.00 -1.21 0.00 0.00 61.69 59.51 2dms s THR 29 Cb 0.11 -1.23 0.26 0.00 -1.51 0.00 0.00 72.50 70.13 2dms s THR 29 CO 0.57 -0.27 2.13 0.03 -2.21 0.00 0.00 174.62 174.88 2dms h ARG 30 N 8.18 0.06 -2.84 7.08 2.47 -1.78 -3.30 114.38 124.25 2dms h ARG 30 Ca -0.16 -0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 57.95 2dms h ARG 30 Cb 1.10 -0.01 -0.41 0.00 -1.65 0.00 0.00 29.97 29.00 2dms h ARG 30 CO 0.37 0.05 -0.72 0.71 0.56 0.00 0.00 179.97 180.94 2dms s TYR 31 N -5.08 2.63 0.60 3.04 2.02 -1.26 -5.01 117.35 114.29 2dms s TYR 31 Ca -0.05 -2.94 -0.17 0.00 -0.37 0.00 0.00 57.07 53.53 2dms s TYR 31 Cb 0.17 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.65 2dms s TYR 31 CO 0.68 -0.66 1.12 -1.25 -1.57 0.00 0.00 175.55 173.87 2dms s PRO 32 N -0.82 3.06 0.78 -1.71 0.04 -1.24 -5.05 135.00 130.06 2dms s PRO 32 Ca 0.27 1.49 -0.06 0.00 0.04 0.00 0.00 61.00 62.74 2dms s PRO 32 Cb -0.03 -1.98 0.13 0.00 0.04 0.00 0.00 34.50 32.67 2dms s PRO 32 CO -0.16 -1.06 1.08 0.34 0.04 0.00 0.00 177.00 177.24 2dms s ASP 33 N -2.20 4.10 0.34 6.66 2.15 -1.26 -4.82 116.67 121.63 2dms s ASP 33 Ca 0.70 -0.05 0.06 0.00 0.43 0.00 0.00 52.55 53.69 2dms s ASP 33 Cb -0.22 -0.29 0.73 0.00 -0.30 0.00 0.00 42.92 42.84 2dms s ASP 33 CO 0.35 -2.05 1.89 -0.29 -0.17 0.00 0.00 175.17 174.90 2dms h ILE 34 N -0.84 0.91 0.05 4.11 6.09 -1.99 -1.14 117.51 124.71 2dms h ILE 34 Ca -0.40 -0.27 -0.00 0.00 -1.37 0.00 0.00 64.86 62.82 2dms h ILE 34 Cb 1.27 0.05 0.00 0.00 0.47 0.00 0.00 36.82 38.61 2dms h ILE 34 CO 0.43 0.14 -0.02 -0.26 -3.07 0.00 0.00 178.15 175.37 2dms h PHE 35 N 0.79 -0.06 0.27 2.19 0.04 -1.99 0.14 116.94 118.32 2dms h PHE 35 Ca 0.42 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.18 2dms h PHE 35 Cb 0.54 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.71 2dms h PHE 35 CO -0.00 0.01 -0.13 0.52 -0.60 0.00 0.00 178.31 178.11 2dms h MET 36 N -0.12 -0.35 -0.39 1.51 2.86 -1.74 -1.20 114.93 115.51 2dms h MET 36 Ca -0.01 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 2dms h MET 36 Cb 0.10 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 2dms h MET 36 CO 0.01 -0.21 0.14 0.00 1.06 0.00 0.00 176.91 177.91 2dms h ARG 37 N -0.39 0.30 0.16 1.72 3.08 -1.19 -2.32 114.38 115.75 2dms h ARG 37 Ca -0.04 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.01 2dms h ARG 37 Cb 0.29 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2dms h ARG 37 CO 0.06 0.20 -0.27 0.93 -1.07 0.00 0.00 179.97 179.82 2dms h GLU 38 N 0.31 -0.49 -0.09 0.04 5.08 -0.57 -0.03 114.58 118.84 2dms h GLU 38 Ca 0.18 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 2dms h GLU 38 Cb 0.15 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2dms h GLU 38 CO -0.17 -0.32 -0.28 1.49 -1.00 0.00 0.00 179.01 178.72 2dms h GLU 39 N -0.50 -0.28 -0.03 2.33 4.57 -0.96 0.20 114.58 119.92 2dms h GLU 39 Ca 0.02 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2dms h GLU 39 Cb 0.51 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.10 2dms h GLU 39 CO -0.12 -0.19 -0.54 0.28 -1.18 0.00 0.00 179.01 177.27 2dms h VAL 40 N -0.29 0.01 -1.31 0.32 2.07 -1.36 0.51 116.25 116.20 2dms h VAL 40 Ca 0.02 0.00 0.38 0.00 0.82 0.00 0.00 66.70 67.92 2dms h VAL 40 Cb 0.34 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 2dms h VAL 40 CO -0.23 0.00 0.96 0.00 0.02 0.00 0.00 177.57 178.31 2dms h ALA 41 N -0.38 3.24 0.00 1.67 0.00 -0.75 1.25 119.26 124.29 2dms h ALA 41 Ca 0.02 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2dms h ALA 41 Cb 0.72 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2dms h ALA 41 CO -0.37 -1.63 -1.27 -0.07 0.00 0.00 0.00 179.25 175.91 2dms h LEU 42 N 0.00 0.00 0.00 0.00 3.38 0.13 0.18 115.31 119.01 2dms h LEU 42 Ca 0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.59 2dms h LEU 42 Cb 2.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.28 2dms h LEU 42 CO -0.01 0.50 -0.07 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 0.61 -3.32 116.57 118.62 2dms h LYS 43 Ca -0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2dms h LYS 43 Cb 1.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 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 -4.08 1.80 -2.61 2.00 -5.35 1.00 -4.83 119.36 107.30 2dms n ILE 44 Ca -0.01 0.45 -0.07 0.00 -0.27 0.00 0.00 62.75 62.85 2dms n ILE 44 Cb 0.04 -1.41 0.04 0.00 -1.74 0.00 0.00 39.64 36.57 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 -1.50 -2.11 -4.10 7.28 2.85 -1.21 -4.79 115.26 111.68 2dms n ASN 45 Ca 0.01 -0.27 -0.11 0.00 -0.11 0.00 0.00 54.58 54.09 2dms n ASN 45 Cb 0.03 -2.52 -0.11 0.00 1.24 0.00 0.00 39.78 38.43 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 -3.90 2.38 0.19 1.20 1.43 0.63 -5.03 118.68 115.58 2dms s LEU 46 Ca 0.01 -0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 52.04 2dms s LEU 46 Cb -0.00 -0.07 -0.09 0.00 0.03 0.00 0.00 46.19 46.06 2dms s LEU 46 CO 0.32 -0.35 1.31 -2.16 0.23 0.00 0.00 176.35 175.69 2dms s PRO 47 N -2.69 4.39 0.47 1.29 0.04 -1.26 -4.21 135.00 133.04 2dms s PRO 47 Ca -0.00 2.04 0.35 0.00 0.04 0.00 0.00 61.00 63.43 2dms s PRO 47 Cb -0.02 -3.20 1.51 0.00 0.04 0.00 0.00 34.50 32.82 2dms s PRO 47 CO -0.03 -0.25 1.62 1.49 0.04 0.00 0.00 177.00 179.87 2dms h GLU 48 N 5.43 0.06 0.71 4.56 4.22 -1.90 0.20 114.58 127.85 2dms h GLU 48 Ca -0.45 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 58.96 2dms h GLU 48 Cb 1.21 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.46 2dms h GLU 48 CO 0.77 0.04 -0.34 0.77 -2.18 0.00 0.00 179.01 178.07 2dms h SER 49 N 0.06 -0.81 -0.94 1.04 0.02 -1.98 -0.78 113.55 110.16 2dms h SER 49 Ca 0.83 0.03 0.19 0.00 -0.84 0.00 0.00 61.79 62.00 2dms h SER 49 Cb 2.83 0.21 -0.08 0.00 0.14 0.00 0.00 62.40 65.50 2dms h SER 49 CO -0.30 -0.57 0.60 0.03 -1.14 0.00 0.00 176.83 175.45 2dms h ARG 50 N -0.96 0.52 0.32 3.45 2.47 -0.98 -1.14 114.38 118.06 2dms h ARG 50 Ca -0.10 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.58 2dms h ARG 50 Cb 0.74 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 2dms h ARG 50 CO 0.16 0.35 -0.15 0.28 0.56 0.00 0.00 179.97 181.16 2dms h VAL 51 N 0.54 0.66 -0.59 2.04 2.07 -1.12 -1.67 116.25 118.18 2dms h VAL 51 Ca 0.50 -0.60 0.11 0.00 0.82 0.00 0.00 66.70 67.53 2dms h VAL 51 Cb 1.06 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 31.70 2dms h VAL 51 CO -0.24 0.11 0.12 -0.61 0.02 0.00 0.00 177.57 176.98 2dms h GLN 52 N -0.78 0.25 0.59 1.57 4.15 -0.38 -2.48 115.11 118.03 2dms h GLN 52 Ca -0.04 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 2dms h GLN 52 Cb 0.51 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.15 2dms h GLN 52 CO 0.07 0.16 -0.28 0.28 -1.93 0.00 0.00 178.83 177.13 2dms h VAL 53 N 0.25 0.42 -1.76 2.39 2.07 -1.25 -2.37 116.25 116.00 2dms h VAL 53 Ca 0.31 -0.01 0.52 0.00 0.82 0.00 0.00 66.70 68.34 2dms h VAL 53 Cb 0.45 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 2dms h VAL 53 CO -0.40 0.00 1.25 1.87 0.02 0.00 0.00 177.57 180.32 2dms n TRP 54 N -5.43 0.11 0.03 1.57 -0.00 -0.63 -0.50 117.44 112.59 2dms n TRP 54 Ca -0.13 0.11 -0.02 0.00 -0.00 0.00 0.00 57.50 57.46 2dms n TRP 54 Cb 0.33 -0.57 -0.01 0.00 -0.00 0.00 0.00 31.31 31.06 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 -0.14 -0.54 5.87 -1.00 -1.29 -3.00 116.94 116.84 2dms h PHE 55 Ca 0.87 -0.00 0.16 0.00 2.81 0.00 0.00 57.97 61.80 2dms h PHE 55 Cb 3.40 0.05 -0.02 0.00 3.61 0.00 0.00 35.95 42.98 2dms h PHE 55 CO -0.00 -0.09 0.75 1.57 -1.61 0.00 0.00 178.31 178.93 2dms h LYS 56 N -0.73 0.00 0.00 1.51 2.10 -0.59 0.24 116.57 119.11 2dms h LYS 56 Ca -0.02 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2dms h LYS 56 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2dms h LYS 56 CO 0.03 0.00 -0.00 -0.91 -2.00 0.00 0.00 179.45 176.56 2dms h ASN 57 N 0.00 -0.00 0.45 7.07 4.21 -1.19 -3.10 115.58 123.01 2dms h ASN 57 Ca 0.26 -0.76 -0.02 0.00 1.21 0.00 0.00 56.30 56.98 2dms h ASN 57 Cb 1.75 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.96 2dms h ASN 57 CO -0.00 0.76 -0.21 0.03 -1.29 0.00 0.00 177.43 176.72 2dms h ARG 58 N -0.78 -0.58 -0.96 0.81 2.47 -0.48 -3.28 114.38 111.58 2dms h ARG 58 Ca -0.00 0.04 0.18 0.00 -1.26 0.00 0.00 59.98 58.93 2dms h ARG 58 Cb 0.76 0.13 -0.17 0.00 -1.65 0.00 0.00 29.97 29.04 2dms h ARG 58 CO 0.00 -0.31 -0.30 -0.09 0.56 0.00 0.00 179.97 179.84 2dms h ARG 59 N -1.08 -0.01 -0.93 0.04 2.43 -1.12 0.35 114.38 114.07 2dms h ARG 59 Ca -0.06 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 59.32 2dms h ARG 59 Cb 0.54 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 29.91 2dms h ARG 59 CO 0.10 -0.00 -0.14 0.00 -1.51 0.00 0.00 179.97 178.42 2dms h ALA 60 N 1.72 0.78 -0.95 2.80 0.00 -1.60 0.12 119.26 122.13 2dms h ALA 60 Ca 0.41 0.35 0.16 0.00 0.00 0.00 0.00 54.91 55.83 2dms h ALA 60 Cb 0.66 0.65 -0.16 0.00 0.00 0.00 0.00 17.79 18.95 2dms h ALA 60 CO -0.98 -0.44 -0.36 -0.22 0.00 0.00 0.00 179.25 177.25 2dms h LYS 61 N 0.01 -0.02 -0.99 0.00 1.63 -0.39 0.53 116.57 117.36 2dms h LYS 61 Ca 0.49 0.00 0.32 0.00 -0.85 0.00 0.00 60.65 60.61 2dms h LYS 61 Cb 0.84 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.29 2dms h LYS 61 CO -0.93 -0.01 0.24 0.00 -3.45 0.00 0.00 179.45 175.30 2dms h ARG 63 N 0.03 -0.01 -0.58 0.00 2.43 -0.04 -3.25 114.38 112.97 2dms h ARG 63 Ca 0.69 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.96 2dms h ARG 63 Cb 1.59 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 31.06 2dms h ARG 63 CO -0.84 0.49 0.12 0.37 -1.51 0.00 0.00 179.97 178.60 2dms h GLN 64 N -0.51 0.25 -5.38 0.20 -0.00 0.11 -3.41 115.11 106.37 2dms h GLN 64 Ca -0.00 -0.01 -0.56 0.00 -0.00 0.00 0.00 58.65 58.07 2dms h GLN 64 Cb 0.50 -0.06 -0.06 0.00 0.00 0.00 0.00 27.48 27.87 2dms h GLN 64 CO 0.00 0.16 1.63 0.94 0.00 0.00 0.00 178.83 181.56 2dms n GLN 65 N -5.13 0.27 -1.28 1.69 7.27 0.43 -4.80 117.38 115.83 2dms n GLN 65 Ca 0.08 0.03 -0.39 0.00 0.07 0.00 0.00 57.00 56.79 2dms n GLN 65 Cb 0.30 -1.89 0.02 0.00 2.41 0.00 0.00 30.24 31.09 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 8.36 0.10 -3.67 3.69 -0.06 -1.26 -1.84 117.38 122.70 2dms n GLN 66 Ca 0.57 0.04 -0.27 0.00 -2.00 0.00 0.00 57.00 55.34 2dms n GLN 66 Cb 0.11 -1.15 0.04 0.00 -4.06 0.00 0.00 30.24 25.18 2dms n GLN 66 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2dms n GLN 67 N 1.21 -6.01 -0.77 3.69 6.02 -1.26 -4.96 117.38 115.29 2dms n GLN 67 Ca 0.08 0.69 -0.30 0.00 -0.01 0.00 0.00 57.00 57.47 2dms n GLN 67 Cb 0.48 -5.62 0.25 0.00 1.02 0.00 0.00 30.24 26.37 2dms n GLN 67 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2dms s GLN 68 N -6.38 -1.70 -0.08 -1.09 0.00 -0.77 -4.99 119.66 104.65 2dms s GLN 68 Ca 0.58 0.15 -0.20 0.00 -0.00 0.00 0.00 55.36 55.89 2dms s GLN 68 Cb -0.28 -1.52 -0.29 0.00 0.00 0.00 0.00 33.01 30.92 2dms s GLN 68 CO 0.72 -4.07 0.73 1.96 0.00 0.00 0.00 175.29 174.62 2dms h GLN 69 N -2.85 0.24 -5.66 9.60 4.20 -1.88 -3.44 115.11 115.32 2dms h GLN 69 Ca -0.47 -0.41 -0.61 0.00 0.06 0.00 0.00 58.65 57.21 2dms h GLN 69 Cb 1.32 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 29.14 2dms h GLN 69 CO 0.36 1.20 0.30 -1.14 -0.67 0.00 0.00 178.83 178.88 2dms s GLN 70 N -2.43 3.96 0.01 1.46 2.00 -1.26 -5.05 119.66 118.35 2dms s GLN 70 Ca -0.17 0.50 0.00 0.00 -2.00 0.00 0.00 55.36 53.69 2dms s GLN 70 Cb 0.02 -3.72 -0.04 0.00 0.80 0.00 0.00 33.01 30.07 2dms s GLN 70 CO 0.79 -0.62 0.09 1.21 -0.50 0.00 0.00 175.29 176.25 2dms s ASN 71 N 1.60 5.70 0.07 6.67 2.47 -1.26 -4.96 114.94 125.23 2dms s ASN 71 Ca 0.30 0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.71 2dms s ASN 71 Cb -0.15 -1.63 0.00 0.00 -1.45 0.00 0.00 41.25 38.02 2dms s ASN 71 CO 0.12 0.25 0.00 0.61 -3.72 0.00 0.00 177.10 174.36 2dms n GLY 72 N 1.04 0.89 0.00 1.21 0.00 -1.26 -5.08 105.19 101.98 2dms n GLY 72 Ca -0.12 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 1.28 3.56 -0.02 0.00 -1.26 -4.87 105.19 103.87 2dms n GLY 73 Ca 0.00 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 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 -5.07 2.55 0.18 1.61 1.11 -1.26 -4.95 119.66 113.83 2dms s GLN 74 Ca 0.00 0.12 0.00 0.00 0.01 0.00 0.00 55.36 55.50 2dms s GLN 74 Cb 0.00 -4.78 -0.04 0.00 -1.01 0.00 0.00 33.01 27.19 2dms s GLN 74 CO 0.00 -3.14 0.35 -1.54 0.01 0.00 0.00 175.29 170.96 2dms s SER 75 N 8.21 6.37 0.00 5.90 1.04 -1.26 -5.12 113.70 128.84 2dms s SER 75 Ca 0.70 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.44 2dms s SER 75 Cb -0.09 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.05 2dms s SER 75 CO 0.09 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.91 2dms n GLY 76 N -0.59 6.28 0.00 7.32 0.00 -1.26 -4.98 105.19 111.96 2dms n GLY 76 Ca -0.06 -2.04 0.06 0.00 0.00 0.00 0.00 46.02 43.98 2dms n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dms n PRO 77 N -0.01 0.49 -3.14 1.61 -0.04 -1.26 -4.50 135.00 128.14 2dms n PRO 77 Ca 0.00 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.01 2dms n PRO 77 Cb 0.00 -1.36 -0.04 0.00 -0.04 0.00 0.00 33.50 32.06 2dms n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dms s SER 78 N -1.86 6.34 0.00 3.54 0.15 -1.26 -4.77 113.70 115.84 2dms s SER 78 Ca 0.17 -1.75 -0.01 0.00 0.70 0.00 0.00 55.95 55.06 2dms s SER 78 Cb 0.08 -2.29 -0.00 0.00 -1.71 0.00 0.00 66.02 62.09 2dms s SER 78 CO 0.13 -1.00 -0.02 -1.20 1.20 0.00 0.00 173.24 172.35 2dms n SER 79 N 5.88 0.23 0.00 5.45 7.64 -1.26 -5.11 113.62 126.46 2dms n SER 79 Ca -0.02 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2dms n SER 79 Cb 0.44 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2dms n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64